#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtf s ARG 8 N 0.00 4.51 0.43 -3.83 6.06 -1.26 -5.02 118.95 119.85 2jtf s ARG 8 Ca 0.00 1.09 -0.23 0.00 -2.50 0.00 0.00 55.73 54.09 2jtf s ARG 8 Cb 0.00 -3.27 -0.11 0.00 0.06 0.00 0.00 34.95 31.63 2jtf s ARG 8 CO 0.00 0.54 0.85 -0.35 -2.50 0.00 0.00 175.30 173.84 2jtf n PRO 9 N 1.79 1.05 0.00 5.12 -0.04 -1.26 -4.80 135.00 136.85 2jtf n PRO 9 Ca -0.06 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2jtf n PRO 9 Cb 0.49 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 1.39 -0.82 3.48 0.55 0.00 -1.23 -4.31 105.19 104.25 2jtf n GLY 10 Ca 0.11 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.03 0.00 1.37 -0.61 5.41 -1.09 -4.19 119.36 120.23 2jtf n ILE 11 Ca 0.00 -0.25 0.13 0.00 1.00 0.00 0.00 62.75 63.63 2jtf n ILE 11 Cb 0.00 -1.28 0.46 0.00 -0.71 0.00 0.00 39.64 38.11 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 7.51 0.00 -1.80 1.39 -1.04 -1.08 -3.98 114.28 115.27 2jtf n THR 12 Ca 0.54 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.05 62.21 2jtf n THR 12 Cb 0.19 0.41 -0.04 0.00 -1.82 0.00 0.00 70.33 69.07 2jtf n THR 12 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2jtf n PHE 13 N -0.31 -0.30 -5.17 -1.42 3.72 -1.26 -5.00 117.46 107.73 2jtf n PHE 13 Ca 0.15 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.24 2jtf n PHE 13 Cb 0.35 -3.00 -0.15 0.00 -0.94 0.00 0.00 39.48 35.74 2jtf n PHE 13 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2jtf s GLU 14 N -3.93 2.15 -0.08 -1.08 0.41 -1.26 -5.07 118.70 109.84 2jtf s GLU 14 Ca 0.00 -0.91 -0.30 0.00 -0.41 0.00 0.00 54.97 53.36 2jtf s GLU 14 Cb 0.00 -2.10 -0.04 0.00 -1.78 0.00 0.00 34.13 30.21 2jtf s GLU 14 CO 0.00 0.57 1.48 0.42 -0.49 0.00 0.00 175.26 177.23 2jtf s ILE 15 N -0.67 3.83 0.00 -1.63 1.09 -1.26 -1.31 121.20 121.26 2jtf s ILE 15 Ca 0.11 1.05 0.00 0.00 -1.10 0.00 0.00 60.65 60.71 2jtf s ILE 15 Cb -0.10 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.62 2jtf s ILE 15 CO -0.00 -0.08 0.00 0.61 -0.10 0.00 0.00 174.94 175.37 2jtf n GLY 16 N 3.87 1.20 3.95 6.18 0.00 0.86 -5.01 105.19 116.23 2jtf n GLY 16 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.21 3.59 0.44 4.61 0.00 -0.42 -4.77 121.76 122.99 2jtf s ALA 17 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2jtf s ALA 17 Cb 0.00 -2.31 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 2jtf s ALA 17 CO 0.00 -0.73 0.65 1.03 0.00 0.00 0.00 175.76 176.71 2jtf s ARG 18 N -4.83 3.05 0.13 0.00 0.52 -1.26 0.06 118.95 116.62 2jtf s ARG 18 Ca 0.54 -0.57 -0.07 0.00 -0.52 0.00 0.00 55.73 55.11 2jtf s ARG 18 Cb -0.10 -2.59 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 2jtf s ARG 18 CO 0.41 -0.24 0.20 -0.48 0.02 0.00 0.00 175.30 175.21 2jtf s LEU 19 N -4.51 1.32 -0.23 2.53 -0.00 0.15 -2.64 118.68 115.30 2jtf s LEU 19 Ca 0.48 -0.85 -0.09 0.00 -0.00 0.00 0.00 54.13 53.67 2jtf s LEU 19 Cb -0.10 0.96 -0.05 0.00 -0.00 0.00 0.00 46.19 47.00 2jtf s LEU 19 CO 0.37 -0.80 0.13 -1.61 -0.00 0.00 0.00 176.35 174.44 2jtf s GLU 20 N -3.94 4.01 0.10 1.48 2.02 -0.69 0.27 118.70 121.96 2jtf s GLU 20 Ca 0.13 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 54.90 2jtf s GLU 20 Cb 0.05 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2jtf s GLU 20 CO -0.04 0.09 -0.20 0.00 0.02 0.00 0.00 175.26 175.13 2jtf s ALA 21 N 0.93 1.76 -0.62 5.21 0.00 -0.44 0.66 121.76 129.26 2jtf s ALA 21 Ca 0.06 -1.24 -0.15 0.00 0.00 0.00 0.00 51.96 50.64 2jtf s ALA 21 Cb -0.13 -0.23 0.16 0.00 0.00 0.00 0.00 23.12 22.92 2jtf s ALA 21 CO 0.03 0.33 0.57 -1.17 0.00 0.00 0.00 175.76 175.52 2jtf s LEU 22 N -1.94 6.30 0.70 0.00 0.20 0.16 -0.75 118.68 123.35 2jtf s LEU 22 Ca 0.06 -2.09 -0.10 0.00 0.69 0.00 0.00 54.13 52.70 2jtf s LEU 22 Cb -0.10 -2.19 0.03 0.00 -0.43 0.00 0.00 46.19 43.51 2jtf s LEU 22 CO 0.04 -0.75 1.06 1.51 -0.29 0.00 0.00 176.35 177.92 2jtf s ASP 23 N 3.05 5.23 0.00 3.68 -4.77 -0.26 -4.76 116.67 118.83 2jtf s ASP 23 Ca 0.08 0.90 0.05 0.00 -3.30 0.00 0.00 52.55 50.27 2jtf s ASP 23 Cb -0.24 -1.66 0.30 0.00 -1.09 0.00 0.00 42.92 40.23 2jtf s ASP 23 CO -0.01 -1.41 0.67 0.00 0.70 0.00 0.00 175.17 175.12 2jtf n TYR 24 N -2.96 0.00 1.34 2.11 4.11 -1.26 0.11 117.16 120.61 2jtf n TYR 24 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.10 2jtf n TYR 24 Cb 0.58 0.00 0.39 0.00 -0.00 0.00 0.00 39.34 40.31 2jtf n TYR 24 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2jtf n LEU 25 N -0.79 1.96 -1.63 -3.48 7.99 -1.26 -4.91 117.00 114.88 2jtf n LEU 25 Ca 0.04 -0.65 -0.07 0.00 -0.01 0.00 0.00 56.01 55.31 2jtf n LEU 25 Cb 0.02 -0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.35 2jtf n LEU 25 CO 0.03 0.33 0.07 0.00 -1.51 0.00 0.00 177.39 176.30 2jtf n GLN 26 N 0.53 -2.54 -4.00 3.23 3.00 0.31 -5.02 117.38 112.89 2jtf n GLN 26 Ca 0.17 0.28 -0.29 0.00 -0.01 0.00 0.00 57.00 57.15 2jtf n GLN 26 Cb 0.43 -3.64 -0.17 0.00 0.00 0.00 0.00 30.24 26.87 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 -5.12 2.15 -1.18 -1.09 -0.14 -0.85 -4.90 119.74 108.60 2jtf s LYS 27 Ca 0.13 -0.51 -0.20 0.00 -1.36 0.00 0.00 55.97 54.03 2jtf s LYS 27 Cb -0.06 -2.02 0.06 0.00 -1.68 0.00 0.00 37.83 34.13 2jtf s LYS 27 CO 0.25 -0.25 1.62 -1.58 -0.76 0.00 0.00 175.35 174.63 2jtf s TRP 28 N 1.53 2.67 0.22 3.18 0.52 -1.24 -1.11 118.94 124.71 2jtf s TRP 28 Ca 0.05 -1.28 0.09 0.00 0.02 0.00 0.00 56.10 54.98 2jtf s TRP 28 Cb -0.13 -4.73 -0.04 0.00 -1.15 0.00 0.00 33.47 27.42 2jtf s TRP 28 CO -0.10 -1.86 -0.07 1.52 0.02 0.00 0.00 176.95 176.46 2jtf s TYR 29 N 4.61 2.63 -0.70 -1.98 1.13 0.07 -4.80 117.35 118.31 2jtf s TYR 29 Ca 0.51 -0.23 -0.27 0.00 -1.41 0.00 0.00 57.07 55.67 2jtf s TYR 29 Cb 0.02 -1.23 0.03 0.00 -1.10 0.00 0.00 41.96 39.68 2jtf s TYR 29 CO 0.01 0.57 1.32 -1.25 -2.51 0.00 0.00 175.55 173.68 2jtf s PRO 30 N -3.18 3.20 0.54 -3.49 0.05 -1.26 -1.33 135.00 129.53 2jtf s PRO 30 Ca 0.28 -0.08 0.04 0.00 0.05 0.00 0.00 61.00 61.29 2jtf s PRO 30 Cb -0.08 -4.17 0.05 0.00 0.05 0.00 0.00 34.50 30.35 2jtf s PRO 30 CO 0.17 -2.12 0.75 -1.12 0.05 0.00 0.00 177.00 174.73 2jtf s SER 31 N 4.00 5.22 0.19 6.66 0.01 0.14 -4.81 113.70 125.11 2jtf s SER 31 Ca 0.39 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.44 2jtf s SER 31 Cb -0.08 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 2jtf s SER 31 CO 0.17 -1.17 0.03 -0.13 0.41 0.00 0.00 173.24 172.55 2jtf s ARG 32 N -4.70 2.48 -0.26 12.44 0.52 0.37 0.33 118.95 130.14 2jtf s ARG 32 Ca 0.59 -1.11 -0.12 0.00 -0.52 0.00 0.00 55.73 54.56 2jtf s ARG 32 Cb -0.09 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 2jtf s ARG 32 CO 0.38 0.44 0.25 0.42 0.02 0.00 0.00 175.30 176.81 2jtf s ILE 33 N -1.83 5.28 -0.61 1.52 1.01 0.11 0.71 121.20 127.40 2jtf s ILE 33 Ca 0.29 0.33 0.12 0.00 0.00 0.00 0.00 60.65 61.38 2jtf s ILE 33 Cb -0.09 -3.58 -0.11 0.00 0.01 0.00 0.00 42.46 38.68 2jtf s ILE 33 CO 0.20 0.26 0.52 -1.84 0.00 0.00 0.00 174.94 174.07 2jtf n GLU 34 N 4.81 3.03 -3.64 2.79 0.28 -0.60 -0.10 120.64 127.22 2jtf n GLU 34 Ca -0.12 -0.07 -0.10 0.00 -0.16 0.00 0.00 57.16 56.71 2jtf n GLU 34 Cb 0.52 -1.06 -0.07 0.00 1.43 0.00 0.00 31.44 32.26 2jtf n GLU 34 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2jtf s LYS 35 N -2.05 0.57 -0.05 3.44 2.36 -1.26 -4.86 119.74 117.89 2jtf s LYS 35 Ca 0.05 0.68 0.05 0.00 -2.55 0.00 0.00 55.97 54.20 2jtf s LYS 35 Cb 0.09 0.28 -0.02 0.00 -1.05 0.00 0.00 37.83 37.13 2jtf s LYS 35 CO 0.46 -0.07 -0.22 0.42 1.55 0.00 0.00 175.35 177.50 2jtf s ILE 36 N 0.27 2.36 -0.46 5.43 1.01 -1.26 -0.24 121.20 128.31 2jtf s ILE 36 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2jtf s ILE 36 Cb -0.05 -1.88 0.13 0.00 0.01 0.00 0.00 42.46 40.67 2jtf s ILE 36 CO -0.05 0.57 0.23 -0.62 0.00 0.00 0.00 174.94 175.08 2jtf s ASP 37 N -0.34 3.95 0.00 3.58 -1.08 0.87 -4.93 116.67 118.71 2jtf s ASP 37 Ca 0.02 -2.71 0.28 0.00 -0.52 0.00 0.00 52.55 49.62 2jtf s ASP 37 Cb -0.12 -1.27 1.02 0.00 -1.46 0.00 0.00 42.92 41.09 2jtf s ASP 37 CO 0.02 -0.26 1.76 0.00 0.52 0.00 0.00 175.17 177.20 2jtf n TYR 38 N 3.46 0.00 -0.07 -5.34 0.18 -1.26 0.33 117.16 114.47 2jtf n TYR 38 Ca 0.07 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.72 2jtf n TYR 38 Cb 0.34 -0.31 -0.06 0.00 -0.38 0.00 0.00 39.34 38.93 2jtf n TYR 38 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2jtf h GLU 39 N 0.21 0.38 0.13 -3.48 4.57 -1.92 -3.23 114.58 111.24 2jtf h GLU 39 Ca 0.00 -0.16 -0.29 0.00 -1.18 0.00 0.00 59.36 57.73 2jtf h GLU 39 Cb 0.45 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2jtf h GLU 39 CO 0.00 0.68 -1.46 1.49 -1.18 0.00 0.00 179.01 178.54 2jtf h GLU 40 N 0.08 0.27 -0.16 1.92 4.57 -1.99 -3.49 114.58 115.78 2jtf h GLU 40 Ca 0.04 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2jtf h GLU 40 Cb 0.56 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2jtf h GLU 40 CO 0.03 1.22 0.00 0.41 -1.18 0.00 0.00 179.01 179.49 2jtf n GLY 41 N 1.76 0.66 3.20 1.92 0.00 0.14 -5.05 105.19 107.82 2jtf n GLY 41 Ca -0.25 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 2jtf n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtf s LYS 42 N -0.42 1.00 0.10 1.61 -2.85 0.15 -2.93 119.74 116.39 2jtf s LYS 42 Ca 0.00 -1.46 0.02 0.00 -1.00 0.00 0.00 55.97 53.53 2jtf s LYS 42 Cb 0.00 -0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.58 2jtf s LYS 42 CO 0.00 -0.12 -0.07 0.00 0.10 0.00 0.00 175.35 175.25 2jtf s MET 43 N -3.92 0.82 -0.69 1.78 0.23 0.20 -0.09 119.30 117.64 2jtf s MET 43 Ca 0.20 -1.27 -0.24 0.00 -1.03 0.00 0.00 55.69 53.36 2jtf s MET 43 Cb 0.06 -0.29 0.06 0.00 -1.53 0.00 0.00 34.83 33.13 2jtf s MET 43 CO 0.01 0.01 1.07 -1.17 -2.03 0.00 0.00 175.02 172.91 2jtf s LEU 44 N -2.84 3.98 -0.43 0.18 1.98 0.67 -1.35 118.68 120.87 2jtf s LEU 44 Ca 0.09 -0.81 -0.27 0.00 -2.89 0.00 0.00 54.13 50.25 2jtf s LEU 44 Cb 0.03 -2.47 0.02 0.00 0.66 0.00 0.00 46.19 44.43 2jtf s LEU 44 CO -0.03 -1.57 1.02 0.54 -1.89 0.00 0.00 176.35 174.41 2jtf s VAL 45 N 4.62 4.40 -0.65 1.68 0.11 0.21 -1.56 120.40 129.22 2jtf s VAL 45 Ca 0.26 1.12 -0.23 0.00 -2.93 0.00 0.00 61.98 60.21 2jtf s VAL 45 Cb -0.14 -4.47 0.06 0.00 -1.53 0.00 0.00 36.38 30.30 2jtf s VAL 45 CO 0.12 -0.80 0.98 -2.28 -3.33 0.00 0.00 175.10 169.79 2jtf s HIS 46 N 3.94 2.67 -2.05 1.54 2.46 0.22 -1.35 115.29 122.73 2jtf s HIS 46 Ca 0.42 -0.43 0.13 0.00 0.47 0.00 0.00 55.06 55.65 2jtf s HIS 46 Cb -0.10 -4.27 0.64 0.00 -0.13 0.00 0.00 32.58 28.72 2jtf s HIS 46 CO 0.25 -1.63 1.43 1.19 -2.47 0.00 0.00 174.74 173.52 2jtf n PHE 47 N 7.77 0.09 -1.58 3.88 3.01 -1.26 -0.48 117.46 128.89 2jtf n PHE 47 Ca -0.03 -0.04 -0.10 0.00 1.01 0.00 0.00 57.45 58.29 2jtf n PHE 47 Cb 0.46 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 2jtf n PHE 47 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2jtf n GLU 48 N -0.38 -0.75 -2.28 -1.08 -0.58 -1.26 -4.02 120.64 110.30 2jtf n GLU 48 Ca 0.10 0.75 -0.02 0.00 -0.42 0.00 0.00 57.16 57.56 2jtf n GLU 48 Cb 0.11 -4.72 -0.02 0.00 -0.57 0.00 0.00 31.44 26.24 2jtf n GLU 48 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jtf n ARG 49 N -2.47 -2.81 -1.68 3.49 1.74 -1.26 -4.86 116.66 108.81 2jtf n ARG 49 Ca -0.11 2.32 -0.42 0.00 -0.77 0.00 0.00 57.85 58.87 2jtf n ARG 49 Cb 0.42 -3.86 -0.02 0.00 -1.02 0.00 0.00 32.46 27.98 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 0.86 3.14 0.00 -1.55 4.27 -1.18 -4.83 117.44 118.15 2jtf n TRP 50 Ca -0.16 -2.55 0.00 0.00 -3.89 0.00 0.00 57.50 50.90 2jtf n TRP 50 Cb 0.25 -2.33 0.00 0.00 -1.36 0.00 0.00 31.31 27.88 2jtf n TRP 50 CO 0.00 0.00 0.00 0.43 -2.29 0.00 0.00 177.69 175.83 2jtf n SER 51 N 7.19 0.00 -0.04 -0.67 7.64 -1.26 -3.29 113.62 123.20 2jtf n SER 51 Ca 0.51 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.37 2jtf n SER 51 Cb 0.41 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 2jtf n SER 51 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2jtf h HIS 52 N 0.00 0.00 -4.38 1.43 -0.00 -2.03 -3.47 115.15 106.70 2jtf h HIS 52 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.88 2jtf h HIS 52 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 27.50 2jtf h HIS 52 CO 0.00 0.00 0.38 -0.98 -0.00 0.00 0.00 177.93 177.33 2jtf s ARG 53 N -1.63 2.56 0.16 5.26 1.70 -1.21 -5.07 118.95 120.73 2jtf s ARG 53 Ca -0.05 0.58 0.02 0.00 -0.47 0.00 0.00 55.73 55.81 2jtf s ARG 53 Cb 0.01 -1.98 0.02 0.00 -0.57 0.00 0.00 34.95 32.43 2jtf s ARG 53 CO 0.08 -1.27 0.17 0.66 -1.08 0.00 0.00 175.30 173.85 2jtf n TYR 54 N -3.19 -1.91 -1.97 5.89 4.01 -1.26 -3.08 117.16 115.65 2jtf n TYR 54 Ca 0.07 -0.66 -0.40 0.00 -0.16 0.00 0.00 57.90 56.75 2jtf n TYR 54 Cb 0.56 -0.14 -0.00 0.00 -0.31 0.00 0.00 39.34 39.45 2jtf n TYR 54 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jtf s ASP 55 N -1.99 6.29 0.07 7.72 1.01 -1.26 -4.70 116.67 123.81 2jtf s ASP 55 Ca 0.13 2.78 0.03 0.00 0.71 0.00 0.00 52.55 56.19 2jtf s ASP 55 Cb -0.01 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 2jtf s ASP 55 CO 0.08 -0.87 -0.09 -0.70 0.21 0.00 0.00 175.17 173.80 2jtf s GLU 56 N -2.19 0.70 -0.30 8.23 2.12 -0.45 -4.95 118.70 121.84 2jtf s GLU 56 Ca 0.56 -1.00 -0.24 0.00 0.36 0.00 0.00 54.97 54.66 2jtf s GLU 56 Cb -0.41 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 33.60 2jtf s GLU 56 CO 0.53 0.06 0.79 -1.58 -0.54 0.00 0.00 175.26 174.52 2jtf s TRP 57 N -2.11 3.21 0.03 5.30 0.52 -1.26 -0.62 118.94 124.01 2jtf s TRP 57 Ca -0.01 0.83 -0.02 0.00 0.02 0.00 0.00 56.10 56.92 2jtf s TRP 57 Cb -0.05 -3.22 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2jtf s TRP 57 CO -0.01 -0.56 0.01 0.42 0.02 0.00 0.00 176.95 176.84 2jtf s ILE 58 N 2.96 0.13 0.51 2.03 1.01 -0.46 -4.94 121.20 122.46 2jtf s ILE 58 Ca 0.33 -1.11 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 2jtf s ILE 58 Cb -0.14 -0.67 -0.08 0.00 0.01 0.00 0.00 42.46 41.58 2jtf s ILE 58 CO 0.12 -0.61 1.00 -0.31 0.00 0.00 0.00 174.94 175.14 2jtf s TYR 59 N -2.20 3.32 0.15 3.97 2.02 -1.26 -0.63 117.35 122.72 2jtf s TYR 59 Ca -0.09 1.50 -0.31 0.00 -0.37 0.00 0.00 57.07 57.80 2jtf s TYR 59 Cb -0.04 -2.86 -0.09 0.00 -0.40 0.00 0.00 41.96 38.57 2jtf s TYR 59 CO -0.03 -0.49 1.52 1.67 -1.57 0.00 0.00 175.55 176.65 2jtf s TRP 60 N -2.49 3.09 -1.15 2.71 -2.14 -1.15 -2.91 118.94 114.89 2jtf s TRP 60 Ca 0.61 0.70 -0.11 0.00 2.66 0.00 0.00 56.10 59.96 2jtf s TRP 60 Cb -0.11 -3.86 0.10 0.00 -3.10 0.00 0.00 33.47 26.50 2jtf s TRP 60 CO 0.29 -3.15 0.40 -0.40 -2.66 0.00 0.00 176.95 171.43 2jtf n ASP 61 N 4.03 -2.63 0.13 -2.66 5.68 -1.21 -4.89 116.55 115.00 2jtf n ASP 61 Ca 0.13 -0.41 -0.05 0.00 -0.50 0.00 0.00 54.79 53.96 2jtf n ASP 61 Cb 0.40 -2.24 -0.02 0.00 -1.14 0.00 0.00 41.12 38.12 2jtf n ASP 61 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2jtf h SER 62 N -0.72 -0.28 0.00 -1.12 4.64 -1.73 -3.45 113.55 110.90 2jtf h SER 62 Ca -0.38 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2jtf h SER 62 Cb 1.25 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2jtf h SER 62 CO 0.51 -0.18 0.00 0.59 -0.87 0.00 0.00 176.83 176.87 2jtf n ASN 63 N -2.95 0.00 -2.29 4.97 3.02 -1.26 -4.90 115.26 111.85 2jtf n ASN 63 Ca -0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.18 2jtf n ASN 63 Cb 0.13 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.36 2jtf n ASN 63 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2jtf n ARG 64 N -2.01 2.88 -4.86 3.52 0.00 -1.26 -4.93 116.66 110.00 2jtf n ARG 64 Ca 0.00 -3.48 -0.27 0.00 -0.00 0.00 0.00 57.85 54.10 2jtf n ARG 64 Cb 0.00 -2.29 -0.15 0.00 -0.00 0.00 0.00 32.46 30.02 2jtf n ARG 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jtf s LEU 65 N -3.79 2.11 -0.04 2.89 2.01 -1.26 0.40 118.68 121.00 2jtf s LEU 65 Ca 0.62 -0.47 0.01 0.00 0.01 0.00 0.00 54.13 54.29 2jtf s LEU 65 Cb 0.49 -1.07 0.02 0.00 0.01 0.00 0.00 46.19 45.64 2jtf s LEU 65 CO -0.01 0.22 -0.02 -0.13 1.01 0.00 0.00 176.35 177.41 2jtf s ARG 66 N -0.88 0.61 0.00 1.70 0.52 0.21 -3.28 118.95 117.83 2jtf s ARG 66 Ca 0.08 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 2jtf s ARG 66 Cb -0.09 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.67 2jtf s ARG 66 CO 0.01 -0.11 0.00 -0.35 0.02 0.00 0.00 175.30 174.86 2jtf n PRO 67 N 4.15 3.42 -1.09 3.54 -0.04 -1.26 -1.70 135.00 142.02 2jtf n PRO 67 Ca -0.24 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 62.98 2jtf n PRO 67 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 2jtf n PRO 67 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2jtf n LEU 68 N 0.00 6.59 -1.82 1.53 7.94 -1.26 -2.68 117.00 127.30 2jtf n LEU 68 Ca 0.00 -3.60 -0.09 0.00 -1.11 0.00 0.00 56.01 51.22 2jtf n LEU 68 Cb 0.00 -1.42 -0.02 0.00 0.53 0.00 0.00 43.42 42.51 2jtf n LEU 68 CO 0.00 1.73 -0.10 -1.84 -1.11 0.00 0.00 177.39 176.08 2jtf n GLU 69 N 3.08 -1.79 -0.60 1.96 0.28 -1.26 -4.86 120.64 117.45 2jtf n GLU 69 Ca 0.57 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 58.05 2jtf n GLU 69 Cb 0.55 -4.83 0.00 0.00 1.43 0.00 0.00 31.44 28.59 2jtf n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51