#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtm n SER 2 N 0.00 -7.41 -3.38 6.12 7.64 -1.26 -5.03 113.62 110.30 2jtm n SER 2 Ca 0.00 0.57 -0.18 0.00 1.01 0.00 0.00 58.87 60.27 2jtm n SER 2 Cb 0.00 -4.41 -0.09 0.00 -1.01 0.00 0.00 64.21 58.71 2jtm n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jtm s SER 3 N -2.09 1.47 -0.02 6.43 0.01 -1.26 -4.98 113.70 113.27 2jtm s SER 3 Ca 0.21 -1.41 0.15 0.00 1.31 0.00 0.00 55.95 56.21 2jtm s SER 3 Cb -0.05 0.46 -0.20 0.00 0.21 0.00 0.00 66.02 66.45 2jtm s SER 3 CO 0.74 -0.30 0.66 0.61 0.41 0.00 0.00 173.24 175.36 2jtm n GLY 4 N 4.52 -1.08 3.80 3.44 0.00 -1.26 -4.88 105.19 109.72 2jtm n GLY 4 Ca 0.08 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2jtm n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtm s LYS 5 N -2.75 4.05 -0.27 1.61 1.02 -1.26 -5.05 119.74 117.08 2jtm s LYS 5 Ca -0.05 0.38 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 2jtm s LYS 5 Cb 0.08 -3.29 0.15 0.00 -0.52 0.00 0.00 37.83 34.25 2jtm s LYS 5 CO 0.82 0.52 0.43 -1.59 -0.92 0.00 0.00 175.35 174.61 2jtm s LYS 6 N -0.51 0.41 -0.13 1.68 -2.85 -1.26 -5.14 119.74 111.93 2jtm s LYS 6 Ca 0.23 0.48 -0.28 0.00 -1.00 0.00 0.00 55.97 55.40 2jtm s LYS 6 Cb -0.16 -0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.36 2jtm s LYS 6 CO 0.11 -0.78 0.94 -1.25 0.10 0.00 0.00 175.35 174.47 2jtm s PRO 7 N 2.60 4.37 0.06 1.78 0.04 -1.26 -4.42 135.00 138.17 2jtm s PRO 7 Ca 0.13 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.43 2jtm s PRO 7 Cb -0.14 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 2jtm s PRO 7 CO -0.22 -0.33 0.11 0.54 0.04 0.00 0.00 177.00 177.15 2jtm s VAL 8 N 2.09 4.77 -0.41 -0.36 0.11 -0.10 -4.69 120.40 121.81 2jtm s VAL 8 Ca 0.44 -0.60 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 2jtm s VAL 8 Cb -0.17 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 2jtm s VAL 8 CO 0.15 0.18 1.53 -0.54 -3.33 0.00 0.00 175.10 173.09 2jtm s LYS 9 N -2.28 3.46 0.02 1.54 1.02 -1.26 -0.75 119.74 121.50 2jtm s LYS 9 Ca 0.29 1.02 0.02 0.00 0.02 0.00 0.00 55.97 57.32 2jtm s LYS 9 Cb -0.12 -4.09 -0.02 0.00 -0.52 0.00 0.00 37.83 33.08 2jtm s LYS 9 CO 0.22 -1.71 -0.07 0.54 -0.92 0.00 0.00 175.35 173.40 2jtm s VAL 10 N 5.99 0.52 -0.02 3.17 0.11 0.49 -4.95 120.40 125.72 2jtm s VAL 10 Ca 0.66 -0.72 -0.20 0.00 -2.93 0.00 0.00 61.98 58.78 2jtm s VAL 10 Cb -0.16 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 2jtm s VAL 10 CO 0.32 -0.15 0.58 -0.54 -3.33 0.00 0.00 175.10 171.97 2jtm s LYS 11 N -0.95 4.30 0.72 1.54 1.02 -1.26 -0.92 119.74 124.19 2jtm s LYS 11 Ca -0.04 0.69 -0.08 0.00 0.02 0.00 0.00 55.97 56.56 2jtm s LYS 11 Cb -0.07 -3.35 0.06 0.00 -0.52 0.00 0.00 37.83 33.96 2jtm s LYS 11 CO 0.00 0.36 1.05 0.95 -0.92 0.00 0.00 175.35 176.80 2jtm s THR 12 N -0.14 2.42 0.11 2.17 -4.23 0.17 -4.96 115.64 111.18 2jtm s THR 12 Ca 0.30 -0.12 0.28 0.00 -1.18 0.00 0.00 61.69 60.98 2jtm s THR 12 Cb -0.18 -3.08 0.31 0.00 1.34 0.00 0.00 72.50 70.89 2jtm s THR 12 CO 0.16 -0.09 1.89 -0.65 -0.54 0.00 0.00 174.62 175.40 2jtm h PRO 13 N -0.69 0.00 0.19 3.99 0.11 -1.98 -3.07 132.00 130.55 2jtm h PRO 13 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2jtm h PRO 13 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2jtm h PRO 13 CO 0.62 0.12 -0.09 0.00 -0.21 0.00 0.00 178.00 178.44 2jtm h ALA 14 N 1.88 -0.25 0.00 -0.75 0.00 -2.01 -3.47 119.26 114.65 2jtm h ALA 14 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jtm h ALA 14 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jtm h ALA 14 CO 0.02 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.07 2jtm n GLY 15 N -0.99 -0.38 3.78 0.00 0.00 -1.16 -5.14 105.19 101.31 2jtm n GLY 15 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2jtm n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtm s LYS 16 N 0.00 2.78 -0.13 1.61 -2.85 -1.26 -4.86 119.74 115.03 2jtm s LYS 16 Ca 0.00 -1.14 -0.07 0.00 -1.00 0.00 0.00 55.97 53.77 2jtm s LYS 16 Cb 0.00 -2.47 -0.04 0.00 -2.06 0.00 0.00 37.83 33.26 2jtm s LYS 16 CO 0.00 0.39 0.11 -2.00 0.10 0.00 0.00 175.35 173.95 2jtm s GLU 17 N -3.80 3.53 0.14 1.78 2.12 -1.26 -0.65 118.70 120.55 2jtm s GLU 17 Ca 0.33 -0.22 -0.10 0.00 0.36 0.00 0.00 54.97 55.34 2jtm s GLU 17 Cb -0.07 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 2jtm s GLU 17 CO 0.24 0.64 0.28 0.00 -0.54 0.00 0.00 175.26 175.87 2jtm s ALA 18 N -0.65 -0.15 -0.51 6.30 0.00 -0.09 -4.96 121.76 121.70 2jtm s ALA 18 Ca 0.12 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 2jtm s ALA 18 Cb -0.12 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.81 2jtm s ALA 18 CO 0.02 -0.62 0.62 -1.21 0.00 0.00 0.00 175.76 174.58 2jtm s GLU 19 N -3.93 3.12 -0.04 0.00 2.02 -1.26 -0.38 118.70 118.24 2jtm s GLU 19 Ca 0.13 -0.90 0.06 0.00 0.02 0.00 0.00 54.97 54.27 2jtm s GLU 19 Cb 0.03 -4.10 -0.02 0.00 0.10 0.00 0.00 34.13 30.14 2jtm s GLU 19 CO -0.04 -1.22 -0.21 -0.51 0.02 0.00 0.00 175.26 173.30 2jtm s LEU 20 N 2.62 2.34 -0.20 1.80 1.43 0.07 -4.74 118.68 122.00 2jtm s LEU 20 Ca 0.15 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 2jtm s LEU 20 Cb -0.19 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2jtm s LEU 20 CO 0.12 0.31 0.61 0.54 0.23 0.00 0.00 176.35 178.16 2jtm s VAL 21 N -0.52 5.03 0.35 -1.59 0.11 -1.26 -0.93 120.40 121.60 2jtm s VAL 21 Ca 0.07 1.15 -0.27 0.00 -2.93 0.00 0.00 61.98 60.00 2jtm s VAL 21 Cb -0.11 -3.93 -0.09 0.00 -1.53 0.00 0.00 36.38 30.72 2jtm s VAL 21 CO 0.01 0.11 1.13 -2.16 -3.33 0.00 0.00 175.10 170.87 2jtm s PRO 22 N 1.92 4.30 0.20 1.54 0.04 -1.26 -4.65 135.00 137.07 2jtm s PRO 22 Ca 0.28 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 2jtm s PRO 22 Cb -0.16 -2.85 0.13 0.00 0.04 0.00 0.00 34.50 31.67 2jtm s PRO 22 CO 0.10 -0.10 1.56 1.49 0.04 0.00 0.00 177.00 180.10 2jtm h GLU 23 N 3.06 0.70 -3.15 4.56 4.81 -0.55 -3.46 114.58 120.55 2jtm h GLU 23 Ca -0.48 -0.35 -0.05 0.00 -0.13 0.00 0.00 59.36 58.34 2jtm h GLU 23 Cb 1.22 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.46 2jtm h GLU 23 CO 0.64 0.96 -0.03 -1.59 -0.73 0.00 0.00 179.01 178.27 2jtm s LYS 24 N -4.33 1.05 -0.01 1.92 -2.85 -1.26 -5.02 119.74 109.24 2jtm s LYS 24 Ca -0.09 -0.52 0.03 0.00 -1.00 0.00 0.00 55.97 54.40 2jtm s LYS 24 Cb 0.12 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.36 2jtm s LYS 24 CO 0.84 -0.40 -0.10 0.14 0.10 0.00 0.00 175.35 175.93 2jtm s VAL 25 N -3.26 0.83 0.03 1.79 -7.23 -1.26 -1.99 120.40 109.31 2jtm s VAL 25 Ca -0.01 -0.44 -0.03 0.00 -1.81 0.00 0.00 61.98 59.70 2jtm s VAL 25 Cb 0.01 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2jtm s VAL 25 CO -0.08 0.24 0.04 -1.66 -0.31 0.00 0.00 175.10 173.32 2jtm s TRP 26 N -0.15 0.27 -0.09 2.82 -2.14 -0.17 -5.01 118.94 114.48 2jtm s TRP 26 Ca 0.02 -0.61 0.01 0.00 2.66 0.00 0.00 56.10 58.18 2jtm s TRP 26 Cb -0.05 -0.20 0.02 0.00 -3.10 0.00 0.00 33.47 30.14 2jtm s TRP 26 CO -0.00 -0.31 -0.08 0.00 -2.66 0.00 0.00 176.95 173.89 2jtm s ALA 27 N -2.48 1.18 -0.76 2.67 0.00 -1.26 0.03 121.76 121.14 2jtm s ALA 27 Ca -0.06 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.28 2jtm s ALA 27 Cb -0.02 -0.73 0.10 0.00 0.00 0.00 0.00 23.12 22.47 2jtm s ALA 27 CO -0.04 -0.20 1.01 -0.51 0.00 0.00 0.00 175.76 176.02 2jtm s LEU 28 N 1.29 4.72 -0.25 0.00 1.02 0.11 -4.86 118.68 120.70 2jtm s LEU 28 Ca -0.03 -1.44 0.00 0.00 0.02 0.00 0.00 54.13 52.68 2jtm s LEU 28 Cb -0.14 -2.40 0.07 0.00 0.02 0.00 0.00 46.19 43.74 2jtm s LEU 28 CO -0.03 -1.27 -0.01 0.00 0.02 0.00 0.00 176.35 175.06 2jtm s ALA 29 N 3.43 1.84 -0.00 4.21 0.00 -1.26 -0.82 121.76 129.16 2jtm s ALA 29 Ca 0.26 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 2jtm s ALA 29 Cb -0.13 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 2jtm s ALA 29 CO 0.02 -1.31 0.27 -1.35 0.00 0.00 0.00 175.76 173.38 2jtm h PRO 30 N 7.99 -0.01 0.00 0.00 0.11 -1.93 -3.50 132.00 134.66 2jtm h PRO 30 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2jtm h PRO 30 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jtm h PRO 30 CO 0.42 -0.01 0.00 1.17 -0.21 0.00 0.00 178.00 179.37 2jtm n LYS 31 N -2.10 0.00 -3.19 1.05 4.81 -1.26 -5.03 118.16 112.43 2jtm n LYS 31 Ca -0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.99 2jtm n LYS 31 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.05 2jtm n LYS 31 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2jtm s GLY 32 N -1.61 2.79 -0.14 3.14 0.00 -1.26 -4.89 107.32 105.34 2jtm s GLY 32 Ca 0.00 -3.52 -0.31 0.00 0.00 0.00 0.00 44.72 40.89 2jtm s GLY 32 CO 0.00 1.57 1.05 -1.60 0.00 0.00 0.00 173.10 174.12 2jtm s ARG 33 N 0.12 0.54 0.17 2.90 6.06 -1.26 -5.03 118.95 122.46 2jtm s ARG 33 Ca 0.32 -0.02 -0.14 0.00 -2.50 0.00 0.00 55.73 53.39 2jtm s ARG 33 Cb -0.08 0.25 0.10 0.00 0.06 0.00 0.00 34.95 35.29 2jtm s ARG 33 CO -0.06 -0.20 1.79 0.87 -2.50 0.00 0.00 175.30 175.20 2jtm h LYS 34 N 2.27 0.47 0.00 5.12 1.79 -1.94 -3.48 116.57 120.81 2jtm h LYS 34 Ca -0.16 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2jtm h LYS 34 Cb 1.18 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2jtm h LYS 34 CO 0.29 0.31 0.00 0.41 -1.08 0.00 0.00 179.45 179.38 2jtm n GLY 35 N -1.24 2.49 3.55 3.86 0.00 -1.26 -4.99 105.19 107.60 2jtm n GLY 35 Ca 0.03 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 2jtm n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jtm s VAL 36 N 0.00 3.71 -0.08 1.61 1.01 0.00 -4.79 120.40 121.86 2jtm s VAL 36 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 2jtm s VAL 36 Cb 0.00 -4.84 -0.02 0.00 0.00 0.00 0.00 36.38 31.52 2jtm s VAL 36 CO 0.00 -1.78 0.91 -0.54 0.00 0.00 0.00 175.10 173.70 2jtm s LYS 37 N 5.76 4.43 -0.03 2.72 1.02 -1.26 0.05 119.74 132.44 2jtm s LYS 37 Ca 0.40 1.24 0.04 0.00 0.02 0.00 0.00 55.97 57.66 2jtm s LYS 37 Cb -0.07 -3.51 -0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2jtm s LYS 37 CO 0.12 -0.19 -0.13 0.42 -0.92 0.00 0.00 175.35 174.65 2jtm s ILE 38 N 1.58 1.07 0.08 2.17 1.01 0.10 0.60 121.20 127.82 2jtm s ILE 38 Ca 0.45 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.64 2jtm s ILE 38 Cb -0.19 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2jtm s ILE 38 CO 0.19 0.31 -0.21 -0.83 0.00 0.00 0.00 174.94 174.41 2jtm s GLY 39 N -0.02 1.20 -0.26 6.18 0.00 -0.31 -1.00 107.32 113.12 2jtm s GLY 39 Ca -0.01 -1.18 -0.13 0.00 0.00 0.00 0.00 44.72 43.41 2jtm s GLY 39 CO 0.01 -1.15 0.28 -2.27 0.00 0.00 0.00 173.10 169.97 2jtm s LEU 40 N -1.65 4.07 0.40 0.66 2.96 -0.84 -1.12 118.68 123.16 2jtm s LEU 40 Ca 0.07 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.26 2jtm s LEU 40 Cb -0.10 -2.29 -0.07 0.00 0.50 0.00 0.00 46.19 44.23 2jtm s LEU 40 CO 0.03 -0.08 0.04 -0.36 -1.32 0.00 0.00 176.35 174.66 2jtm s PHE 41 N 1.66 2.53 -0.19 5.38 0.08 0.16 0.27 117.98 127.87 2jtm s PHE 41 Ca 0.12 -0.64 -0.03 0.00 0.12 0.00 0.00 56.93 56.50 2jtm s PHE 41 Cb -0.15 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2jtm s PHE 41 CO 0.09 0.41 -0.07 0.21 -0.10 0.00 0.00 175.22 175.76 2jtm s LYS 42 N -3.74 3.43 -0.13 0.44 2.20 -1.26 0.20 119.74 120.87 2jtm s LYS 42 Ca 0.36 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.05 2jtm s LYS 42 Cb 0.08 -2.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.49 2jtm s LYS 42 CO 0.19 -0.01 1.13 0.34 -0.36 0.00 0.00 175.35 176.63 2jtm s ASP 43 N 0.99 7.09 0.00 1.43 -1.08 0.13 -4.92 116.67 120.31 2jtm s ASP 43 Ca -0.00 1.61 0.30 0.00 -0.52 0.00 0.00 52.55 53.93 2jtm s ASP 43 Cb -0.15 -2.55 1.67 0.00 -1.46 0.00 0.00 42.92 40.44 2jtm s ASP 43 CO 0.00 -0.61 2.08 -0.81 0.52 0.00 0.00 175.17 176.35 2jtm n PRO 44 N 5.72 0.75 -0.11 4.34 -0.04 -1.26 -0.86 135.00 143.53 2jtm n PRO 44 Ca 0.11 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2jtm n PRO 44 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 2jtm n PRO 44 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jtm n GLU 45 N -1.10 0.55 0.04 0.54 -0.58 -1.26 -4.65 120.64 114.18 2jtm n GLU 45 Ca 0.19 0.32 0.11 0.00 -0.42 0.00 0.00 57.16 57.36 2jtm n GLU 45 Cb 0.15 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.45 2jtm n GLU 45 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2jtm n THR 46 N -4.38 0.25 -1.03 2.62 -2.24 -1.25 -4.98 114.28 103.27 2jtm n THR 46 Ca -0.34 -0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 61.04 2jtm n THR 46 Cb 0.68 0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2jtm n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jtm n GLY 47 N 1.29 0.47 3.84 3.38 0.00 -0.04 -5.03 105.19 109.10 2jtm n GLY 47 Ca -0.00 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 2jtm n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtm s LYS 48 N -1.89 2.77 -0.12 1.61 -2.85 -1.24 -4.84 119.74 113.18 2jtm s LYS 48 Ca 0.00 -1.24 -0.15 0.00 -1.00 0.00 0.00 55.97 53.58 2jtm s LYS 48 Cb 0.00 -2.49 -0.05 0.00 -2.06 0.00 0.00 37.83 33.23 2jtm s LYS 48 CO 0.00 0.18 0.36 0.71 0.10 0.00 0.00 175.35 176.70 2jtm s TYR 49 N -2.26 3.52 -0.01 1.78 1.51 -1.26 0.20 117.35 120.84 2jtm s TYR 49 Ca 0.39 0.74 0.04 0.00 -1.01 0.00 0.00 57.07 57.22 2jtm s TYR 49 Cb -0.06 -2.38 -0.01 0.00 -0.11 0.00 0.00 41.96 39.40 2jtm s TYR 49 CO 0.26 0.30 -0.12 -0.59 -1.11 0.00 0.00 175.55 174.29 2jtm s PHE 50 N 0.21 1.08 -0.13 2.71 -0.71 0.13 -4.92 117.98 116.35 2jtm s PHE 50 Ca 0.20 -0.21 -0.12 0.00 -1.04 0.00 0.00 56.93 55.75 2jtm s PHE 50 Cb -0.14 -0.69 -0.05 0.00 -1.21 0.00 0.00 43.02 40.93 2jtm s PHE 50 CO 0.07 -0.01 0.27 -0.98 -1.34 0.00 0.00 175.22 173.23 2jtm s ARG 51 N -0.35 4.03 0.02 1.99 1.70 -1.26 0.36 118.95 125.44 2jtm s ARG 51 Ca 0.04 0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 2jtm s ARG 51 Cb -0.05 -3.34 -0.02 0.00 -0.57 0.00 0.00 34.95 30.97 2jtm s ARG 51 CO -0.00 0.43 -0.04 -1.58 -1.08 0.00 0.00 175.30 173.03 2jtm s HIS 52 N -0.12 0.34 0.38 5.89 2.46 -0.28 -4.95 115.29 119.02 2jtm s HIS 52 Ca 0.17 -0.53 -0.27 0.00 0.47 0.00 0.00 55.06 54.90 2jtm s HIS 52 Cb -0.13 -0.23 -0.09 0.00 -0.13 0.00 0.00 32.58 31.99 2jtm s HIS 52 CO 0.05 -0.17 1.33 0.21 -2.47 0.00 0.00 174.74 173.69 2jtm s LYS 53 N -1.51 4.09 0.43 2.88 2.20 -1.26 -1.16 119.74 125.41 2jtm s LYS 53 Ca -0.15 2.22 0.08 0.00 -0.36 0.00 0.00 55.97 57.77 2jtm s LYS 53 Cb -0.10 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.36 2jtm s LYS 53 CO -0.01 -0.42 0.52 -0.51 -0.36 0.00 0.00 175.35 174.57 2jtm s LEU 54 N -2.22 3.51 0.37 5.43 1.43 0.20 -4.85 118.68 122.55 2jtm s LEU 54 Ca 0.54 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 2jtm s LEU 54 Cb -0.40 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 2jtm s LEU 54 CO 0.52 -0.77 1.28 -2.84 0.23 0.00 0.00 176.35 174.76 2jtm s PRO 55 N -4.29 4.14 0.52 1.29 0.02 -1.26 -4.57 135.00 130.84 2jtm s PRO 55 Ca 0.53 2.12 0.30 0.00 0.02 0.00 0.00 61.00 63.97 2jtm s PRO 55 Cb -0.07 -2.87 1.30 0.00 0.02 0.00 0.00 34.50 32.88 2jtm s PRO 55 CO 0.31 -0.33 1.97 0.38 -0.33 0.00 0.00 177.00 179.00 2jtm h ASP 56 N 2.96 0.00 0.10 2.53 2.03 -1.94 -1.43 116.42 120.68 2jtm h ASP 56 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2jtm h ASP 56 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2jtm h ASP 56 CO 0.64 0.09 -0.06 -0.67 -1.03 0.00 0.00 179.24 178.21 2jtm n ASP 57 N -3.27 0.88 -4.67 4.15 2.03 -1.26 -4.82 116.55 109.59 2jtm n ASP 57 Ca -0.00 -1.11 -0.42 0.00 0.52 0.00 0.00 54.79 53.78 2jtm n ASP 57 Cb 0.32 -0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jtm s TYR 58 N -2.17 3.43 -0.41 -0.67 5.04 -0.54 -4.98 117.35 117.05 2jtm s TYR 58 Ca 0.36 1.45 -0.29 0.00 -2.44 0.00 0.00 57.07 56.16 2jtm s TYR 58 Cb 0.21 -3.16 0.02 0.00 0.35 0.00 0.00 41.96 39.38 2jtm s TYR 58 CO 0.40 -0.31 1.21 -1.25 -1.34 0.00 0.00 175.55 174.26 2jtm s PRO 59 N 2.41 3.77 0.00 4.97 0.05 -1.26 -4.93 135.00 140.01 2jtm s PRO 59 Ca 0.44 0.82 0.27 0.00 0.05 0.00 0.00 61.00 62.58 2jtm s PRO 59 Cb -0.17 -3.90 0.85 0.00 0.05 0.00 0.00 34.50 31.33 2jtm s PRO 59 CO 0.13 -1.31 1.63 0.44 0.05 0.00 0.00 177.00 177.94