#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 3.31 -3.00 6.12 7.64 -1.26 -1.91 113.62 124.53 2jtm n SER 2 Ca 0.00 0.49 -0.17 0.00 1.01 0.00 0.00 58.87 60.20 2jtm n SER 2 Cb 0.00 -1.48 0.07 0.00 -1.01 0.00 0.00 64.21 61.79 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 9.84 -3.96 -4.56 6.43 7.64 -1.26 -4.93 113.62 122.83 2jtm n SER 3 Ca 0.29 -0.47 -0.39 0.00 1.01 0.00 0.00 58.87 59.31 2jtm n SER 3 Cb 0.38 -4.22 -0.03 0.00 -1.01 0.00 0.00 64.21 59.33 2jtm n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jtm s GLY 4 N -3.65 0.95 0.16 0.23 0.00 -0.80 -4.96 107.32 99.25 2jtm s GLY 4 Ca 0.26 -1.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.04 2jtm s GLY 4 CO 0.59 2.84 0.49 -1.59 0.00 0.00 0.00 173.10 175.43 2jtm s LYS 5 N 5.58 3.82 -0.27 2.90 -2.85 -1.26 -5.03 119.74 122.63 2jtm s LYS 5 Ca 0.48 0.26 -0.01 0.00 -1.00 0.00 0.00 55.97 55.71 2jtm s LYS 5 Cb -0.04 -2.84 0.14 0.00 -2.06 0.00 0.00 37.83 33.03 2jtm s LYS 5 CO -0.01 0.44 0.36 0.21 0.10 0.00 0.00 175.35 176.45 2jtm s LYS 6 N -2.33 0.35 0.36 1.78 2.36 -1.26 -5.15 119.74 115.84 2jtm s LYS 6 Ca 0.40 0.23 -0.18 0.00 -2.55 0.00 0.00 55.97 53.87 2jtm s LYS 6 Cb -0.13 -0.52 -0.10 0.00 -1.05 0.00 0.00 37.83 36.03 2jtm s LYS 6 CO 0.20 -0.86 0.83 -1.25 1.55 0.00 0.00 175.35 175.82 2jtm s PRO 7 N 2.49 4.14 0.05 4.03 0.04 -1.26 -4.64 135.00 139.85 2jtm s PRO 7 Ca 0.11 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.12 2jtm s PRO 7 Cb -0.14 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2jtm s PRO 7 CO -0.24 0.11 -0.25 0.54 0.04 0.00 0.00 177.00 177.21 2jtm s VAL 8 N -2.00 1.99 -0.44 -0.36 0.11 -0.41 -4.84 120.40 114.46 2jtm s VAL 8 Ca 0.56 -1.36 -0.28 0.00 -2.93 0.00 0.00 61.98 57.97 2jtm s VAL 8 Cb -0.11 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.03 2jtm s VAL 8 CO 0.16 0.29 1.52 -0.54 -3.33 0.00 0.00 175.10 173.20 2jtm s LYS 9 N -1.28 3.41 0.00 1.54 1.02 -1.26 -1.11 119.74 122.06 2jtm s LYS 9 Ca 0.10 0.91 0.08 0.00 0.02 0.00 0.00 55.97 57.09 2jtm s LYS 9 Cb -0.10 -4.10 -0.02 0.00 -0.52 0.00 0.00 37.83 33.09 2jtm s LYS 9 CO 0.02 -1.77 -0.24 0.54 -0.92 0.00 0.00 175.35 172.98 2jtm s VAL 10 N 6.07 1.95 -0.28 3.17 0.11 0.26 -4.89 120.40 126.79 2jtm s VAL 10 Ca 0.63 -1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.26 2jtm s VAL 10 Cb -0.15 -1.63 0.01 0.00 -1.53 0.00 0.00 36.38 33.08 2jtm s VAL 10 CO 0.31 0.47 1.12 -0.54 -3.33 0.00 0.00 175.10 173.13 2jtm s LYS 11 N -0.78 4.10 0.68 1.54 1.02 -1.26 -1.71 119.74 123.32 2jtm s LYS 11 Ca 0.10 1.21 -0.06 0.00 0.02 0.00 0.00 55.97 57.24 2jtm s LYS 11 Cb -0.09 -3.74 0.05 0.00 -0.52 0.00 0.00 37.83 33.52 2jtm s LYS 11 CO -0.00 -0.86 0.98 0.95 -0.92 0.00 0.00 175.35 175.50 2jtm s THR 12 N 3.66 2.55 0.49 2.17 -4.23 0.63 -4.93 115.64 115.98 2jtm s THR 12 Ca 0.48 -0.24 0.35 0.00 -1.18 0.00 0.00 61.69 61.10 2jtm s THR 12 Cb -0.14 -3.09 0.38 0.00 1.34 0.00 0.00 72.50 70.99 2jtm s THR 12 CO 0.15 -0.09 2.20 -0.65 -0.54 0.00 0.00 174.62 175.69 2jtm h PRO 13 N -0.49 0.00 0.00 3.99 0.11 -1.96 0.33 132.00 133.98 2jtm h PRO 13 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jtm h PRO 13 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2jtm h PRO 13 CO 0.60 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 2jtm n ALA 14 N -2.18 1.77 -0.27 -0.75 0.00 -1.26 -4.88 120.51 112.94 2jtm n ALA 14 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2jtm n ALA 14 Cb 0.16 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2jtm n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtm n GLY 15 N 0.24 0.74 3.59 0.00 0.00 0.10 -5.05 105.19 104.82 2jtm n GLY 15 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.73 2.07 -0.14 1.61 -2.85 -1.26 -4.80 119.74 113.64 2jtm s LYS 16 Ca 0.00 -1.59 -0.07 0.00 -1.00 0.00 0.00 55.97 53.31 2jtm s LYS 16 Cb 0.00 -2.00 -0.04 0.00 -2.06 0.00 0.00 37.83 33.73 2jtm s LYS 16 CO 0.00 0.30 0.09 -1.21 0.10 0.00 0.00 175.35 174.63 2jtm s GLU 17 N -3.64 3.63 0.04 1.78 2.02 -1.26 -0.27 118.70 121.01 2jtm s GLU 17 Ca 0.32 -0.25 -0.03 0.00 0.02 0.00 0.00 54.97 55.02 2jtm s GLU 17 Cb -0.05 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 2jtm s GLU 17 CO 0.18 0.55 0.04 0.00 0.02 0.00 0.00 175.26 176.06 2jtm s ALA 18 N -0.39 0.11 -0.54 5.21 0.00 -0.70 -4.91 121.76 120.55 2jtm s ALA 18 Ca 0.10 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 2jtm s ALA 18 Cb -0.12 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.30 2jtm s ALA 18 CO 0.02 -0.31 0.81 -1.21 0.00 0.00 0.00 175.76 175.06 2jtm s GLU 19 N -2.79 3.23 -0.05 0.00 2.02 -1.25 -0.57 118.70 119.28 2jtm s GLU 19 Ca -0.03 -0.57 0.05 0.00 0.02 0.00 0.00 54.97 54.43 2jtm s GLU 19 Cb -0.00 -4.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.12 2jtm s GLU 19 CO -0.06 -1.40 -0.20 -0.51 0.02 0.00 0.00 175.26 173.12 2jtm s LEU 20 N 3.39 2.40 -0.25 1.80 1.43 -0.27 -4.76 118.68 122.43 2jtm s LEU 20 Ca 0.23 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 2jtm s LEU 20 Cb -0.16 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2jtm s LEU 20 CO 0.15 0.30 0.41 0.54 0.23 0.00 0.00 176.35 177.99 2jtm s VAL 21 N -0.48 5.16 0.39 -1.59 0.11 -1.26 -1.28 120.40 121.44 2jtm s VAL 21 Ca 0.06 0.68 -0.28 0.00 -2.93 0.00 0.00 61.98 59.51 2jtm s VAL 21 Cb -0.12 -3.73 -0.10 0.00 -1.53 0.00 0.00 36.38 30.90 2jtm s VAL 21 CO 0.01 0.17 1.46 -2.16 -3.33 0.00 0.00 175.10 171.25 2jtm s PRO 22 N 1.87 4.05 0.10 1.54 0.04 -1.26 -4.87 135.00 136.46 2jtm s PRO 22 Ca 0.18 2.51 -0.16 0.00 0.04 0.00 0.00 61.00 63.57 2jtm s PRO 22 Cb -0.15 -2.92 -0.07 0.00 0.04 0.00 0.00 34.50 31.40 2jtm s PRO 22 CO 0.09 -0.56 1.47 0.93 0.04 0.00 0.00 177.00 178.98 2jtm h GLU 23 N 2.90 0.64 -3.92 4.56 4.39 -0.71 -3.44 114.58 119.00 2jtm h GLU 23 Ca -0.51 -0.27 -0.28 0.00 0.34 0.00 0.00 59.36 58.64 2jtm h GLU 23 Cb 1.24 -0.02 -0.29 0.00 -0.10 0.00 0.00 28.75 29.58 2jtm h GLU 23 CO 0.64 0.86 -0.74 0.21 -1.16 0.00 0.00 179.01 178.82 2jtm s LYS 24 N -4.64 0.18 0.04 2.33 2.20 -1.24 -5.00 119.74 113.62 2jtm s LYS 24 Ca -0.13 -0.05 0.08 0.00 -0.36 0.00 0.00 55.97 55.51 2jtm s LYS 24 Cb 0.09 -0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 2jtm s LYS 24 CO 0.80 0.02 -0.23 0.14 -0.36 0.00 0.00 175.35 175.72 2jtm s VAL 25 N 0.13 1.82 0.14 4.02 -7.23 -1.26 -0.90 120.40 117.12 2jtm s VAL 25 Ca -0.01 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.77 2jtm s VAL 25 Cb -0.03 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.36 2jtm s VAL 25 CO -0.00 0.27 0.38 -1.66 -0.31 0.00 0.00 175.10 173.78 2jtm s TRP 26 N -0.78 -0.04 -0.05 2.82 -2.14 -0.29 -5.01 118.94 113.44 2jtm s TRP 26 Ca 0.09 -0.31 0.01 0.00 2.66 0.00 0.00 56.10 58.55 2jtm s TRP 26 Cb -0.09 0.19 0.02 0.00 -3.10 0.00 0.00 33.47 30.50 2jtm s TRP 26 CO 0.02 -0.73 -0.04 0.00 -2.66 0.00 0.00 176.95 173.54 2jtm s ALA 27 N -3.85 0.68 -0.75 2.67 0.00 -1.26 -0.35 121.76 118.89 2jtm s ALA 27 Ca 0.07 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 2jtm s ALA 27 Cb 0.02 -0.47 0.13 0.00 0.00 0.00 0.00 23.12 22.80 2jtm s ALA 27 CO -0.08 -0.08 0.88 -0.51 0.00 0.00 0.00 175.76 175.96 2jtm s LEU 28 N 1.07 5.47 -0.35 0.00 1.02 0.14 -4.84 118.68 121.18 2jtm s LEU 28 Ca -0.09 -1.85 -0.09 0.00 0.02 0.00 0.00 54.13 52.13 2jtm s LEU 28 Cb -0.14 -2.32 0.03 0.00 0.02 0.00 0.00 46.19 43.78 2jtm s LEU 28 CO -0.01 -1.02 0.16 0.00 0.02 0.00 0.00 176.35 175.50 2jtm s ALA 29 N 2.30 3.17 0.00 4.21 0.00 -1.26 -0.82 121.76 129.35 2jtm s ALA 29 Ca 0.20 -1.72 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 2jtm s ALA 29 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 2jtm s ALA 29 CO -0.02 -1.34 0.88 -1.35 0.00 0.00 0.00 175.76 173.93 2jtm h PRO 30 N 8.33 -0.09 -1.21 0.00 0.11 -1.94 -3.47 132.00 133.73 2jtm h PRO 30 Ca -0.25 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.00 2jtm h PRO 30 Cb 1.10 0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.01 2jtm h PRO 30 CO 0.64 -0.06 -0.05 -1.59 -0.21 0.00 0.00 178.00 176.73 2jtm s LYS 31 N -2.89 0.45 -1.14 1.05 -2.85 -1.26 -4.98 119.74 108.13 2jtm s LYS 31 Ca -0.01 0.98 -0.04 0.00 -1.00 0.00 0.00 55.97 55.90 2jtm s LYS 31 Cb 0.00 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 2jtm s LYS 31 CO 0.04 -0.30 0.97 0.41 0.10 0.00 0.00 175.35 176.57 2jtm n GLY 32 N 5.33 -0.33 3.44 0.59 0.00 -1.26 -5.01 105.19 107.95 2jtm n GLY 32 Ca -0.07 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 2jtm n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtm s ARG 33 N -5.66 1.59 0.25 1.61 1.81 -1.26 -5.03 118.95 112.25 2jtm s ARG 33 Ca 0.25 -1.85 0.01 0.00 -1.72 0.00 0.00 55.73 52.42 2jtm s ARG 33 Cb -0.11 -0.99 0.30 0.00 -0.45 0.00 0.00 34.95 33.70 2jtm s ARG 33 CO 0.65 -0.08 1.64 -0.22 -0.68 0.00 0.00 175.30 176.61 2jtm h LYS 34 N 2.20 0.49 0.00 3.54 1.63 -1.95 -3.48 116.57 119.00 2jtm h LYS 34 Ca -0.40 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.17 2jtm h LYS 34 Cb 1.24 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2jtm h LYS 34 CO 0.69 0.78 0.00 0.41 -3.45 0.00 0.00 179.45 177.88 2jtm n GLY 35 N -0.14 1.91 3.57 5.01 0.00 -1.26 -4.95 105.19 109.33 2jtm n GLY 35 Ca -0.01 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 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 3.70 0.06 1.61 1.01 -0.00 -4.76 120.40 122.02 2jtm s VAL 36 Ca 0.00 0.54 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2jtm s VAL 36 Cb 0.00 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 2jtm s VAL 36 CO 0.00 -1.27 0.67 -0.54 0.00 0.00 0.00 175.10 173.96 2jtm s LYS 37 N 5.79 4.39 0.00 2.72 1.02 -1.26 0.24 119.74 132.65 2jtm s LYS 37 Ca 0.51 0.91 0.02 0.00 0.02 0.00 0.00 55.97 57.43 2jtm s LYS 37 Cb -0.11 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 2jtm s LYS 37 CO 0.22 0.45 -0.05 0.42 -0.92 0.00 0.00 175.35 175.47 2jtm s ILE 38 N -0.56 0.39 0.05 2.17 1.01 0.52 0.50 121.20 125.28 2jtm s ILE 38 Ca 0.34 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.70 2jtm s ILE 38 Cb -0.20 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 2jtm s ILE 38 CO 0.21 0.03 -0.13 -0.83 0.00 0.00 0.00 174.94 174.22 2jtm s GLY 39 N -0.33 0.78 -0.22 6.18 0.00 -0.13 -1.14 107.32 112.46 2jtm s GLY 39 Ca -0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 44.72 43.71 2jtm s GLY 39 CO -0.00 -0.86 0.35 -2.27 0.00 0.00 0.00 173.10 170.31 2jtm s LEU 40 N -1.34 4.12 0.41 0.66 2.96 -0.08 -0.96 118.68 124.45 2jtm s LEU 40 Ca -0.00 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 2jtm s LEU 40 Cb -0.09 -2.41 -0.07 0.00 0.50 0.00 0.00 46.19 44.12 2jtm s LEU 40 CO 0.01 -0.07 0.04 -0.36 -1.32 0.00 0.00 176.35 174.65 2jtm s PHE 41 N 1.42 2.53 -0.15 5.38 0.08 0.13 0.10 117.98 127.47 2jtm s PHE 41 Ca 0.16 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.56 2jtm s PHE 41 Cb -0.15 -1.81 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 2jtm s PHE 41 CO 0.08 0.40 -0.17 0.21 -0.10 0.00 0.00 175.22 175.64 2jtm s LYS 42 N -3.74 3.17 0.16 0.44 2.20 -1.26 -0.25 119.74 120.46 2jtm s LYS 42 Ca 0.36 -0.78 -0.31 0.00 -0.36 0.00 0.00 55.97 54.89 2jtm s LYS 42 Cb 0.09 -2.56 -0.08 0.00 -1.51 0.00 0.00 37.83 33.76 2jtm s LYS 42 CO 0.19 0.04 1.34 0.34 -0.36 0.00 0.00 175.35 176.89 2jtm s ASP 43 N 0.75 6.87 0.10 1.43 -1.08 0.89 -4.93 116.67 120.71 2jtm s ASP 43 Ca -0.07 2.36 0.27 0.00 -0.52 0.00 0.00 52.55 54.59 2jtm s ASP 43 Cb -0.16 -2.60 0.89 0.00 -1.46 0.00 0.00 42.92 39.60 2jtm s ASP 43 CO 0.01 -0.57 1.75 -0.81 0.52 0.00 0.00 175.17 176.06 2jtm n PRO 44 N 3.18 0.14 -0.13 4.34 -0.04 -1.26 -1.88 135.00 139.36 2jtm n PRO 44 Ca 0.08 0.10 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 2jtm n PRO 44 Cb 0.43 -1.65 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.58 0.02 0.54 -0.58 -1.26 -4.61 120.64 113.45 2jtm n GLU 45 Ca 0.06 0.33 -0.18 0.00 -0.42 0.00 0.00 57.16 56.95 2jtm n GLU 45 Cb 0.39 -1.55 -0.14 0.00 -0.57 0.00 0.00 31.44 29.57 2jtm n GLU 45 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2jtm h THR 46 N -1.00 0.82 0.00 2.62 1.35 -2.00 -3.48 112.91 111.22 2jtm h THR 46 Ca -0.56 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 62.78 2jtm h THR 46 Cb 1.47 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.48 2jtm h THR 46 CO -0.34 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 2jtm n GLY 47 N 1.83 0.32 3.84 5.82 0.00 -0.79 -5.06 105.19 111.15 2jtm n GLY 47 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.93 4.06 -0.17 1.61 -2.85 -1.26 -4.57 119.74 115.63 2jtm s LYS 48 Ca 0.00 0.94 -0.20 0.00 -1.00 0.00 0.00 55.97 55.70 2jtm s LYS 48 Cb 0.00 -2.22 -0.03 0.00 -2.06 0.00 0.00 37.83 33.52 2jtm s LYS 48 CO 0.00 -0.08 0.60 0.71 0.10 0.00 0.00 175.35 176.67 2jtm s TYR 49 N -2.32 3.42 -0.01 1.78 1.51 -1.26 -0.07 117.35 120.40 2jtm s TYR 49 Ca 0.59 0.94 0.05 0.00 -1.01 0.00 0.00 57.07 57.64 2jtm s TYR 49 Cb -0.10 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.00 2jtm s TYR 49 CO 0.22 -0.08 -0.17 -0.59 -1.11 0.00 0.00 175.55 173.82 2jtm s PHE 50 N 1.54 1.49 -0.14 2.71 -0.71 0.66 -4.93 117.98 118.60 2jtm s PHE 50 Ca 0.29 -0.29 -0.07 0.00 -1.04 0.00 0.00 56.93 55.82 2jtm s PHE 50 Cb -0.16 -0.95 -0.04 0.00 -1.21 0.00 0.00 43.02 40.66 2jtm s PHE 50 CO 0.11 -0.01 0.11 -0.98 -1.34 0.00 0.00 175.22 173.11 2jtm s ARG 51 N -0.48 3.61 0.01 1.99 1.70 -1.26 0.18 118.95 124.69 2jtm s ARG 51 Ca 0.06 -0.21 0.00 0.00 -0.47 0.00 0.00 55.73 55.11 2jtm s ARG 51 Cb -0.07 -3.19 -0.01 0.00 -0.57 0.00 0.00 34.95 31.12 2jtm s ARG 51 CO -0.00 0.60 -0.02 -1.58 -1.08 0.00 0.00 175.30 173.22 2jtm s HIS 52 N -0.54 0.14 0.30 5.89 2.46 -0.14 -4.96 115.29 118.44 2jtm s HIS 52 Ca 0.12 -0.21 -0.29 0.00 0.47 0.00 0.00 55.06 55.15 2jtm s HIS 52 Cb -0.12 -0.10 -0.10 0.00 -0.13 0.00 0.00 32.58 32.14 2jtm s HIS 52 CO 0.02 -0.07 1.21 -1.59 -2.47 0.00 0.00 174.74 171.84 2jtm s LYS 53 N -0.57 4.49 0.63 2.88 0.00 -1.26 -0.95 119.74 124.95 2jtm s LYS 53 Ca -0.06 2.02 0.02 0.00 0.00 0.00 0.00 55.97 57.95 2jtm s LYS 53 Cb -0.04 -3.13 0.08 0.00 0.00 0.00 0.00 37.83 34.74 2jtm s LYS 53 CO -0.00 -0.01 0.88 -0.51 0.00 0.00 0.00 175.35 175.70 2jtm s LEU 54 N -1.50 3.12 0.38 2.77 1.43 0.18 -4.87 118.68 120.20 2jtm s LEU 54 Ca 0.47 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.00 2jtm s LEU 54 Cb -0.36 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 2jtm s LEU 54 CO 0.46 -1.50 1.35 -2.84 0.23 0.00 0.00 176.35 174.05 2jtm s PRO 55 N -4.92 4.07 0.51 1.29 0.02 -1.26 -4.55 135.00 130.16 2jtm s PRO 55 Ca 0.62 2.27 0.25 0.00 0.02 0.00 0.00 61.00 64.16 2jtm s PRO 55 Cb -0.07 -2.87 1.39 0.00 0.02 0.00 0.00 34.50 32.97 2jtm s PRO 55 CO 0.41 -0.45 2.07 -0.44 -0.33 0.00 0.00 177.00 178.27 2jtm h ASP 56 N 2.89 0.00 -0.71 2.53 3.32 -1.92 -0.98 116.42 121.55 2jtm h ASP 56 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2jtm h ASP 56 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2jtm h ASP 56 CO 0.63 0.12 0.00 0.47 -1.72 0.00 0.00 179.24 178.75 2jtm n ASP 57 N -3.82 4.38 -4.70 6.45 8.00 -1.26 -4.75 116.55 120.84 2jtm n ASP 57 Ca -0.02 -2.21 -0.42 0.00 0.71 0.00 0.00 54.79 52.85 2jtm n ASP 57 Cb 0.22 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jtm s TYR 58 N -1.39 3.23 -0.62 1.24 5.04 -0.37 -4.94 117.35 119.54 2jtm s TYR 58 Ca 0.51 1.12 -0.28 0.00 -2.44 0.00 0.00 57.07 55.99 2jtm s TYR 58 Cb 0.29 -3.52 0.02 0.00 0.35 0.00 0.00 41.96 39.10 2jtm s TYR 58 CO 0.30 -1.72 1.39 -1.25 -1.34 0.00 0.00 175.55 172.93 2jtm s PRO 59 N 1.57 3.23 0.00 4.97 0.04 -1.26 -4.98 135.00 138.57 2jtm s PRO 59 Ca 0.60 0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.93 2jtm s PRO 59 Cb -0.30 -4.15 0.03 0.00 0.04 0.00 0.00 34.50 30.11 2jtm s PRO 59 CO 0.27 -2.04 0.60 0.44 0.04 0.00 0.00 177.00 176.32