#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 -7.17 -3.16 6.12 7.64 -1.26 -5.02 113.62 110.77 2jtm n SER 2 Ca 0.00 0.18 -0.23 0.00 1.01 0.00 0.00 58.87 59.83 2jtm n SER 2 Cb 0.00 -4.83 -0.06 0.00 -1.01 0.00 0.00 64.21 58.30 2jtm n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jtm n SER 3 N -1.08 -0.04 -2.93 6.43 7.64 -1.26 -4.95 113.62 117.43 2jtm n SER 3 Ca 0.05 -2.73 -0.34 0.00 1.01 0.00 0.00 58.87 56.86 2jtm n SER 3 Cb 0.46 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 2jtm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jtm n GLY 4 N 1.43 4.98 0.98 0.23 0.00 -1.26 -4.87 105.19 106.68 2jtm n GLY 4 Ca 0.20 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 2jtm n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jtm n LYS 5 N 0.71 0.20 -3.71 1.61 5.02 -1.26 -5.16 118.16 115.56 2jtm n LYS 5 Ca 0.53 -1.01 -0.12 0.00 -2.02 0.00 0.00 58.31 55.69 2jtm n LYS 5 Cb 0.39 0.80 -0.10 0.00 -0.02 0.00 0.00 35.03 36.10 2jtm n LYS 5 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jtm s LYS 6 N -2.42 0.46 0.29 1.97 2.20 -1.26 -5.15 119.74 115.83 2jtm s LYS 6 Ca 0.11 0.71 -0.28 0.00 -0.36 0.00 0.00 55.97 56.15 2jtm s LYS 6 Cb 0.01 0.11 -0.09 0.00 -1.51 0.00 0.00 37.83 36.35 2jtm s LYS 6 CO 0.08 -0.11 0.97 -1.25 -0.36 0.00 0.00 175.35 174.68 2jtm s PRO 7 N 0.83 4.68 0.12 4.03 0.04 -1.26 -4.46 135.00 138.98 2jtm s PRO 7 Ca -0.05 1.48 0.10 0.00 0.04 0.00 0.00 61.00 62.58 2jtm s PRO 7 Cb -0.06 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2jtm s PRO 7 CO -0.06 0.34 -0.26 0.54 0.04 0.00 0.00 177.00 177.60 2jtm s VAL 8 N -1.36 2.15 -0.45 -0.36 0.11 -0.15 -4.83 120.40 115.51 2jtm s VAL 8 Ca 0.46 -1.71 -0.29 0.00 -2.93 0.00 0.00 61.98 57.52 2jtm s VAL 8 Cb -0.24 -1.91 0.01 0.00 -1.53 0.00 0.00 36.38 32.71 2jtm s VAL 8 CO 0.30 0.07 1.43 -0.54 -3.33 0.00 0.00 175.10 173.03 2jtm s LYS 9 N -2.01 3.49 -0.00 1.54 1.02 -1.26 -1.10 119.74 121.43 2jtm s LYS 9 Ca 0.13 0.83 0.04 0.00 0.02 0.00 0.00 55.97 56.99 2jtm s LYS 9 Cb -0.10 -4.06 -0.01 0.00 -0.52 0.00 0.00 37.83 33.14 2jtm s LYS 9 CO 0.06 -1.67 -0.14 0.54 -0.92 0.00 0.00 175.35 173.21 2jtm s VAL 10 N 5.66 1.12 -0.32 3.17 0.11 0.72 -4.88 120.40 125.99 2jtm s VAL 10 Ca 0.60 -0.67 -0.29 0.00 -2.93 0.00 0.00 61.98 58.68 2jtm s VAL 10 Cb -0.13 -0.95 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 2jtm s VAL 10 CO 0.31 0.26 1.16 -0.54 -3.33 0.00 0.00 175.10 172.96 2jtm s LYS 11 N -0.47 4.00 0.65 1.54 1.02 -1.26 -1.11 119.74 124.11 2jtm s LYS 11 Ca 0.05 1.11 -0.08 0.00 0.02 0.00 0.00 55.97 57.06 2jtm s LYS 11 Cb -0.06 -3.79 0.02 0.00 -0.52 0.00 0.00 37.83 33.47 2jtm s LYS 11 CO -0.00 -1.00 0.99 0.95 -0.92 0.00 0.00 175.35 175.37 2jtm s THR 12 N 3.93 3.48 0.01 2.17 -4.23 0.05 -4.92 115.64 116.13 2jtm s THR 12 Ca 0.49 0.19 0.31 0.00 -1.18 0.00 0.00 61.69 61.50 2jtm s THR 12 Cb -0.13 -3.43 0.33 0.00 1.34 0.00 0.00 72.50 70.60 2jtm s THR 12 CO 0.19 -0.50 1.93 -0.65 -0.54 0.00 0.00 174.62 175.05 2jtm h PRO 13 N -0.41 0.00 0.00 3.99 0.11 -1.95 -0.77 132.00 132.97 2jtm h PRO 13 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jtm h PRO 13 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jtm h PRO 13 CO 0.62 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 2jtm h ALA 14 N 2.07 1.00 -0.01 -0.75 0.00 -2.01 -3.47 119.26 116.10 2jtm h ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jtm h ALA 14 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jtm h ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jtm n GLY 15 N 0.39 1.76 3.02 0.00 0.00 -0.29 -5.11 105.19 104.97 2jtm n GLY 15 Ca 0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.14 0.34 -0.81 1.61 0.00 -1.25 -4.95 119.74 113.55 2jtm s LYS 16 Ca 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 55.97 55.34 2jtm s LYS 16 Cb 0.00 0.13 0.13 0.00 0.00 0.00 0.00 37.83 38.09 2jtm s LYS 16 CO 0.00 -0.07 0.97 -2.00 0.00 0.00 0.00 175.35 174.25 2jtm s GLU 17 N -1.23 3.41 0.25 1.78 2.12 -1.26 -0.77 118.70 123.00 2jtm s GLU 17 Ca -0.13 -1.63 0.06 0.00 0.36 0.00 0.00 54.97 53.63 2jtm s GLU 17 Cb -0.08 -4.61 -0.03 0.00 0.26 0.00 0.00 34.13 29.67 2jtm s GLU 17 CO 0.00 -1.67 0.27 0.00 -0.54 0.00 0.00 175.26 173.33 2jtm s ALA 18 N 2.54 3.75 -0.52 6.30 0.00 -0.26 -4.67 121.76 128.90 2jtm s ALA 18 Ca 0.25 -1.35 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 2jtm s ALA 18 Cb -0.11 -1.48 0.05 0.00 0.00 0.00 0.00 23.12 21.58 2jtm s ALA 18 CO -0.03 0.23 0.70 -1.21 0.00 0.00 0.00 175.76 175.45 2jtm s GLU 19 N -3.91 3.17 -0.00 0.00 2.02 -1.26 -0.20 118.70 118.53 2jtm s GLU 19 Ca 0.34 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.66 2jtm s GLU 19 Cb -0.08 -4.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.04 2jtm s GLU 19 CO 0.27 -1.28 -0.21 -0.51 0.02 0.00 0.00 175.26 173.54 2jtm s LEU 20 N 2.95 2.38 -0.21 1.80 1.43 -0.26 -4.80 118.68 121.97 2jtm s LEU 20 Ca 0.19 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 2jtm s LEU 20 Cb -0.18 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2jtm s LEU 20 CO 0.14 0.30 0.35 0.54 0.23 0.00 0.00 176.35 177.90 2jtm s VAL 21 N -0.75 5.23 0.36 -1.59 0.11 -1.26 -0.98 120.40 121.52 2jtm s VAL 21 Ca 0.12 0.59 -0.28 0.00 -2.93 0.00 0.00 61.98 59.48 2jtm s VAL 21 Cb -0.10 -3.68 -0.10 0.00 -1.53 0.00 0.00 36.38 30.97 2jtm s VAL 21 CO 0.01 0.27 1.30 -2.84 -3.33 0.00 0.00 175.10 170.51 2jtm s PRO 22 N 1.28 4.20 0.03 1.54 0.02 -1.26 -4.78 135.00 136.03 2jtm s PRO 22 Ca 0.16 2.18 -0.21 0.00 0.02 0.00 0.00 61.00 63.15 2jtm s PRO 22 Cb -0.14 -2.94 -0.15 0.00 0.02 0.00 0.00 34.50 31.29 2jtm s PRO 22 CO 0.07 -0.31 1.35 0.93 -0.33 0.00 0.00 177.00 178.72 2jtm h GLU 23 N 3.08 0.28 -3.63 5.54 4.39 -0.44 -3.45 114.58 120.35 2jtm h GLU 23 Ca -0.49 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 58.88 2jtm h GLU 23 Cb 1.23 -0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.64 2jtm h GLU 23 CO 0.64 0.66 -0.61 0.21 -1.16 0.00 0.00 179.01 178.75 2jtm s LYS 24 N -4.40 0.22 0.14 2.33 2.20 -1.24 -5.00 119.74 113.99 2jtm s LYS 24 Ca -0.14 -0.16 0.08 0.00 -0.36 0.00 0.00 55.97 55.39 2jtm s LYS 24 Cb 0.05 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2jtm s LYS 24 CO 0.73 -0.04 -0.20 0.14 -0.36 0.00 0.00 175.35 175.63 2jtm s VAL 25 N -0.59 1.78 0.02 4.02 -7.23 -1.26 -0.36 120.40 116.77 2jtm s VAL 25 Ca -0.07 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 2jtm s VAL 25 Cb -0.04 -1.71 0.06 0.00 0.56 0.00 0.00 36.38 35.24 2jtm s VAL 25 CO 0.00 -0.19 0.56 -1.66 -0.31 0.00 0.00 175.10 173.50 2jtm s TRP 26 N -1.62 -0.49 -0.11 2.82 -2.14 0.04 -5.00 118.94 112.44 2jtm s TRP 26 Ca 0.11 0.64 0.01 0.00 2.66 0.00 0.00 56.10 59.53 2jtm s TRP 26 Cb -0.08 0.37 0.02 0.00 -3.10 0.00 0.00 33.47 30.68 2jtm s TRP 26 CO 0.05 -0.64 -0.14 0.00 -2.66 0.00 0.00 176.95 173.57 2jtm s ALA 27 N -2.11 1.63 -1.01 2.67 0.00 -1.26 -0.24 121.76 121.43 2jtm s ALA 27 Ca -0.07 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 2jtm s ALA 27 Cb -0.01 -0.83 0.14 0.00 0.00 0.00 0.00 23.12 22.43 2jtm s ALA 27 CO 0.01 -0.11 1.22 -0.51 0.00 0.00 0.00 175.76 176.37 2jtm s LEU 28 N 1.05 5.04 -0.30 0.00 1.02 0.15 -4.89 118.68 120.75 2jtm s LEU 28 Ca -0.06 -2.31 -0.03 0.00 0.02 0.00 0.00 54.13 51.75 2jtm s LEU 28 Cb -0.15 -2.40 0.10 0.00 0.02 0.00 0.00 46.19 43.77 2jtm s LEU 28 CO -0.02 -0.98 0.13 0.00 0.02 0.00 0.00 176.35 175.50 2jtm s ALA 29 N 2.40 0.84 -0.01 4.21 0.00 -1.26 -1.54 121.76 126.39 2jtm s ALA 29 Ca 0.36 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 2jtm s ALA 29 Cb -0.04 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 2jtm s ALA 29 CO -0.07 -1.71 0.50 -1.35 0.00 0.00 0.00 175.76 173.14 2jtm h PRO 30 N 8.19 -0.20 0.00 0.00 0.11 -1.91 -3.50 132.00 134.69 2jtm h PRO 30 Ca -0.16 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2jtm h PRO 30 Cb 1.01 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jtm h PRO 30 CO 0.43 -0.13 0.00 1.17 -0.21 0.00 0.00 178.00 179.26 2jtm n LYS 31 N -3.15 0.00 -0.35 1.05 4.81 -1.26 -4.99 118.16 114.27 2jtm n LYS 31 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2jtm n LYS 31 Cb 0.08 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.13 2jtm n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jtm n GLY 32 N -0.23 1.72 3.77 3.14 0.00 -1.26 -5.00 105.19 107.32 2jtm n GLY 32 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2jtm n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jtm s ARG 33 N -0.21 2.85 0.29 1.61 3.52 -1.26 -5.01 118.95 120.73 2jtm s ARG 33 Ca 0.00 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 54.88 2jtm s ARG 33 Cb 0.00 -2.70 0.46 0.00 -1.56 0.00 0.00 34.95 31.15 2jtm s ARG 33 CO 0.00 0.56 1.91 -0.22 -0.81 0.00 0.00 175.30 176.74 2jtm h LYS 34 N 3.28 1.08 0.00 5.12 3.64 -1.94 -3.47 116.57 124.28 2jtm h LYS 34 Ca -0.47 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2jtm h LYS 34 Cb 1.16 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2jtm h LYS 34 CO 0.65 0.72 0.00 0.41 -2.27 0.00 0.00 179.45 178.96 2jtm n GLY 35 N -1.39 1.35 3.55 5.01 0.00 -1.26 -5.03 105.19 107.42 2jtm n GLY 35 Ca 0.14 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 4.06 -0.16 1.61 1.01 -0.59 -4.83 120.40 121.50 2jtm s VAL 36 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 61.98 62.31 2jtm s VAL 36 Cb 0.00 -4.73 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 2jtm s VAL 36 CO 0.00 -1.42 0.59 -0.54 0.00 0.00 0.00 175.10 173.73 2jtm s LYS 37 N 4.83 4.28 0.01 2.72 1.02 -1.26 0.33 119.74 131.67 2jtm s LYS 37 Ca 0.36 0.60 0.05 0.00 0.02 0.00 0.00 55.97 57.00 2jtm s LYS 37 Cb -0.10 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2jtm s LYS 37 CO 0.20 -0.08 -0.15 0.42 -0.92 0.00 0.00 175.35 174.83 2jtm s ILE 38 N 1.38 1.15 0.05 2.17 1.01 0.67 0.24 121.20 127.88 2jtm s ILE 38 Ca 0.29 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.18 2jtm s ILE 38 Cb -0.16 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 2jtm s ILE 38 CO 0.12 0.18 -0.13 -0.83 0.00 0.00 0.00 174.94 174.27 2jtm s GLY 39 N -0.73 0.79 -0.21 6.18 0.00 0.11 -0.78 107.32 112.68 2jtm s GLY 39 Ca 0.04 -0.88 -0.14 0.00 0.00 0.00 0.00 44.72 43.74 2jtm s GLY 39 CO 0.00 -0.88 0.31 -2.27 0.00 0.00 0.00 173.10 170.27 2jtm s LEU 40 N -1.39 4.14 0.43 0.66 2.96 0.51 -0.61 118.68 125.37 2jtm s LEU 40 Ca -0.01 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2jtm s LEU 40 Cb -0.09 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 2jtm s LEU 40 CO 0.02 -0.02 0.04 -0.36 -1.32 0.00 0.00 176.35 174.70 2jtm s PHE 41 N 1.19 2.08 -0.11 5.38 0.08 0.11 0.38 117.98 127.10 2jtm s PHE 41 Ca 0.15 -0.92 0.02 0.00 0.12 0.00 0.00 56.93 56.30 2jtm s PHE 41 Cb -0.14 -1.53 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 2jtm s PHE 41 CO 0.07 0.17 -0.15 0.21 -0.10 0.00 0.00 175.22 175.42 2jtm s LYS 42 N -3.80 2.20 -0.21 0.44 2.20 -1.26 -0.36 119.74 118.95 2jtm s LYS 42 Ca 0.24 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 55.01 2jtm s LYS 42 Cb 0.06 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.50 2jtm s LYS 42 CO 0.12 -0.07 1.12 0.34 -0.36 0.00 0.00 175.35 176.50 2jtm s ASP 43 N 1.00 7.05 0.12 1.43 -1.08 0.67 -4.92 116.67 120.94 2jtm s ASP 43 Ca -0.06 1.49 0.21 0.00 -0.52 0.00 0.00 52.55 53.67 2jtm s ASP 43 Cb -0.15 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.63 2jtm s ASP 43 CO -0.02 -0.70 1.66 -0.81 0.52 0.00 0.00 175.17 175.82 2jtm n PRO 44 N 6.41 0.11 -0.09 4.34 -0.04 -1.26 -0.04 135.00 144.43 2jtm n PRO 44 Ca 0.13 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.73 2jtm n PRO 44 Cb 0.46 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.88 0.68 -0.05 0.54 1.02 -1.26 -4.47 120.64 115.22 2jtm n GLU 45 Ca 0.04 0.10 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 2jtm n GLU 45 Cb 0.25 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 29.96 2jtm n GLU 45 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jtm n THR 46 N -3.03 1.60 -1.46 2.62 -2.24 -1.22 -5.01 114.28 105.54 2jtm n THR 46 Ca -0.36 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 2jtm n THR 46 Cb 1.08 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.83 0.84 3.32 3.38 0.00 0.95 -5.06 105.19 110.46 2jtm n GLY 47 Ca -0.29 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.18 1.22 -0.08 1.61 -2.85 -1.20 -4.90 119.74 110.36 2jtm s LYS 48 Ca 0.00 -1.27 -0.22 0.00 -1.00 0.00 0.00 55.97 53.48 2jtm s LYS 48 Cb 0.00 -1.49 -0.04 0.00 -2.06 0.00 0.00 37.83 34.24 2jtm s LYS 48 CO 0.00 0.34 0.65 0.71 0.10 0.00 0.00 175.35 177.15 2jtm s TYR 49 N -1.36 3.56 -0.01 1.78 1.51 -1.26 -0.24 117.35 121.33 2jtm s TYR 49 Ca 0.10 1.16 0.02 0.00 -1.01 0.00 0.00 57.07 57.34 2jtm s TYR 49 Cb -0.09 -2.75 -0.00 0.00 -0.11 0.00 0.00 41.96 39.01 2jtm s TYR 49 CO 0.05 0.10 -0.07 -0.59 -1.11 0.00 0.00 175.55 173.93 2jtm s PHE 50 N 0.79 0.64 -0.13 2.71 -0.71 0.51 -4.94 117.98 116.85 2jtm s PHE 50 Ca 0.35 -0.12 -0.14 0.00 -1.04 0.00 0.00 56.93 55.97 2jtm s PHE 50 Cb -0.17 -0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 41.17 2jtm s PHE 50 CO 0.16 -0.02 0.33 -0.98 -1.34 0.00 0.00 175.22 173.37 2jtm s ARG 51 N -0.10 4.19 0.03 1.99 1.70 -1.26 0.09 118.95 125.60 2jtm s ARG 51 Ca 0.02 0.19 0.01 0.00 -0.47 0.00 0.00 55.73 55.47 2jtm s ARG 51 Cb -0.03 -3.39 -0.02 0.00 -0.57 0.00 0.00 34.95 30.93 2jtm s ARG 51 CO -0.00 0.30 -0.04 -1.58 -1.08 0.00 0.00 175.30 172.90 2jtm s HIS 52 N 0.25 0.35 0.38 5.89 2.46 0.22 -4.95 115.29 119.89 2jtm s HIS 52 Ca 0.19 -0.52 -0.27 0.00 0.47 0.00 0.00 55.06 54.93 2jtm s HIS 52 Cb -0.14 -0.24 -0.09 0.00 -0.13 0.00 0.00 32.58 31.98 2jtm s HIS 52 CO 0.06 -0.16 1.27 0.21 -2.47 0.00 0.00 174.74 173.65 2jtm s LYS 53 N -1.48 4.12 0.63 2.88 2.20 -1.26 -0.72 119.74 126.11 2jtm s LYS 53 Ca -0.15 2.11 0.07 0.00 -0.36 0.00 0.00 55.97 57.64 2jtm s LYS 53 Cb -0.10 -2.85 0.11 0.00 -1.51 0.00 0.00 37.83 33.48 2jtm s LYS 53 CO -0.01 -0.35 0.87 1.28 -0.36 0.00 0.00 175.35 176.79 2jtm n LEU 54 N 0.35 0.00 -4.76 5.43 4.77 0.14 -4.83 117.00 118.09 2jtm n LEU 54 Ca 0.03 -2.43 -0.41 0.00 -0.03 0.00 0.00 56.01 53.17 2jtm n LEU 54 Cb 0.44 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2jtm n LEU 54 CO 0.56 -0.80 1.09 -2.84 -1.33 0.00 0.00 177.39 174.07 2jtm s PRO 55 N -4.81 4.24 0.66 3.23 0.02 -1.26 -4.74 135.00 132.34 2jtm s PRO 55 Ca 0.63 2.37 0.44 0.00 0.02 0.00 0.00 61.00 64.47 2jtm s PRO 55 Cb -0.05 -3.05 2.41 0.00 0.02 0.00 0.00 34.50 33.83 2jtm s PRO 55 CO 0.41 -0.40 2.37 -0.44 -0.33 0.00 0.00 177.00 178.61 2jtm h ASP 56 N 3.98 0.00 -0.28 2.53 5.19 -1.92 -0.52 116.42 125.40 2jtm h ASP 56 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2jtm h ASP 56 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2jtm h ASP 56 CO 0.71 0.00 0.00 -0.67 -3.12 0.00 0.00 179.24 176.16 2jtm n ASP 57 N -3.12 2.92 -4.70 6.45 2.03 -1.26 -4.87 116.55 114.00 2jtm n ASP 57 Ca -0.03 -2.17 -0.42 0.00 0.52 0.00 0.00 54.79 52.69 2jtm n ASP 57 Cb 0.07 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 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 -1.30 2.90 -0.86 -0.67 5.04 -0.21 -4.89 117.35 117.36 2jtm s TYR 58 Ca 0.23 0.68 -0.25 0.00 -2.44 0.00 0.00 57.07 55.29 2jtm s TYR 58 Cb 0.14 -3.81 -0.02 0.00 0.35 0.00 0.00 41.96 38.62 2jtm s TYR 58 CO 0.12 -3.05 1.80 -1.25 -1.34 0.00 0.00 175.55 171.83 2jtm s PRO 59 N 1.78 2.81 0.00 4.97 0.04 -1.26 -4.99 135.00 138.35 2jtm s PRO 59 Ca 0.68 -0.29 0.08 0.00 0.04 0.00 0.00 61.00 61.52 2jtm s PRO 59 Cb -0.38 -4.95 0.06 0.00 0.04 0.00 0.00 34.50 29.27 2jtm s PRO 59 CO 0.30 -2.97 0.76 0.44 0.04 0.00 0.00 177.00 175.58