#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 1.93 -1.04 -3.83 1.81 -1.26 -5.03 118.95 111.52 2jtf s ARG 8 Ca 0.00 -2.32 -0.16 0.00 -1.72 0.00 0.00 55.73 51.52 2jtf s ARG 8 Cb 0.00 -3.38 0.15 0.00 -0.45 0.00 0.00 34.95 31.28 2jtf s ARG 8 CO 0.00 -1.07 1.23 -1.25 -0.68 0.00 0.00 175.30 173.53 2jtf s PRO 9 N 0.22 3.81 0.00 3.54 0.05 -1.26 -4.28 135.00 137.07 2jtf s PRO 9 Ca 0.14 -2.15 0.00 0.00 0.05 0.00 0.00 61.00 59.04 2jtf s PRO 9 Cb -0.23 -4.94 0.00 0.00 0.05 0.00 0.00 34.50 29.38 2jtf s PRO 9 CO -0.03 -1.73 0.00 0.41 0.05 0.00 0.00 177.00 175.69 2jtf n GLY 10 N 4.82 2.79 3.53 0.56 0.00 -0.27 -4.30 105.19 112.32 2jtf n GLY 10 Ca 0.28 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.06 -0.03 1.11 -0.61 5.41 -1.21 -4.08 119.36 118.88 2jtf n ILE 11 Ca 0.00 -0.56 0.10 0.00 1.00 0.00 0.00 62.75 63.29 2jtf n ILE 11 Cb 0.00 -2.15 0.33 0.00 -0.71 0.00 0.00 39.64 37.11 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 7.82 0.27 -1.38 1.39 -1.04 -1.26 -4.20 114.28 115.87 2jtf n THR 12 Ca 0.44 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 2jtf n THR 12 Cb 0.39 0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 69.23 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 0.42 0.00 -4.88 -1.42 7.35 -1.26 -4.98 117.46 112.69 2jtf n PHE 13 Ca 0.16 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.58 2jtf n PHE 13 Cb 0.34 -2.47 -0.15 0.00 0.35 0.00 0.00 39.48 37.55 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 -3.07 1.57 -0.05 -4.13 2.02 -1.26 -4.99 118.70 108.80 2jtf s GLU 14 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.88 2jtf s GLU 14 Cb 0.00 -1.58 -0.05 0.00 0.10 0.00 0.00 34.13 32.60 2jtf s GLU 14 CO 0.00 0.42 1.54 0.42 0.02 0.00 0.00 175.26 177.66 2jtf s ILE 15 N -0.59 3.68 0.00 -1.63 1.01 -1.26 -1.39 121.20 121.01 2jtf s ILE 15 Ca 0.08 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2jtf s ILE 15 Cb -0.08 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2jtf s ILE 15 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.49 2jtf n GLY 16 N 3.93 0.57 3.86 6.18 0.00 0.30 -5.00 105.19 115.03 2jtf n GLY 16 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 3.09 -0.31 4.61 0.00 -0.49 -4.76 121.76 121.91 2jtf s ALA 17 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 2jtf s ALA 17 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 2jtf s ALA 17 CO 0.00 -0.53 0.15 1.03 0.00 0.00 0.00 175.76 176.41 2jtf s ARG 18 N -4.78 3.36 0.33 0.00 3.00 -1.26 -0.32 118.95 119.28 2jtf s ARG 18 Ca 0.56 -0.70 0.09 0.00 0.00 0.00 0.00 55.73 55.68 2jtf s ARG 18 Cb -0.11 -3.56 -0.05 0.00 0.00 0.00 0.00 34.95 31.24 2jtf s ARG 18 CO 0.46 -0.40 0.08 -0.48 0.00 0.00 0.00 175.30 174.95 2jtf s LEU 19 N 1.62 3.17 -0.17 2.53 -0.00 0.11 -1.12 118.68 124.82 2jtf s LEU 19 Ca 0.05 -0.81 -0.18 0.00 -0.00 0.00 0.00 54.13 53.19 2jtf s LEU 19 Cb -0.17 -1.63 -0.04 0.00 -0.00 0.00 0.00 46.19 44.36 2jtf s LEU 19 CO 0.06 -0.22 0.50 -1.61 -0.00 0.00 0.00 176.35 175.08 2jtf s GLU 20 N -3.78 4.24 0.01 1.48 0.41 -0.68 0.29 118.70 120.67 2jtf s GLU 20 Ca 0.36 0.41 0.03 0.00 -0.41 0.00 0.00 54.97 55.37 2jtf s GLU 20 Cb -0.03 -3.52 -0.01 0.00 -1.78 0.00 0.00 34.13 28.79 2jtf s GLU 20 CO 0.21 -0.05 -0.11 0.00 -0.49 0.00 0.00 175.26 174.82 2jtf s ALA 21 N 1.31 0.89 -0.52 5.21 0.00 -0.38 0.27 121.76 128.54 2jtf s ALA 21 Ca 0.24 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.47 2jtf s ALA 21 Cb -0.15 -0.17 0.12 0.00 0.00 0.00 0.00 23.12 22.92 2jtf s ALA 21 CO 0.10 0.18 0.46 -1.17 0.00 0.00 0.00 175.76 175.33 2jtf s LEU 22 N -0.68 6.06 0.67 0.00 0.20 0.14 -0.42 118.68 124.65 2jtf s LEU 22 Ca 0.01 -1.77 -0.08 0.00 0.69 0.00 0.00 54.13 52.98 2jtf s LEU 22 Cb -0.06 -2.17 0.03 0.00 -0.43 0.00 0.00 46.19 43.56 2jtf s LEU 22 CO 0.00 -0.81 1.00 1.51 -0.29 0.00 0.00 176.35 177.76 2jtf s ASP 23 N 3.36 5.25 0.00 3.68 -4.77 -0.24 -4.80 116.67 119.15 2jtf s ASP 23 Ca 0.04 0.74 0.03 0.00 -3.30 0.00 0.00 52.55 50.05 2jtf s ASP 23 Cb -0.29 -1.55 0.18 0.00 -1.09 0.00 0.00 42.92 40.17 2jtf s ASP 23 CO 0.03 -1.34 0.73 0.00 0.70 0.00 0.00 175.17 175.28 2jtf n TYR 24 N -2.83 0.00 1.43 2.11 4.11 -1.26 0.14 117.16 120.85 2jtf n TYR 24 Ca 0.06 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 58.10 2jtf n TYR 24 Cb 0.59 -0.07 0.55 0.00 -0.00 0.00 0.00 39.34 40.41 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 -1.07 0.81 -1.16 -3.48 7.99 -1.26 -4.88 117.00 113.95 2jtf n LEU 25 Ca 0.02 -0.18 -0.07 0.00 -0.01 0.00 0.00 56.01 55.77 2jtf n LEU 25 Cb 0.01 -0.11 0.01 0.00 -0.11 0.00 0.00 43.42 43.22 2jtf n LEU 25 CO 0.02 0.14 -0.00 0.00 -1.51 0.00 0.00 177.39 176.04 2jtf n GLN 26 N -0.63 -1.61 -4.25 3.23 3.00 0.37 -5.01 117.38 112.47 2jtf n GLN 26 Ca 0.16 0.30 -0.34 0.00 -0.01 0.00 0.00 57.00 57.11 2jtf n GLN 26 Cb 0.30 -3.91 -0.13 0.00 0.00 0.00 0.00 30.24 26.50 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 -4.90 3.58 -0.68 -1.09 1.02 -0.86 -4.88 119.74 111.93 2jtf s LYS 27 Ca 0.10 -0.55 -0.22 0.00 0.02 0.00 0.00 55.97 55.31 2jtf s LYS 27 Cb -0.04 -2.96 0.07 0.00 -0.52 0.00 0.00 37.83 34.39 2jtf s LYS 27 CO 0.12 0.09 0.97 -1.58 -0.92 0.00 0.00 175.35 174.04 2jtf s TRP 28 N 0.75 2.70 0.13 3.18 0.52 -1.25 -1.08 118.94 123.89 2jtf s TRP 28 Ca -0.01 -0.61 0.08 0.00 0.02 0.00 0.00 56.10 55.58 2jtf s TRP 28 Cb -0.14 -4.29 -0.04 0.00 -1.15 0.00 0.00 33.47 27.85 2jtf s TRP 28 CO 0.02 -1.64 -0.18 1.52 0.02 0.00 0.00 176.95 176.69 2jtf s TYR 29 N 3.98 1.67 -0.39 -1.98 -0.85 0.44 -4.86 117.35 115.35 2jtf s TYR 29 Ca 0.23 -0.47 -0.28 0.00 -0.52 0.00 0.00 57.07 56.03 2jtf s TYR 29 Cb -0.16 -0.88 -0.02 0.00 0.38 0.00 0.00 41.96 41.28 2jtf s TYR 29 CO 0.09 0.22 1.88 -2.14 -1.52 0.00 0.00 175.55 174.09 2jtf s PRO 30 N -2.36 3.09 0.36 -3.49 0.02 -1.26 -1.25 135.00 130.11 2jtf s PRO 30 Ca 0.09 1.31 0.07 0.00 0.02 0.00 0.00 61.00 62.50 2jtf s PRO 30 Cb -0.07 -4.27 -0.01 0.00 0.02 0.00 0.00 34.50 30.16 2jtf s PRO 30 CO 0.05 -2.15 0.44 -1.12 -0.33 0.00 0.00 177.00 173.89 2jtf s SER 31 N 7.07 5.69 0.06 2.53 0.01 0.14 -4.86 113.70 124.35 2jtf s SER 31 Ca 0.80 -0.34 0.06 0.00 1.31 0.00 0.00 55.95 57.78 2jtf s SER 31 Cb -0.21 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 2jtf s SER 31 CO 0.31 -0.49 -0.12 -0.13 0.41 0.00 0.00 173.24 173.22 2jtf s ARG 32 N -4.16 2.20 -0.28 12.44 0.52 -0.51 0.06 118.95 129.22 2jtf s ARG 32 Ca 0.46 -0.94 -0.25 0.00 -0.52 0.00 0.00 55.73 54.48 2jtf s ARG 32 Cb -0.08 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.08 2jtf s ARG 32 CO 0.30 0.54 0.85 0.42 0.02 0.00 0.00 175.30 177.43 2jtf s ILE 33 N -1.08 4.77 -0.82 1.52 1.01 0.56 0.45 121.20 127.61 2jtf s ILE 33 Ca 0.18 1.42 0.23 0.00 0.00 0.00 0.00 60.65 62.48 2jtf s ILE 33 Cb -0.11 -4.18 -0.12 0.00 0.01 0.00 0.00 42.46 38.07 2jtf s ILE 33 CO 0.10 -0.22 1.09 1.21 0.00 0.00 0.00 174.94 177.12 2jtf n GLU 34 N 6.23 0.13 -3.61 2.79 4.07 0.28 -0.54 120.64 129.99 2jtf n GLU 34 Ca 0.06 -0.01 -0.04 0.00 -0.06 0.00 0.00 57.16 57.11 2jtf n GLU 34 Cb 0.48 -1.54 -0.02 0.00 -0.06 0.00 0.00 31.44 30.30 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 -3.09 0.21 -0.01 5.31 2.47 -1.16 -4.93 119.74 118.53 2jtf s LYS 35 Ca 0.07 -0.08 0.07 0.00 -1.56 0.00 0.00 55.97 54.47 2jtf s LYS 35 Cb 0.16 0.10 -0.02 0.00 -1.46 0.00 0.00 37.83 36.60 2jtf s LYS 35 CO 0.79 -0.09 -0.23 0.42 0.16 0.00 0.00 175.35 176.40 2jtf s ILE 36 N -2.28 2.34 -0.22 5.43 -1.09 -1.26 0.03 121.20 124.15 2jtf s ILE 36 Ca 0.10 -1.07 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 2jtf s ILE 36 Cb -0.01 -1.86 0.04 0.00 -1.58 0.00 0.00 42.46 39.05 2jtf s ILE 36 CO -0.04 0.53 -0.13 -0.62 -1.23 0.00 0.00 174.94 173.46 2jtf s ASP 37 N -0.79 3.70 -0.00 3.58 2.15 0.12 -4.91 116.67 120.52 2jtf s ASP 37 Ca 0.11 -1.01 0.08 0.00 0.43 0.00 0.00 52.55 52.16 2jtf s ASP 37 Cb -0.10 -1.40 -0.10 0.00 -0.30 0.00 0.00 42.92 41.01 2jtf s ASP 37 CO 0.00 -0.13 0.29 0.00 -0.17 0.00 0.00 175.17 175.16 2jtf n TYR 38 N 4.58 0.00 -0.05 -5.34 0.18 -1.26 -0.02 117.16 115.25 2jtf n TYR 38 Ca -0.16 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.47 2jtf n TYR 38 Cb 0.46 -0.07 -0.07 0.00 -0.38 0.00 0.00 39.34 39.28 2jtf n TYR 38 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 2jtf h GLU 39 N 0.00 0.58 0.00 -3.48 4.11 -1.95 -3.35 114.58 110.49 2jtf h GLU 39 Ca 0.00 -0.41 -0.11 0.00 0.07 0.00 0.00 59.36 58.91 2jtf h GLU 39 Cb 0.26 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2jtf h GLU 39 CO 0.00 1.03 -1.07 -1.91 0.07 0.00 0.00 179.01 177.13 2jtf n GLU 40 N -4.24 0.51 0.00 1.06 4.07 -1.26 -5.06 120.64 115.71 2jtf n GLU 40 Ca -0.07 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 2jtf n GLU 40 Cb 0.56 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.32 2jtf n GLU 40 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jtf n GLY 41 N 1.49 0.78 3.42 8.31 0.00 -0.99 -5.10 105.19 113.09 2jtf n GLY 41 Ca -0.21 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.33 1.78 0.04 1.61 1.02 0.96 -3.88 119.74 120.95 2jtf s LYS 42 Ca 0.00 -1.77 0.01 0.00 0.02 0.00 0.00 55.97 54.23 2jtf s LYS 42 Cb 0.00 0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 37.68 2jtf s LYS 42 CO 0.00 -0.71 -0.06 0.00 -0.92 0.00 0.00 175.35 173.67 2jtf s MET 43 N -3.33 0.50 -0.61 1.68 0.23 0.76 -0.70 119.30 117.83 2jtf s MET 43 Ca 0.33 -0.82 -0.22 0.00 -1.03 0.00 0.00 55.69 53.95 2jtf s MET 43 Cb 0.01 -0.10 0.07 0.00 -1.53 0.00 0.00 34.83 33.27 2jtf s MET 43 CO 0.20 -0.01 0.88 -1.17 -2.03 0.00 0.00 175.02 172.90 2jtf s LEU 44 N -1.84 4.53 -0.07 0.18 2.96 0.10 -1.57 118.68 122.99 2jtf s LEU 44 Ca -0.08 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 52.75 2jtf s LEU 44 Cb -0.07 -2.49 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2jtf s LEU 44 CO -0.02 -1.29 0.45 0.54 -1.32 0.00 0.00 176.35 174.72 2jtf s VAL 45 N 3.68 5.11 -0.56 1.68 0.11 0.18 0.99 120.40 131.59 2jtf s VAL 45 Ca 0.21 0.91 -0.10 0.00 -2.93 0.00 0.00 61.98 60.08 2jtf s VAL 45 Cb -0.17 -3.78 0.14 0.00 -1.53 0.00 0.00 36.38 31.04 2jtf s VAL 45 CO 0.12 0.43 0.45 -2.28 -3.33 0.00 0.00 175.10 170.48 2jtf s HIS 46 N -0.08 3.45 0.68 1.54 2.46 0.17 -0.97 115.29 122.55 2jtf s HIS 46 Ca 0.25 -1.92 -0.12 0.00 0.47 0.00 0.00 55.06 53.74 2jtf s HIS 46 Cb -0.16 -3.56 0.16 0.00 -0.13 0.00 0.00 32.58 28.90 2jtf s HIS 46 CO 0.12 -0.98 0.76 1.19 -2.47 0.00 0.00 174.74 173.36 2jtf n PHE 47 N 4.63 -3.79 0.00 3.88 3.01 -1.08 -1.42 117.46 122.68 2jtf n PHE 47 Ca -0.03 -0.68 0.00 0.00 1.01 0.00 0.00 57.45 57.75 2jtf n PHE 47 Cb 0.41 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 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 -3.15 0.00 -1.37 -1.08 -0.58 -1.26 -4.70 120.64 108.50 2jtf n GLU 48 Ca 0.10 0.31 0.04 0.00 -0.42 0.00 0.00 57.16 57.19 2jtf n GLU 48 Cb 0.36 -0.79 0.05 0.00 -0.57 0.00 0.00 31.44 30.49 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 -1.84 0.26 -0.28 3.49 1.74 -1.26 -4.88 116.66 113.89 2jtf n ARG 49 Ca 0.00 -2.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.87 2jtf n ARG 49 Cb 0.00 -0.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 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 0.24 -2.41 0.00 -1.55 4.27 -1.26 -4.94 117.44 111.79 2jtf n TRP 50 Ca 0.08 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.69 2jtf n TRP 50 Cb 1.08 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 31.03 2jtf n TRP 50 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2jtf n SER 51 N -2.01 0.00 -0.12 -0.67 2.88 -1.26 -3.00 113.62 109.43 2jtf n SER 51 Ca 0.00 0.76 -0.10 0.00 -1.33 0.00 0.00 58.87 58.20 2jtf n SER 51 Cb 0.00 -0.26 0.03 0.00 -0.75 0.00 0.00 64.21 63.23 2jtf n SER 51 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2jtf h HIS 52 N 0.00 1.03 0.00 0.66 3.86 -1.95 -3.46 115.15 115.28 2jtf h HIS 52 Ca 0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2jtf h HIS 52 Cb 0.00 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.24 2jtf h HIS 52 CO -0.26 1.05 0.00 -2.13 0.86 0.00 0.00 177.93 177.45 2jtf n ARG 53 N -4.09 0.00 0.18 2.45 0.63 -1.16 -4.09 116.66 110.57 2jtf n ARG 53 Ca -0.01 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.78 2jtf n ARG 53 Cb 0.48 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.31 2jtf n ARG 53 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2jtf h TYR 54 N 0.00 -0.39 -2.86 -0.14 -1.99 -1.89 -2.87 116.97 106.84 2jtf h TYR 54 Ca 0.00 -0.01 -0.15 0.00 2.00 0.00 0.00 58.73 60.57 2jtf h TYR 54 Cb 0.00 0.13 -0.27 0.00 2.00 0.00 0.00 36.73 38.58 2jtf h TYR 54 CO 0.00 -0.14 -0.38 0.16 -0.00 0.00 0.00 178.16 177.80 2jtf s ASP 55 N -4.95 -0.38 -0.03 3.88 -4.77 -1.26 -4.40 116.67 104.76 2jtf s ASP 55 Ca -0.15 0.70 -0.05 0.00 -3.30 0.00 0.00 52.55 49.75 2jtf s ASP 55 Cb 0.03 0.61 0.01 0.00 -1.09 0.00 0.00 42.92 42.48 2jtf s ASP 55 CO 0.60 -0.16 0.12 -0.70 0.70 0.00 0.00 175.17 175.73 2jtf s GLU 56 N 1.07 0.24 -0.26 2.11 2.56 -0.14 -4.83 118.70 119.45 2jtf s GLU 56 Ca -0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.97 54.79 2jtf s GLU 56 Cb -0.08 0.11 -0.04 0.00 2.00 0.00 0.00 34.13 36.12 2jtf s GLU 56 CO -0.08 -0.04 0.10 -1.58 -0.56 0.00 0.00 175.26 173.10 2jtf s TRP 57 N -0.40 3.13 0.14 5.30 0.52 -1.26 0.47 118.94 126.84 2jtf s TRP 57 Ca -0.05 -0.25 -0.01 0.00 0.02 0.00 0.00 56.10 55.81 2jtf s TRP 57 Cb -0.03 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 2jtf s TRP 57 CO 0.00 -0.28 0.07 0.42 0.02 0.00 0.00 176.95 177.18 2jtf s ILE 58 N 1.61 0.09 0.64 2.03 1.01 -0.61 -4.97 121.20 121.02 2jtf s ILE 58 Ca 0.06 -1.89 -0.02 0.00 0.00 0.00 0.00 60.65 58.80 2jtf s ILE 58 Cb -0.15 -2.06 0.07 0.00 0.01 0.00 0.00 42.46 40.32 2jtf s ILE 58 CO 0.06 -0.43 0.91 -0.31 0.00 0.00 0.00 174.94 175.17 2jtf s TYR 59 N -4.05 2.58 -0.49 3.97 1.51 -1.26 -0.17 117.35 119.43 2jtf s TYR 59 Ca 0.25 0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 56.12 2jtf s TYR 59 Cb 0.07 -2.98 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 2jtf s TYR 59 CO 0.02 -1.26 2.19 -1.58 -1.11 0.00 0.00 175.55 173.81 2jtf s TRP 60 N -3.02 1.30 -1.14 2.71 0.52 -1.25 -3.27 118.94 114.79 2jtf s TRP 60 Ca 0.61 1.18 -0.26 0.00 0.02 0.00 0.00 56.10 57.64 2jtf s TRP 60 Cb -0.09 -3.80 0.02 0.00 -1.15 0.00 0.00 33.47 28.45 2jtf s TRP 60 CO 0.42 -2.65 0.72 -0.40 0.02 0.00 0.00 176.95 175.06 2jtf n ASP 61 N 14.20 -4.70 -0.01 2.95 5.75 -1.26 -4.91 116.55 128.57 2jtf n ASP 61 Ca 0.30 -1.15 -0.17 0.00 -0.01 0.00 0.00 54.79 53.77 2jtf n ASP 61 Cb 0.53 -2.32 -0.13 0.00 -1.03 0.00 0.00 41.12 38.16 2jtf n ASP 61 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2jtf h SER 62 N -2.11 0.26 0.00 -1.12 4.64 -1.78 -3.46 113.55 109.98 2jtf h SER 62 Ca -0.68 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 59.72 2jtf h SER 62 Cb 1.38 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jtf h SER 62 CO 0.49 1.16 0.00 -0.46 -0.87 0.00 0.00 176.83 177.15 2jtf n ASN 63 N -4.37 0.00 -1.42 4.97 0.23 -1.26 -4.94 115.26 108.47 2jtf n ASN 63 Ca -0.11 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.00 2jtf n ASN 63 Cb 0.63 0.05 0.33 0.00 -2.08 0.00 0.00 39.78 38.71 2jtf n ASN 63 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2jtf n ARG 64 N -2.24 3.84 -4.19 -3.83 0.00 -1.26 -4.94 116.66 104.04 2jtf n ARG 64 Ca 0.00 -3.02 -0.32 0.00 -0.00 0.00 0.00 57.85 54.51 2jtf n ARG 64 Cb 0.00 -2.06 -0.08 0.00 -0.00 0.00 0.00 32.46 30.32 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 -2.83 3.65 -0.03 2.89 2.01 -1.26 0.28 118.68 123.39 2jtf s LEU 65 Ca 0.49 0.02 0.00 0.00 0.01 0.00 0.00 54.13 54.65 2jtf s LEU 65 Cb 0.38 -2.15 0.03 0.00 0.01 0.00 0.00 46.19 44.46 2jtf s LEU 65 CO 0.12 0.26 0.01 -0.60 1.01 0.00 0.00 176.35 177.15 2jtf s ARG 66 N -1.75 0.17 0.24 1.70 3.52 0.14 -4.32 118.95 118.65 2jtf s ARG 66 Ca 0.22 0.14 -0.03 0.00 -0.13 0.00 0.00 55.73 55.92 2jtf s ARG 66 Cb -0.12 -0.43 0.05 0.00 -1.56 0.00 0.00 34.95 32.90 2jtf s ARG 66 CO 0.13 -0.17 0.32 -0.35 -0.81 0.00 0.00 175.30 174.43 2jtf n PRO 67 N 4.28 -0.17 -1.24 5.12 -0.04 -1.26 -1.68 135.00 140.01 2jtf n PRO 67 Ca -0.24 -0.56 -0.29 0.00 -0.04 0.00 0.00 63.50 62.36 2jtf n PRO 67 Cb 0.50 -0.31 0.21 0.00 -0.04 0.00 0.00 33.50 33.86 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 1.26 0.00 1.53 1.43 -1.26 -4.33 118.68 117.31 2jtf s LEU 68 Ca 0.19 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 2jtf s LEU 68 Cb -0.01 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.51 2jtf s LEU 68 CO 0.13 -3.57 0.41 -1.84 0.23 0.00 0.00 176.35 171.72 2jtf n GLU 69 N -4.41 0.45 -0.38 1.70 0.28 -1.26 -4.94 120.64 112.09 2jtf n GLU 69 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2jtf n GLU 69 Cb 0.59 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 32.42 2jtf n GLU 69 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84