#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 1.34 -1.18 -3.83 0.52 -1.26 -5.06 118.95 109.48 2jtf s ARG 8 Ca 0.00 -1.22 -0.20 0.00 -0.52 0.00 0.00 55.73 53.78 2jtf s ARG 8 Cb 0.00 -1.70 0.06 0.00 0.52 0.00 0.00 34.95 33.84 2jtf s ARG 8 CO 0.00 0.41 1.61 -1.25 0.02 0.00 0.00 175.30 176.09 2jtf s PRO 9 N -1.85 3.82 0.52 3.54 0.05 -1.26 -4.75 135.00 135.07 2jtf s PRO 9 Ca 0.11 -1.63 0.05 0.00 0.05 0.00 0.00 61.00 59.58 2jtf s PRO 9 Cb -0.10 -5.46 0.02 0.00 0.05 0.00 0.00 34.50 29.01 2jtf s PRO 9 CO 0.05 -2.23 0.35 0.20 0.05 0.00 0.00 177.00 175.41 2jtf s GLY 10 N 4.54 2.40 -0.54 0.56 0.00 -1.25 -2.80 107.32 110.23 2jtf s GLY 10 Ca 0.50 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.62 2jtf s GLY 10 CO 0.00 -1.94 2.42 1.39 0.00 0.00 0.00 173.10 174.97 2jtf n ILE 11 N -1.66 0.02 1.49 0.90 5.41 -0.80 -4.20 119.36 120.53 2jtf n ILE 11 Ca -0.03 -0.50 0.14 0.00 1.00 0.00 0.00 62.75 63.36 2jtf n ILE 11 Cb 0.64 -2.09 0.55 0.00 -0.71 0.00 0.00 39.64 38.04 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 7.73 0.00 -1.20 1.39 -1.04 -1.26 -2.76 114.28 117.13 2jtf n THR 12 Ca 0.43 -0.17 -0.07 0.00 -2.04 0.00 0.00 64.05 62.20 2jtf n THR 12 Cb 0.37 0.29 -0.03 0.00 -1.82 0.00 0.00 70.33 69.14 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 -0.26 0.00 -4.41 -1.42 3.72 -1.26 -4.96 117.46 108.86 2jtf n PHE 13 Ca 0.18 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.24 2jtf n PHE 13 Cb 0.32 -2.15 -0.12 0.00 -0.94 0.00 0.00 39.48 36.58 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 -2.37 3.66 -0.15 -1.08 0.41 -1.26 -4.97 118.70 112.93 2jtf s GLU 14 Ca 0.00 -0.52 -0.29 0.00 -0.41 0.00 0.00 54.97 53.75 2jtf s GLU 14 Cb 0.00 -2.90 -0.04 0.00 -1.78 0.00 0.00 34.13 29.41 2jtf s GLU 14 CO 0.00 0.25 1.66 0.42 -0.49 0.00 0.00 175.26 177.10 2jtf s ILE 15 N 0.33 3.61 0.00 -1.63 1.01 -1.26 -1.35 121.20 121.91 2jtf s ILE 15 Ca -0.04 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2jtf s ILE 15 Cb -0.14 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2jtf s ILE 15 CO 0.03 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.40 2jtf n GLY 16 N 4.50 0.84 3.94 6.18 0.00 0.36 -5.00 105.19 116.02 2jtf n GLY 16 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 3.65 -0.13 4.61 0.00 -0.46 -4.86 121.76 122.57 2jtf s ALA 17 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 2jtf s ALA 17 Cb 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 2jtf s ALA 17 CO 0.00 -0.49 -0.04 -0.98 0.00 0.00 0.00 175.76 174.25 2jtf s ARG 18 N -4.67 3.42 0.56 0.00 3.03 -1.26 -0.52 118.95 119.51 2jtf s ARG 18 Ca 0.50 -0.51 0.05 0.00 2.03 0.00 0.00 55.73 57.80 2jtf s ARG 18 Cb -0.10 -2.84 0.05 0.00 -1.03 0.00 0.00 34.95 31.02 2jtf s ARG 18 CO 0.40 0.38 0.41 -0.48 -1.13 0.00 0.00 175.30 174.88 2jtf s LEU 19 N -0.01 2.64 -0.13 -1.89 0.05 0.22 -3.86 118.68 115.70 2jtf s LEU 19 Ca 0.01 -1.28 -0.01 0.00 0.05 0.00 0.00 54.13 52.90 2jtf s LEU 19 Cb -0.13 -1.13 -0.02 0.00 -2.05 0.00 0.00 46.19 42.86 2jtf s LEU 19 CO 0.03 -1.15 -0.11 -0.70 -0.55 0.00 0.00 176.35 173.87 2jtf s GLU 20 N -4.30 3.39 0.07 1.48 2.12 -0.81 -0.85 118.70 119.79 2jtf s GLU 20 Ca 0.33 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 55.05 2jtf s GLU 20 Cb -0.02 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 2jtf s GLU 20 CO 0.21 0.25 -0.10 0.00 -0.54 0.00 0.00 175.26 175.09 2jtf s ALA 21 N 0.26 0.87 -0.44 6.30 0.00 -0.52 0.55 121.76 128.79 2jtf s ALA 21 Ca -0.08 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 2jtf s ALA 21 Cb -0.15 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.05 2jtf s ALA 21 CO 0.05 -0.01 0.34 -1.17 0.00 0.00 0.00 175.76 174.97 2jtf s LEU 22 N -1.98 5.36 0.00 0.00 1.98 0.22 -0.01 118.68 124.26 2jtf s LEU 22 Ca -0.02 -1.26 0.06 0.00 -2.89 0.00 0.00 54.13 50.02 2jtf s LEU 22 Cb -0.07 -2.13 0.06 0.00 0.66 0.00 0.00 46.19 44.72 2jtf s LEU 22 CO 0.00 -0.57 0.53 -0.90 -1.89 0.00 0.00 176.35 173.52 2jtf n ASP 23 N 5.12 1.96 0.00 3.68 5.75 -0.41 -4.82 116.55 127.84 2jtf n ASP 23 Ca -0.12 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 2jtf n ASP 23 Cb 0.44 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 2jtf n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jtf n TYR 24 N -1.84 0.00 0.76 2.11 4.11 -1.26 0.15 117.16 121.19 2jtf n TYR 24 Ca 0.08 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.11 2jtf n TYR 24 Cb 0.49 -0.40 0.49 0.00 -0.00 0.00 0.00 39.34 39.92 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 -1.40 0.45 -1.95 -3.48 7.99 -1.26 -4.86 117.00 112.49 2jtf n LEU 25 Ca 0.00 0.55 -0.07 0.00 -0.01 0.00 0.00 56.01 56.47 2jtf n LEU 25 Cb 0.05 -0.41 0.04 0.00 -0.11 0.00 0.00 43.42 42.99 2jtf n LEU 25 CO 0.00 -0.13 0.05 0.00 -1.51 0.00 0.00 177.39 175.80 2jtf n GLN 26 N -1.93 -2.78 -4.25 3.23 3.00 0.40 -5.01 117.38 110.05 2jtf n GLN 26 Ca 0.06 0.34 -0.26 0.00 -0.01 0.00 0.00 57.00 57.13 2jtf n GLN 26 Cb 0.37 -3.87 -0.17 0.00 0.00 0.00 0.00 30.24 26.58 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 1.74 -0.91 -1.09 -0.14 -0.90 -4.91 119.74 108.83 2jtf s LYS 27 Ca 0.04 -0.38 -0.24 0.00 -1.36 0.00 0.00 55.97 54.03 2jtf s LYS 27 Cb -0.02 -1.59 0.05 0.00 -1.68 0.00 0.00 37.83 34.59 2jtf s LYS 27 CO 0.30 -0.12 1.35 -1.58 -0.76 0.00 0.00 175.35 174.53 2jtf s TRP 28 N 1.19 2.50 0.15 3.18 0.52 -1.24 -1.28 118.94 123.96 2jtf s TRP 28 Ca -0.04 -0.62 0.09 0.00 0.02 0.00 0.00 56.10 55.55 2jtf s TRP 28 Cb -0.14 -4.63 -0.04 0.00 -1.15 0.00 0.00 33.47 27.51 2jtf s TRP 28 CO -0.03 -1.94 -0.20 1.52 0.02 0.00 0.00 176.95 176.32 2jtf s TYR 29 N 5.01 1.88 -0.18 -1.98 1.13 0.99 -4.76 117.35 119.44 2jtf s TYR 29 Ca 0.40 -0.44 -0.32 0.00 -1.41 0.00 0.00 57.07 55.31 2jtf s TYR 29 Cb -0.04 -0.96 -0.09 0.00 -1.10 0.00 0.00 41.96 39.77 2jtf s TYR 29 CO -0.01 0.31 2.09 -2.30 -2.51 0.00 0.00 175.55 173.13 2jtf n PRO 30 N 0.55 1.95 -4.56 -3.49 -0.02 -1.26 -1.43 135.00 126.74 2jtf n PRO 30 Ca -0.15 0.62 -0.27 0.00 -2.02 0.00 0.00 63.50 61.68 2jtf n PRO 30 Cb 0.56 -2.88 -0.14 0.00 -0.02 0.00 0.00 33.50 31.02 2jtf n PRO 30 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jtf s SER 31 N 6.47 2.84 -0.11 2.55 0.01 -0.03 -4.39 113.70 121.04 2jtf s SER 31 Ca 0.99 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 57.56 2jtf s SER 31 Cb -0.56 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 2jtf s SER 31 CO 0.44 0.16 0.11 -0.13 0.41 0.00 0.00 173.24 174.23 2jtf s ARG 32 N -1.57 3.34 -0.27 12.44 3.00 0.74 0.70 118.95 137.33 2jtf s ARG 32 Ca 0.10 -0.20 -0.26 0.00 0.00 0.00 0.00 55.73 55.38 2jtf s ARG 32 Cb -0.10 -3.10 0.00 0.00 0.00 0.00 0.00 34.95 31.76 2jtf s ARG 32 CO 0.03 0.76 0.89 0.42 0.00 0.00 0.00 175.30 177.40 2jtf s ILE 33 N -0.98 4.75 -0.07 1.52 1.01 0.32 -0.25 121.20 127.50 2jtf s ILE 33 Ca 0.14 1.56 0.09 0.00 0.00 0.00 0.00 60.65 62.44 2jtf s ILE 33 Cb -0.12 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 38.02 2jtf s ILE 33 CO 0.04 -0.20 0.09 1.21 0.00 0.00 0.00 174.94 176.08 2jtf n GLU 34 N 6.24 1.79 -3.71 2.79 4.07 -0.00 -0.48 120.64 131.33 2jtf n GLU 34 Ca 0.07 -0.03 -0.13 0.00 -0.06 0.00 0.00 57.16 57.00 2jtf n GLU 34 Cb 0.47 -1.26 -0.09 0.00 -0.06 0.00 0.00 31.44 30.50 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 -2.39 0.56 0.08 5.31 2.47 -1.15 -4.83 119.74 119.80 2jtf s LYS 35 Ca -0.05 0.66 0.09 0.00 -1.56 0.00 0.00 55.97 55.11 2jtf s LYS 35 Cb 0.04 0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 36.65 2jtf s LYS 35 CO 0.42 -0.07 -0.24 0.96 0.16 0.00 0.00 175.35 176.58 2jtf s ILE 36 N 0.24 2.38 -0.14 5.43 -4.36 -1.26 0.08 121.20 123.56 2jtf s ILE 36 Ca -0.00 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2jtf s ILE 36 Cb -0.03 -2.00 0.04 0.00 1.25 0.00 0.00 42.46 41.71 2jtf s ILE 36 CO 0.01 0.24 -0.04 -0.62 0.24 0.00 0.00 174.94 174.77 2jtf s ASP 37 N -1.65 2.52 -0.00 4.36 -1.08 0.10 -4.90 116.67 116.02 2jtf s ASP 37 Ca 0.14 -0.52 0.14 0.00 -0.52 0.00 0.00 52.55 51.79 2jtf s ASP 37 Cb -0.10 -0.80 -0.16 0.00 -1.46 0.00 0.00 42.92 40.40 2jtf s ASP 37 CO 0.05 -0.18 0.57 0.00 0.52 0.00 0.00 175.17 176.13 2jtf n TYR 38 N 4.95 0.00 0.07 -5.34 0.18 -1.26 0.07 117.16 115.82 2jtf n TYR 38 Ca -0.11 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.55 2jtf n TYR 38 Cb 0.48 -0.03 -0.08 0.00 -0.38 0.00 0.00 39.34 39.33 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 0.00 -0.22 0.07 -3.48 4.57 -1.94 -3.33 114.58 110.25 2jtf h GLU 39 Ca 0.00 0.02 -0.32 0.00 -1.18 0.00 0.00 59.36 57.87 2jtf h GLU 39 Cb 0.36 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2jtf h GLU 39 CO 0.00 0.20 -1.78 1.49 -1.18 0.00 0.00 179.01 177.73 2jtf h GLU 40 N -0.78 0.15 -0.40 1.92 4.81 -2.01 -3.48 114.58 114.79 2jtf h GLU 40 Ca -0.02 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2jtf h GLU 40 Cb 0.52 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2jtf h GLU 40 CO 0.04 0.91 0.00 0.41 -0.73 0.00 0.00 179.01 179.63 2jtf n GLY 41 N 1.75 0.73 3.93 1.92 0.00 -0.67 -5.09 105.19 107.76 2jtf n GLY 41 Ca -0.23 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.82 2.24 -0.28 1.61 1.02 0.11 -3.67 119.74 119.95 2jtf s LYS 42 Ca 0.00 -2.01 -0.25 0.00 0.02 0.00 0.00 55.97 53.73 2jtf s LYS 42 Cb 0.00 -2.15 0.13 0.00 -0.52 0.00 0.00 37.83 35.29 2jtf s LYS 42 CO 0.00 -0.70 1.06 1.41 -0.92 0.00 0.00 175.35 176.20 2jtf s MET 43 N -4.35 0.48 -0.39 1.68 -2.45 0.06 0.02 119.30 114.35 2jtf s MET 43 Ca 0.36 0.57 -0.18 0.00 -1.25 0.00 0.00 55.69 55.19 2jtf s MET 43 Cb -0.03 0.23 0.01 0.00 1.25 0.00 0.00 34.83 36.29 2jtf s MET 43 CO 0.23 -0.06 0.49 -1.17 1.05 0.00 0.00 175.02 175.56 2jtf s LEU 44 N 0.22 4.55 -0.14 4.11 1.98 0.11 -0.58 118.68 128.93 2jtf s LEU 44 Ca 0.03 -0.32 -0.00 0.00 -2.89 0.00 0.00 54.13 50.96 2jtf s LEU 44 Cb -0.05 -2.51 -0.01 0.00 0.66 0.00 0.00 46.19 44.28 2jtf s LEU 44 CO -0.07 -0.54 -0.13 0.54 -1.89 0.00 0.00 176.35 174.26 2jtf s VAL 45 N 2.32 2.95 -0.45 1.68 0.11 -0.13 -0.82 120.40 126.07 2jtf s VAL 45 Ca 0.16 -0.68 -0.16 0.00 -2.93 0.00 0.00 61.98 58.37 2jtf s VAL 45 Cb -0.16 -2.25 0.04 0.00 -1.53 0.00 0.00 36.38 32.49 2jtf s VAL 45 CO 0.14 0.51 0.39 -1.38 -3.33 0.00 0.00 175.10 171.44 2jtf s HIS 46 N 0.57 3.21 0.61 1.54 -3.43 0.66 -0.84 115.29 117.61 2jtf s HIS 46 Ca -0.08 -0.67 -0.10 0.00 -0.80 0.00 0.00 55.06 53.40 2jtf s HIS 46 Cb -0.16 -2.96 0.15 0.00 -1.43 0.00 0.00 32.58 28.18 2jtf s HIS 46 CO 0.03 -0.73 0.64 1.19 -2.00 0.00 0.00 174.74 173.87 2jtf n PHE 47 N 5.36 -3.68 -0.02 0.38 3.01 0.20 -0.18 117.46 122.52 2jtf n PHE 47 Ca -0.10 -0.57 -0.02 0.00 1.01 0.00 0.00 57.45 57.76 2jtf n PHE 47 Cb 0.46 -0.59 -0.04 0.00 -0.01 0.00 0.00 39.48 39.29 2jtf n PHE 47 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2jtf n GLU 48 N -3.00 2.81 -0.02 -1.08 2.13 -1.26 -4.68 120.64 115.53 2jtf n GLU 48 Ca 0.08 -0.01 0.02 0.00 0.66 0.00 0.00 57.16 57.92 2jtf n GLU 48 Cb 0.32 -1.14 0.03 0.00 0.27 0.00 0.00 31.44 30.91 2jtf n GLU 48 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jtf n ARG 49 N -2.14 2.36 -1.70 5.31 1.74 -1.26 -5.03 116.66 115.93 2jtf n ARG 49 Ca -0.08 -1.60 -0.42 0.00 -0.77 0.00 0.00 57.85 54.98 2jtf n ARG 49 Cb 0.62 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.46 30.99 2jtf n ARG 49 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2jtf s TRP 50 N -1.23 1.34 -2.27 -1.55 -0.00 -1.26 -4.87 118.94 109.09 2jtf s TRP 50 Ca 0.06 -0.23 0.28 0.00 -0.00 0.00 0.00 56.10 56.20 2jtf s TRP 50 Cb 0.05 -4.17 0.99 0.00 -0.00 0.00 0.00 33.47 30.34 2jtf s TRP 50 CO 0.01 -5.15 1.71 -1.13 -0.00 0.00 0.00 176.95 172.39 2jtf n SER 51 N 8.16 1.32 0.00 5.86 3.41 -1.26 -3.58 113.62 127.53 2jtf n SER 51 Ca 0.21 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 2jtf n SER 51 Cb 0.42 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2jtf n SER 51 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2jtf n HIS 52 N -0.10 0.00 -2.02 7.33 -0.00 -1.26 -4.84 115.22 114.34 2jtf n HIS 52 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 2jtf n HIS 52 Cb 0.35 -0.40 -0.00 0.00 -0.00 0.00 0.00 29.99 29.94 2jtf n HIS 52 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2jtf n ARG 53 N -1.88 0.00 0.00 1.57 1.74 -1.26 -5.04 116.66 111.79 2jtf n ARG 53 Ca 0.00 -0.74 0.00 0.00 -0.77 0.00 0.00 57.85 56.34 2jtf n ARG 53 Cb 0.00 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 2jtf n ARG 53 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2jtf n TYR 54 N 0.02 0.00 -4.03 -1.55 4.01 -1.23 -4.79 117.16 109.58 2jtf n TYR 54 Ca -0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 2jtf n TYR 54 Cb 0.66 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.63 2jtf n TYR 54 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2jtf s ASP 55 N 0.00 5.64 0.04 7.72 1.47 -1.26 -0.63 116.67 129.66 2jtf s ASP 55 Ca 0.00 0.02 -0.18 0.00 1.18 0.00 0.00 52.55 53.56 2jtf s ASP 55 Cb 0.00 -1.54 0.04 0.00 -0.34 0.00 0.00 42.92 41.07 2jtf s ASP 55 CO 0.00 0.16 0.42 -0.70 0.68 0.00 0.00 175.17 175.73 2jtf s GLU 56 N -2.49 0.92 -0.20 2.11 2.56 -0.02 -4.97 118.70 116.63 2jtf s GLU 56 Ca 0.30 -0.34 -0.14 0.00 0.00 0.00 0.00 54.97 54.79 2jtf s GLU 56 Cb -0.12 0.41 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 2jtf s GLU 56 CO 0.23 -0.32 0.32 -1.58 -0.56 0.00 0.00 175.26 173.35 2jtf s TRP 57 N -2.43 3.38 0.00 5.30 0.52 -1.26 -0.96 118.94 123.49 2jtf s TRP 57 Ca -0.06 0.52 0.00 0.00 0.02 0.00 0.00 56.10 56.59 2jtf s TRP 57 Cb -0.01 -2.42 0.00 0.00 -1.15 0.00 0.00 33.47 29.89 2jtf s TRP 57 CO -0.02 0.07 0.00 -0.89 0.02 0.00 0.00 176.95 176.13 2jtf n ILE 58 N 4.13 0.00 -2.68 2.03 5.41 0.25 -4.94 119.36 123.55 2jtf n ILE 58 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2jtf n ILE 58 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 2jtf n ILE 58 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2jtf n TYR 59 N 0.00 0.00 -0.04 1.39 4.01 -1.26 -0.76 117.16 120.50 2jtf n TYR 59 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jtf n TYR 59 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2jtf n TYR 59 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2jtf n TRP 60 N 0.00 0.00 -2.16 -0.72 5.03 -1.24 -4.52 117.44 113.83 2jtf n TRP 60 Ca 0.00 0.00 -0.31 0.00 3.03 0.00 0.00 57.50 60.22 2jtf n TRP 60 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 31.31 30.23 2jtf n TRP 60 CO 0.00 0.00 0.00 0.16 -0.03 0.00 0.00 177.69 177.82 2jtf s ASP 61 N -1.00 5.37 -0.01 -0.99 -4.77 -1.26 -4.17 116.67 109.85 2jtf s ASP 61 Ca 0.00 -1.60 0.01 0.00 -3.30 0.00 0.00 52.55 47.66 2jtf s ASP 61 Cb 0.00 -2.58 0.02 0.00 -1.09 0.00 0.00 42.92 39.26 2jtf s ASP 61 CO 0.00 -2.68 0.72 -1.20 0.70 0.00 0.00 175.17 172.71 2jtf n SER 62 N 13.21 0.37 0.04 2.11 7.64 -1.26 -4.91 113.62 130.82 2jtf n SER 62 Ca 0.44 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.85 2jtf n SER 62 Cb 0.47 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2jtf n SER 62 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jtf n ASN 63 N -0.14 -0.71 -2.70 6.43 2.85 -1.26 -5.01 115.26 114.72 2jtf n ASN 63 Ca 0.01 0.18 -0.08 0.00 -0.11 0.00 0.00 54.58 54.58 2jtf n ASN 63 Cb 0.52 0.98 0.10 0.00 1.24 0.00 0.00 39.78 42.62 2jtf n ASN 63 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 2jtf n ARG 64 N -2.49 1.17 -4.33 1.20 0.00 -1.26 -5.06 116.66 105.89 2jtf n ARG 64 Ca 0.00 -2.13 -0.28 0.00 -0.00 0.00 0.00 57.85 55.44 2jtf n ARG 64 Cb 0.00 -0.36 -0.11 0.00 -0.00 0.00 0.00 32.46 31.99 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 -3.11 2.70 -0.23 2.89 2.01 -1.26 -0.61 118.68 121.07 2jtf s LEU 65 Ca 0.23 -0.63 -0.01 0.00 0.01 0.00 0.00 54.13 53.73 2jtf s LEU 65 Cb 0.40 -1.48 0.07 0.00 0.01 0.00 0.00 46.19 45.19 2jtf s LEU 65 CO -0.06 0.15 0.02 -0.60 1.01 0.00 0.00 176.35 176.87 2jtf s ARG 66 N -2.42 0.96 0.00 1.70 6.06 0.19 -4.51 118.95 120.94 2jtf s ARG 66 Ca 0.20 -0.73 0.00 0.00 -2.50 0.00 0.00 55.73 52.70 2jtf s ARG 66 Cb -0.10 -2.25 0.00 0.00 0.06 0.00 0.00 34.95 32.67 2jtf s ARG 66 CO 0.11 -0.69 0.00 -0.35 -2.50 0.00 0.00 175.30 171.87 2jtf n PRO 67 N 4.89 -0.03 -2.99 5.12 -0.04 -1.26 -1.90 135.00 138.80 2jtf n PRO 67 Ca -0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.16 2jtf n PRO 67 Cb 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.93 2jtf n PRO 67 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jtf s LEU 68 N 0.00 3.62 0.00 1.53 2.96 -1.11 -3.48 118.68 122.21 2jtf s LEU 68 Ca 0.00 0.15 0.10 0.00 -0.22 0.00 0.00 54.13 54.16 2jtf s LEU 68 Cb 0.00 -3.04 0.48 0.00 0.50 0.00 0.00 46.19 44.13 2jtf s LEU 68 CO 0.00 -0.75 1.30 -1.84 -1.32 0.00 0.00 176.35 173.74 2jtf n GLU 69 N -2.06 0.05 -0.81 1.98 0.28 -1.26 -4.92 120.64 113.90 2jtf n GLU 69 Ca 0.03 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 2jtf n GLU 69 Cb 0.58 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.95 2jtf n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51