#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 -1.70 -4.57 3.17 7.64 -1.26 -5.07 113.62 111.84 2jtm n SER 2 Ca 0.00 0.42 -0.34 0.00 1.01 0.00 0.00 58.87 59.96 2jtm n SER 2 Cb 0.00 1.79 -0.11 0.00 -1.01 0.00 0.00 64.21 64.87 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 -2.73 4.68 0.00 6.43 0.01 -1.26 -4.55 113.70 116.28 2jtm s SER 3 Ca 0.00 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2jtm s SER 3 Cb 0.00 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.94 2jtm s SER 3 CO 0.00 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2jtm n GLY 4 N 2.46 2.64 7.00 3.44 0.00 -1.26 -5.05 105.19 114.41 2jtm n GLY 4 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 0.00 -3.64 1.61 5.02 -1.26 -4.53 118.16 115.35 2jtm n LYS 5 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2jtm n LYS 5 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 2jtm n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jtm s LYS 6 N 0.00 3.05 0.36 1.97 1.02 -1.26 -5.09 119.74 119.79 2jtm s LYS 6 Ca 0.00 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.02 2jtm s LYS 6 Cb 0.00 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 2jtm s LYS 6 CO 0.00 -0.56 0.65 -1.25 -0.92 0.00 0.00 175.35 173.27 2jtm s PRO 7 N 1.57 3.61 0.04 -1.68 0.04 -1.26 -4.20 135.00 133.11 2jtm s PRO 7 Ca 0.03 0.08 -0.01 0.00 0.04 0.00 0.00 61.00 61.14 2jtm s PRO 7 Cb -0.18 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 2jtm s PRO 7 CO 0.06 0.06 -0.02 0.54 0.04 0.00 0.00 177.00 177.68 2jtm s VAL 8 N -2.33 0.16 -0.26 -0.36 0.11 0.23 -4.93 120.40 113.02 2jtm s VAL 8 Ca 0.45 -1.33 -0.29 0.00 -2.93 0.00 0.00 61.98 57.89 2jtm s VAL 8 Cb -0.10 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2jtm s VAL 8 CO 0.35 -0.73 1.37 -0.54 -3.33 0.00 0.00 175.10 172.22 2jtm s LYS 9 N -2.67 3.94 -0.01 1.54 1.02 -1.26 -1.11 119.74 121.19 2jtm s LYS 9 Ca -0.05 1.42 0.03 0.00 0.02 0.00 0.00 55.97 57.39 2jtm s LYS 9 Cb -0.01 -3.90 -0.01 0.00 -0.52 0.00 0.00 37.83 33.39 2jtm s LYS 9 CO -0.05 -1.09 -0.10 0.54 -0.92 0.00 0.00 175.35 173.72 2jtm s VAL 10 N 4.42 0.81 -0.28 3.17 0.11 0.11 -4.94 120.40 123.79 2jtm s VAL 10 Ca 0.60 -0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 59.03 2jtm s VAL 10 Cb -0.20 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 2jtm s VAL 10 CO 0.23 0.23 0.58 -0.54 -3.33 0.00 0.00 175.10 172.28 2jtm s LYS 11 N -0.13 3.98 0.80 1.54 1.02 -1.26 -0.77 119.74 124.92 2jtm s LYS 11 Ca 0.02 0.33 -0.11 0.00 0.02 0.00 0.00 55.97 56.23 2jtm s LYS 11 Cb -0.05 -3.69 0.07 0.00 -0.52 0.00 0.00 37.83 33.64 2jtm s LYS 11 CO -0.00 -0.46 1.09 0.95 -0.92 0.00 0.00 175.35 176.01 2jtm s THR 12 N 2.47 3.16 0.27 2.17 -4.23 0.18 -4.90 115.64 114.75 2jtm s THR 12 Ca 0.23 0.38 0.37 0.00 -1.18 0.00 0.00 61.69 61.49 2jtm s THR 12 Cb -0.15 -2.85 0.40 0.00 1.34 0.00 0.00 72.50 71.24 2jtm s THR 12 CO 0.10 -0.49 2.10 -0.65 -0.54 0.00 0.00 174.62 175.15 2jtm h PRO 13 N -1.24 0.00 0.00 3.99 0.11 -1.96 -0.09 132.00 132.81 2jtm h PRO 13 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 2jtm h PRO 13 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2jtm h PRO 13 CO 0.52 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 177.98 2jtm h ALA 14 N 2.02 0.97 0.00 -0.75 0.00 -2.03 -3.47 119.26 116.00 2jtm h ALA 14 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jtm h ALA 14 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jtm h ALA 14 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2jtm n GLY 15 N 0.32 1.70 3.85 0.00 0.00 -0.05 -5.11 105.19 105.91 2jtm n GLY 15 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.08 3.98 -0.24 1.61 0.00 -1.26 -4.78 119.74 118.98 2jtm s LYS 16 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 55.97 56.33 2jtm s LYS 16 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 37.83 35.06 2jtm s LYS 16 CO 0.00 0.35 0.50 -2.00 0.00 0.00 0.00 175.35 174.21 2jtm s GLU 17 N -2.41 4.12 0.09 1.78 2.12 -1.26 -0.64 118.70 122.49 2jtm s GLU 17 Ca 0.45 0.34 0.02 0.00 0.36 0.00 0.00 54.97 56.13 2jtm s GLU 17 Cb -0.13 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 2jtm s GLU 17 CO 0.20 -0.26 -0.07 0.00 -0.54 0.00 0.00 175.26 174.59 2jtm s ALA 18 N 2.00 0.88 -0.50 6.30 0.00 0.05 -4.95 121.76 125.54 2jtm s ALA 18 Ca 0.22 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 2jtm s ALA 18 Cb -0.15 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.17 2jtm s ALA 18 CO 0.09 -0.20 0.60 -1.21 0.00 0.00 0.00 175.76 175.04 2jtm s GLU 19 N -3.44 3.11 0.15 0.00 2.02 -1.26 0.03 118.70 119.31 2jtm s GLU 19 Ca 0.08 -0.94 0.09 0.00 0.02 0.00 0.00 54.97 54.21 2jtm s GLU 19 Cb 0.03 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 2jtm s GLU 19 CO -0.04 -1.20 -0.19 -0.51 0.02 0.00 0.00 175.26 173.34 2jtm s LEU 20 N 2.52 2.41 -0.18 1.80 1.43 -0.27 -4.87 118.68 121.52 2jtm s LEU 20 Ca 0.14 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.36 2jtm s LEU 20 Cb -0.20 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2jtm s LEU 20 CO 0.11 -0.01 0.00 0.54 0.23 0.00 0.00 176.35 177.23 2jtm s VAL 21 N -1.83 4.19 0.28 -1.59 0.11 -1.26 -0.60 120.40 119.69 2jtm s VAL 21 Ca 0.14 -0.25 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 2jtm s VAL 21 Cb -0.07 -2.87 -0.10 0.00 -1.53 0.00 0.00 36.38 31.82 2jtm s VAL 21 CO 0.06 0.46 1.30 -2.16 -3.33 0.00 0.00 175.10 171.44 2jtm s PRO 22 N 0.54 4.38 0.00 1.54 0.04 -1.26 -4.67 135.00 135.57 2jtm s PRO 22 Ca -0.01 2.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 2jtm s PRO 22 Cb -0.14 -3.12 -0.23 0.00 0.04 0.00 0.00 34.50 31.06 2jtm s PRO 22 CO 0.02 -0.19 1.11 0.93 0.04 0.00 0.00 177.00 178.91 2jtm h GLU 23 N 4.18 0.40 -4.26 4.56 4.39 -0.70 -3.46 114.58 119.68 2jtm h GLU 23 Ca -0.47 -0.41 -0.25 0.00 0.34 0.00 0.00 59.36 58.57 2jtm h GLU 23 Cb 1.22 0.11 -0.23 0.00 -0.10 0.00 0.00 28.75 29.75 2jtm h GLU 23 CO 0.70 1.07 -0.73 -1.59 -1.16 0.00 0.00 179.01 177.31 2jtm s LYS 24 N -3.28 0.39 0.03 2.33 -2.85 -1.25 -5.00 119.74 110.10 2jtm s LYS 24 Ca -0.13 -0.51 0.05 0.00 -1.00 0.00 0.00 55.97 54.37 2jtm s LYS 24 Cb 0.04 -0.18 -0.02 0.00 -2.06 0.00 0.00 37.83 35.61 2jtm s LYS 24 CO 0.81 0.03 -0.14 0.14 0.10 0.00 0.00 175.35 176.30 2jtm s VAL 25 N -0.97 1.09 0.06 1.79 -7.23 -1.26 -1.01 120.40 112.86 2jtm s VAL 25 Ca -0.08 -0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 2jtm s VAL 25 Cb -0.07 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 35.93 2jtm s VAL 25 CO -0.00 0.06 0.39 -1.66 -0.31 0.00 0.00 175.10 173.58 2jtm s TRP 26 N -0.75 -0.23 -0.07 2.82 -2.14 -0.06 -5.01 118.94 113.51 2jtm s TRP 26 Ca 0.02 0.13 0.06 0.00 2.66 0.00 0.00 56.10 58.97 2jtm s TRP 26 Cb -0.07 0.20 -0.01 0.00 -3.10 0.00 0.00 33.47 30.49 2jtm s TRP 26 CO 0.01 -0.58 -0.24 0.00 -2.66 0.00 0.00 176.95 173.47 2jtm s ALA 27 N -2.70 2.14 -0.26 2.67 0.00 -1.26 -0.20 121.76 122.16 2jtm s ALA 27 Ca -0.04 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2jtm s ALA 27 Cb -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2jtm s ALA 27 CO -0.04 0.38 0.12 -0.51 0.00 0.00 0.00 175.76 175.71 2jtm s LEU 28 N -0.04 3.70 -0.26 0.00 1.02 0.12 -4.87 118.68 118.35 2jtm s LEU 28 Ca -0.07 -0.11 -0.12 0.00 0.02 0.00 0.00 54.13 53.85 2jtm s LEU 28 Cb -0.15 -2.01 -0.05 0.00 0.02 0.00 0.00 46.19 44.01 2jtm s LEU 28 CO 0.05 -0.03 0.22 0.00 0.02 0.00 0.00 176.35 176.61 2jtm s ALA 29 N 1.59 3.57 -1.43 4.21 0.00 -1.26 0.10 121.76 128.53 2jtm s ALA 29 Ca 0.06 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 2jtm s ALA 29 Cb -0.15 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.55 2jtm s ALA 29 CO 0.06 -0.41 2.51 -0.35 0.00 0.00 0.00 175.76 177.58 2jtm n PRO 30 N 4.76 4.09 -3.05 0.00 -0.05 -1.26 -4.50 135.00 134.99 2jtm n PRO 30 Ca -0.13 -3.00 -0.13 0.00 -0.05 0.00 0.00 63.50 60.19 2jtm n PRO 30 Cb 0.52 -2.76 0.07 0.00 -0.05 0.00 0.00 33.50 31.27 2jtm n PRO 30 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 2jtm n LYS 31 N 2.85 -4.03 0.00 0.54 5.02 -1.26 -4.58 118.16 116.70 2jtm n LYS 31 Ca 0.65 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.62 2jtm n LYS 31 Cb 0.26 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.18 2jtm n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtm n GLY 32 N -1.17 1.15 5.00 0.72 0.00 -1.26 -4.97 105.19 104.66 2jtm n GLY 32 Ca -0.17 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2jtm n GLY 32 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jtm n ARG 33 N 2.03 0.00 0.00 1.61 0.63 -1.26 -3.40 116.66 116.27 2jtm n ARG 33 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jtm n ARG 33 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2jtm n ARG 33 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2jtm n LYS 34 N 0.00 0.00 0.00 -0.14 4.81 -1.26 -5.14 118.16 116.43 2jtm n LYS 34 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jtm n LYS 34 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2jtm n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jtm n GLY 35 N 0.00 3.91 3.63 3.14 0.00 -1.22 -4.98 105.19 109.67 2jtm n GLY 35 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.25 4.84 -0.22 1.61 1.01 0.11 -4.81 120.40 122.70 2jtm s VAL 36 Ca 0.00 1.30 -0.13 0.00 0.00 0.00 0.00 61.98 63.15 2jtm s VAL 36 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2jtm s VAL 36 CO 0.00 -0.14 0.28 -0.54 0.00 0.00 0.00 175.10 174.70 2jtm s LYS 37 N 2.84 4.13 -0.04 2.72 1.02 -1.26 0.14 119.74 129.29 2jtm s LYS 37 Ca 0.32 -0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.34 2jtm s LYS 37 Cb -0.15 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 2jtm s LYS 37 CO 0.10 0.02 -0.19 0.42 -0.92 0.00 0.00 175.35 174.78 2jtm s ILE 38 N 1.15 1.58 0.08 2.17 1.01 0.72 0.83 121.20 128.75 2jtm s ILE 38 Ca 0.14 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.05 2jtm s ILE 38 Cb -0.14 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2jtm s ILE 38 CO 0.06 0.45 -0.21 -0.83 0.00 0.00 0.00 174.94 174.41 2jtm s GLY 39 N -0.17 1.21 -0.23 6.18 0.00 -0.15 -0.88 107.32 113.28 2jtm s GLY 39 Ca 0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 2jtm s GLY 39 CO 0.01 -1.17 0.20 -2.27 0.00 0.00 0.00 173.10 169.88 2jtm s LEU 40 N -1.67 4.14 0.39 0.66 2.96 -0.18 -1.03 118.68 123.96 2jtm s LEU 40 Ca 0.07 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.27 2jtm s LEU 40 Cb -0.10 -2.19 -0.08 0.00 0.50 0.00 0.00 46.19 44.33 2jtm s LEU 40 CO 0.03 0.05 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.75 2jtm s PHE 41 N 1.00 2.48 -0.10 5.38 0.40 0.11 0.11 117.98 127.37 2jtm s PHE 41 Ca 0.10 -0.64 -0.01 0.00 -0.60 0.00 0.00 56.93 55.78 2jtm s PHE 41 Cb -0.13 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.75 2jtm s PHE 41 CO 0.04 0.47 -0.05 0.21 0.70 0.00 0.00 175.22 176.60 2jtm s LYS 42 N -3.69 1.16 -0.13 0.44 2.20 -1.26 -0.12 119.74 118.34 2jtm s LYS 42 Ca 0.34 -0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.55 2jtm s LYS 42 Cb 0.08 -1.34 -0.01 0.00 -1.51 0.00 0.00 37.83 35.05 2jtm s LYS 42 CO 0.18 -0.28 1.03 0.34 -0.36 0.00 0.00 175.35 176.26 2jtm s ASP 43 N 1.81 7.20 0.24 1.43 2.15 0.31 -4.92 116.67 124.90 2jtm s ASP 43 Ca 0.05 1.52 0.25 0.00 0.43 0.00 0.00 52.55 54.80 2jtm s ASP 43 Cb -0.12 -2.55 0.93 0.00 -0.30 0.00 0.00 42.92 40.87 2jtm s ASP 43 CO -0.07 -0.51 1.74 -0.81 -0.17 0.00 0.00 175.17 175.35 2jtm n PRO 44 N 5.31 0.22 -0.09 4.34 -0.04 -1.26 -0.32 135.00 143.16 2jtm n PRO 44 Ca 0.10 0.35 -0.23 0.00 -0.04 0.00 0.00 63.50 63.68 2jtm n PRO 44 Cb 0.48 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 2jtm n PRO 44 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jtm n GLU 45 N -2.26 0.62 0.09 0.54 2.13 -1.26 -4.31 120.64 116.19 2jtm n GLU 45 Ca 0.03 0.39 -0.19 0.00 0.66 0.00 0.00 57.16 58.06 2jtm n GLU 45 Cb 0.30 -1.66 -0.15 0.00 0.27 0.00 0.00 31.44 30.21 2jtm n GLU 45 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2jtm h THR 46 N -0.67 1.22 0.00 6.31 1.35 -1.99 -3.48 112.91 115.65 2jtm h THR 46 Ca -0.47 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 62.59 2jtm h THR 46 Cb 1.60 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.86 2jtm h THR 46 CO -0.19 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 2jtm n GLY 47 N 1.67 1.02 3.42 5.82 0.00 0.56 -5.07 105.19 112.62 2jtm n GLY 47 Ca -0.16 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.74 1.54 0.09 1.61 -2.85 -1.19 -4.89 119.74 112.30 2jtm s LYS 48 Ca 0.00 -1.74 -0.14 0.00 -1.00 0.00 0.00 55.97 53.08 2jtm s LYS 48 Cb 0.00 -1.30 -0.06 0.00 -2.06 0.00 0.00 37.83 34.41 2jtm s LYS 48 CO 0.00 0.14 0.49 0.71 0.10 0.00 0.00 175.35 176.78 2jtm s TYR 49 N -2.88 3.66 -0.09 1.78 1.51 -1.26 -0.53 117.35 119.54 2jtm s TYR 49 Ca 0.28 1.02 -0.09 0.00 -1.01 0.00 0.00 57.07 57.28 2jtm s TYR 49 Cb 0.01 -2.33 0.02 0.00 -0.11 0.00 0.00 41.96 39.56 2jtm s TYR 49 CO 0.11 0.53 0.25 -0.59 -1.11 0.00 0.00 175.55 174.74 2jtm s PHE 50 N -1.30 -0.27 -0.00 2.71 -0.71 0.83 -4.96 117.98 114.27 2jtm s PHE 50 Ca 0.32 0.67 -0.12 0.00 -1.04 0.00 0.00 56.93 56.76 2jtm s PHE 50 Cb -0.16 0.09 -0.05 0.00 -1.21 0.00 0.00 43.02 41.69 2jtm s PHE 50 CO 0.18 -0.13 0.35 -0.98 -1.34 0.00 0.00 175.22 173.29 2jtm s ARG 51 N 0.14 3.78 -0.01 1.99 1.70 -1.26 0.10 118.95 125.38 2jtm s ARG 51 Ca -0.00 0.23 -0.11 0.00 -0.47 0.00 0.00 55.73 55.39 2jtm s ARG 51 Cb -0.02 -3.15 0.01 0.00 -0.57 0.00 0.00 34.95 31.22 2jtm s ARG 51 CO 0.00 0.67 0.22 -1.58 -1.08 0.00 0.00 175.30 173.54 2jtm s HIS 52 N -1.16 -0.08 0.35 5.89 2.46 -0.19 -4.97 115.29 117.58 2jtm s HIS 52 Ca 0.25 0.11 -0.25 0.00 0.47 0.00 0.00 55.06 55.63 2jtm s HIS 52 Cb -0.15 0.03 -0.10 0.00 -0.13 0.00 0.00 32.58 32.23 2jtm s HIS 52 CO 0.13 -0.32 0.98 -1.59 -2.47 0.00 0.00 174.74 171.48 2jtm s LYS 53 N -1.22 4.43 0.54 2.88 0.00 -1.26 -0.98 119.74 124.14 2jtm s LYS 53 Ca -0.13 1.39 0.05 0.00 0.00 0.00 0.00 55.97 57.29 2jtm s LYS 53 Cb -0.06 -2.70 0.05 0.00 0.00 0.00 0.00 37.83 35.12 2jtm s LYS 53 CO 0.03 0.13 0.74 -0.51 0.00 0.00 0.00 175.35 175.74 2jtm s LEU 54 N -2.28 3.32 0.40 2.77 1.43 0.24 -4.88 118.68 119.69 2jtm s LEU 54 Ca 0.53 -0.37 -0.26 0.00 -1.03 0.00 0.00 54.13 53.00 2jtm s LEU 54 Cb -0.20 -2.41 -0.09 0.00 0.03 0.00 0.00 46.19 43.53 2jtm s LEU 54 CO 0.25 -1.17 1.28 -2.84 0.23 0.00 0.00 176.35 174.10 2jtm s PRO 55 N -4.67 3.98 0.54 1.29 0.02 -1.26 -4.48 135.00 130.43 2jtm s PRO 55 Ca 0.59 2.10 0.29 0.00 0.02 0.00 0.00 61.00 64.00 2jtm s PRO 55 Cb -0.09 -2.74 1.57 0.00 0.02 0.00 0.00 34.50 33.26 2jtm s PRO 55 CO 0.38 -0.47 2.12 0.38 -0.33 0.00 0.00 177.00 179.08 2jtm h ASP 56 N 2.67 0.00 0.82 2.53 3.04 -1.92 -1.62 116.42 121.93 2jtm h ASP 56 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2jtm h ASP 56 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 2jtm h ASP 56 CO 0.63 0.09 -0.47 -0.67 -2.04 0.00 0.00 179.24 176.77 2jtm n ASP 57 N -3.61 0.57 -4.67 4.15 2.03 -1.26 -4.87 116.55 108.90 2jtm n ASP 57 Ca -0.02 0.09 -0.42 0.00 0.52 0.00 0.00 54.79 54.96 2jtm n ASP 57 Cb 0.21 0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 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 -3.09 1.89 -0.53 -0.67 5.04 -0.61 -4.91 117.35 114.47 2jtm s TYR 58 Ca 0.09 0.04 -0.29 0.00 -2.44 0.00 0.00 57.07 54.47 2jtm s TYR 58 Cb 0.15 -4.02 0.03 0.00 0.35 0.00 0.00 41.96 38.47 2jtm s TYR 58 CO 0.68 -4.33 1.22 -1.25 -1.34 0.00 0.00 175.55 170.54 2jtm s PRO 59 N 3.83 3.57 0.00 4.97 0.05 -1.26 -4.94 135.00 141.22 2jtm s PRO 59 Ca 0.78 0.45 0.24 0.00 0.05 0.00 0.00 61.00 62.52 2jtm s PRO 59 Cb -0.37 -3.99 0.22 0.00 0.05 0.00 0.00 34.50 30.41 2jtm s PRO 59 CO 0.33 -1.60 1.28 0.44 0.05 0.00 0.00 177.00 177.51