#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 2.05 -3.95 6.12 3.41 -1.26 -4.82 113.62 115.17 2jtm n SER 2 Ca 0.00 0.06 -0.31 0.00 -0.26 0.00 0.00 58.87 58.36 2jtm n SER 2 Cb 0.00 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.14 2jtm n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jtm s SER 3 N -6.81 4.09 -0.48 4.04 0.15 -1.26 -4.95 113.70 108.48 2jtm s SER 3 Ca -0.29 -1.41 0.04 0.00 0.70 0.00 0.00 55.95 54.99 2jtm s SER 3 Cb 0.08 -1.26 0.42 0.00 -1.71 0.00 0.00 66.02 63.55 2jtm s SER 3 CO 0.68 -0.27 1.37 0.61 1.20 0.00 0.00 173.24 176.82 2jtm n GLY 4 N 4.59 6.04 3.58 9.45 0.00 -1.26 -4.97 105.19 122.62 2jtm n GLY 4 Ca -0.09 -2.65 -0.32 0.00 0.00 0.00 0.00 46.02 42.96 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 -3.67 2.94 -0.62 1.61 -0.14 -1.26 -4.79 119.74 113.81 2jtm s LYS 5 Ca 0.51 -1.26 0.05 0.00 -1.36 0.00 0.00 55.97 53.91 2jtm s LYS 5 Cb 0.42 -5.30 0.18 0.00 -1.68 0.00 0.00 37.83 31.45 2jtm s LYS 5 CO -0.14 -3.37 0.49 1.63 -0.76 0.00 0.00 175.35 173.20 2jtm n LYS 6 N 8.42 1.49 -2.87 1.68 4.76 -1.26 -5.08 118.16 125.31 2jtm n LYS 6 Ca 0.44 -4.16 -0.41 0.00 -2.87 0.00 0.00 58.31 51.31 2jtm n LYS 6 Cb 0.47 -2.10 -0.04 0.00 -1.84 0.00 0.00 35.03 31.52 2jtm n LYS 6 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jtm s PRO 7 N -1.22 4.31 0.05 1.97 0.04 -1.26 -4.24 135.00 134.64 2jtm s PRO 7 Ca 0.29 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.40 2jtm s PRO 7 Cb 0.01 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 2jtm s PRO 7 CO -0.16 -0.32 0.09 0.54 0.04 0.00 0.00 177.00 177.19 2jtm s VAL 8 N 2.12 4.64 -0.48 -0.36 0.11 -0.14 -4.76 120.40 121.52 2jtm s VAL 8 Ca 0.39 -0.62 -0.28 0.00 -2.93 0.00 0.00 61.98 58.54 2jtm s VAL 8 Cb -0.17 -3.20 0.03 0.00 -1.53 0.00 0.00 36.38 31.52 2jtm s VAL 8 CO 0.13 0.21 1.10 -0.75 -3.33 0.00 0.00 175.10 172.45 2jtm s LYS 9 N -2.16 3.66 0.12 1.54 2.20 -1.26 -0.58 119.74 123.26 2jtm s LYS 9 Ca 0.27 0.44 0.07 0.00 -0.36 0.00 0.00 55.97 56.39 2jtm s LYS 9 Cb -0.12 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 2jtm s LYS 9 CO 0.19 -1.38 -0.16 0.54 -0.36 0.00 0.00 175.35 174.19 2jtm s VAL 10 N 4.35 1.44 0.04 4.02 0.11 0.48 -4.90 120.40 125.95 2jtm s VAL 10 Ca 0.45 -1.67 -0.23 0.00 -2.93 0.00 0.00 61.98 57.60 2jtm s VAL 10 Cb -0.08 -1.52 -0.06 0.00 -1.53 0.00 0.00 36.38 33.19 2jtm s VAL 10 CO 0.30 -0.32 0.71 -0.54 -3.33 0.00 0.00 175.10 171.92 2jtm s LYS 11 N -2.45 4.44 0.65 1.54 1.02 -1.26 -0.88 119.74 122.80 2jtm s LYS 11 Ca 0.08 0.96 -0.03 0.00 0.02 0.00 0.00 55.97 57.00 2jtm s LYS 11 Cb -0.07 -3.34 0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2jtm s LYS 11 CO 0.04 0.35 0.92 0.95 -0.92 0.00 0.00 175.35 176.69 2jtm s THR 12 N -0.25 2.42 -0.42 2.17 -4.23 0.21 -4.89 115.64 110.64 2jtm s THR 12 Ca 0.36 -0.44 0.17 0.00 -1.18 0.00 0.00 61.69 60.60 2jtm s THR 12 Cb -0.20 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.83 2jtm s THR 12 CO 0.21 0.00 1.52 -2.65 -0.54 0.00 0.00 174.62 173.16 2jtm n PRO 13 N -2.70 0.11 0.00 3.99 -0.02 -1.26 -0.37 135.00 134.75 2jtm n PRO 13 Ca 0.08 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 2jtm n PRO 13 Cb 0.60 -1.84 0.47 0.00 -0.02 0.00 0.00 33.50 32.71 2jtm n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jtm n ALA 14 N -1.71 2.97 -0.63 3.55 0.00 -1.26 -4.91 120.51 118.52 2jtm n ALA 14 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2jtm n ALA 14 Cb 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.38 0.65 3.98 0.00 0.00 0.51 -5.05 105.19 106.64 2jtm n GLY 15 Ca 0.11 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2jtm n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtm s LYS 16 N -0.82 3.18 -0.08 1.61 1.02 -1.25 -4.81 119.74 118.58 2jtm s LYS 16 Ca 0.00 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.20 2jtm s LYS 16 Cb 0.00 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2jtm s LYS 16 CO 0.00 0.04 -0.10 -2.00 -0.92 0.00 0.00 175.35 172.38 2jtm s GLU 17 N -4.25 1.57 0.18 1.68 2.12 -1.26 0.64 118.70 119.39 2jtm s GLU 17 Ca 0.44 -0.33 -0.13 0.00 0.36 0.00 0.00 54.97 55.31 2jtm s GLU 17 Cb -0.10 -1.45 0.01 0.00 0.26 0.00 0.00 34.13 32.86 2jtm s GLU 17 CO 0.33 -0.11 0.40 0.00 -0.54 0.00 0.00 175.26 175.34 2jtm s ALA 18 N 1.13 -0.51 -0.21 6.30 0.00 -0.06 -4.94 121.76 123.47 2jtm s ALA 18 Ca -0.06 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.14 2jtm s ALA 18 Cb -0.14 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 2jtm s ALA 18 CO -0.02 -0.72 0.80 -1.21 0.00 0.00 0.00 175.76 174.62 2jtm s GLU 19 N -3.91 4.22 -0.02 0.00 8.01 -1.26 -0.38 118.70 125.35 2jtm s GLU 19 Ca 0.12 0.92 0.05 0.00 0.01 0.00 0.00 54.97 56.07 2jtm s GLU 19 Cb 0.01 -3.61 -0.01 0.00 -4.31 0.00 0.00 34.13 26.21 2jtm s GLU 19 CO -0.02 -0.42 -0.16 -0.51 0.01 0.00 0.00 175.26 174.16 2jtm s LEU 20 N 2.51 1.96 -0.15 1.80 1.43 0.25 -4.86 118.68 121.63 2jtm s LEU 20 Ca 0.35 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.93 2jtm s LEU 20 Cb -0.16 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 2jtm s LEU 20 CO 0.09 0.17 0.65 0.54 0.23 0.00 0.00 176.35 178.04 2jtm s VAL 21 N -0.17 5.03 0.37 -1.59 0.11 -1.26 -0.96 120.40 121.92 2jtm s VAL 21 Ca 0.02 1.28 -0.28 0.00 -2.93 0.00 0.00 61.98 60.07 2jtm s VAL 21 Cb -0.08 -3.98 -0.10 0.00 -1.53 0.00 0.00 36.38 30.69 2jtm s VAL 21 CO 0.00 0.17 1.35 -2.16 -3.33 0.00 0.00 175.10 171.13 2jtm s PRO 22 N 1.46 4.15 0.02 1.54 0.04 -1.26 -4.77 135.00 136.17 2jtm s PRO 22 Ca 0.32 2.27 -0.20 0.00 0.04 0.00 0.00 61.00 63.43 2jtm s PRO 22 Cb -0.16 -2.93 -0.18 0.00 0.04 0.00 0.00 34.50 31.27 2jtm s PRO 22 CO 0.13 -0.39 1.21 0.93 0.04 0.00 0.00 177.00 178.93 2jtm h GLU 23 N 3.02 0.37 -4.00 4.56 4.39 -0.32 -3.46 114.58 119.13 2jtm h GLU 23 Ca -0.50 -0.28 -0.19 0.00 0.34 0.00 0.00 59.36 58.74 2jtm h GLU 23 Cb 1.24 0.05 -0.22 0.00 -0.10 0.00 0.00 28.75 29.72 2jtm h GLU 23 CO 0.64 0.90 -0.71 0.21 -1.16 0.00 0.00 179.01 178.90 2jtm s LYS 24 N -3.75 0.29 0.02 2.33 2.20 -1.19 -4.98 119.74 114.66 2jtm s LYS 24 Ca -0.14 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 2jtm s LYS 24 Cb 0.04 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 2jtm s LYS 24 CO 0.78 -0.03 -0.11 0.14 -0.36 0.00 0.00 175.35 175.76 2jtm s VAL 25 N -1.27 0.89 0.06 4.02 -7.23 -1.26 -0.54 120.40 115.07 2jtm s VAL 25 Ca -0.13 -0.73 -0.13 0.00 -1.81 0.00 0.00 61.98 59.17 2jtm s VAL 25 Cb -0.09 -0.80 0.02 0.00 0.56 0.00 0.00 36.38 36.07 2jtm s VAL 25 CO -0.01 0.06 0.29 -1.66 -0.31 0.00 0.00 175.10 173.47 2jtm s TRP 26 N -0.62 -0.07 -0.08 2.82 -2.14 -0.02 -5.01 118.94 113.83 2jtm s TRP 26 Ca 0.01 -0.13 0.01 0.00 2.66 0.00 0.00 56.10 58.65 2jtm s TRP 26 Cb -0.06 0.08 0.02 0.00 -3.10 0.00 0.00 33.47 30.41 2jtm s TRP 26 CO 0.00 -0.52 -0.08 0.00 -2.66 0.00 0.00 176.95 173.69 2jtm s ALA 27 N -2.85 1.13 -0.91 2.67 0.00 -1.26 -0.41 121.76 120.13 2jtm s ALA 27 Ca -0.03 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2jtm s ALA 27 Cb 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 23.12 22.50 2jtm s ALA 27 CO -0.05 -0.16 1.30 -0.51 0.00 0.00 0.00 175.76 176.34 2jtm s LEU 28 N 1.23 3.85 -0.39 0.00 1.02 0.11 -4.83 118.68 119.67 2jtm s LEU 28 Ca -0.05 -1.34 0.01 0.00 0.02 0.00 0.00 54.13 52.77 2jtm s LEU 28 Cb -0.14 -2.52 0.15 0.00 0.02 0.00 0.00 46.19 43.70 2jtm s LEU 28 CO -0.02 -1.47 0.25 0.00 0.02 0.00 0.00 176.35 175.12 2jtm s ALA 29 N 4.55 1.31 0.26 4.21 0.00 -1.26 -2.17 121.76 128.66 2jtm s ALA 29 Ca 0.39 -2.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.17 2jtm s ALA 29 Cb -0.04 -1.67 0.46 0.00 0.00 0.00 0.00 23.12 21.87 2jtm s ALA 29 CO -0.03 -2.07 1.83 -1.35 0.00 0.00 0.00 175.76 174.13 2jtm h PRO 30 N 6.65 0.89 0.00 0.00 0.11 -1.93 -3.46 132.00 134.26 2jtm h PRO 30 Ca 0.09 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2jtm h PRO 30 Cb 0.94 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2jtm h PRO 30 CO 0.33 0.59 0.00 1.17 -0.21 0.00 0.00 178.00 179.88 2jtm n LYS 31 N -4.67 0.00 -3.72 1.05 4.81 -1.26 -5.06 118.16 109.31 2jtm n LYS 31 Ca 0.16 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.30 2jtm n LYS 31 Cb 0.30 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.21 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 -1.41 1.49 -0.24 3.14 0.00 -1.26 -4.86 107.32 104.19 2jtm s GLY 32 Ca 0.00 -2.32 0.14 0.00 0.00 0.00 0.00 44.72 42.54 2jtm s GLY 32 CO 0.00 1.56 1.32 -2.13 0.00 0.00 0.00 173.10 173.85 2jtm n ARG 33 N 3.94 1.14 0.00 2.90 0.00 -1.26 -5.00 116.66 118.38 2jtm n ARG 33 Ca 0.06 -1.82 0.00 0.00 -0.00 0.00 0.00 57.85 56.09 2jtm n ARG 33 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 32.46 32.72 2jtm n ARG 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2jtm n LYS 34 N -0.92 0.00 0.00 -0.14 5.02 -1.26 -4.00 118.16 116.87 2jtm n LYS 34 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2jtm n LYS 34 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.86 2jtm n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtm n GLY 35 N 0.00 0.77 3.63 0.72 0.00 -1.24 -5.03 105.19 104.04 2jtm n GLY 35 Ca 0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.16 4.04 -0.16 1.61 1.01 -0.92 -4.71 120.40 120.10 2jtm s VAL 36 Ca 0.00 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 2jtm s VAL 36 Cb 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2jtm s VAL 36 CO 0.00 -0.48 0.26 -0.54 0.00 0.00 0.00 175.10 174.35 2jtm s LYS 37 N 4.34 4.21 0.01 2.72 1.02 -1.26 0.06 119.74 130.83 2jtm s LYS 37 Ca 0.59 0.04 0.03 0.00 0.02 0.00 0.00 55.97 56.65 2jtm s LYS 37 Cb -0.18 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 2jtm s LYS 37 CO 0.25 0.28 -0.09 0.42 -0.92 0.00 0.00 175.35 175.29 2jtm s ILE 38 N 0.35 0.69 0.05 2.17 1.01 0.45 0.20 121.20 126.13 2jtm s ILE 38 Ca 0.15 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.26 2jtm s ILE 38 Cb -0.13 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 2jtm s ILE 38 CO 0.03 0.04 -0.16 -0.83 0.00 0.00 0.00 174.94 174.02 2jtm s GLY 39 N -0.62 0.90 -0.18 6.18 0.00 0.01 -0.85 107.32 112.76 2jtm s GLY 39 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 44.72 43.66 2jtm s GLY 39 CO 0.00 -0.89 0.30 -2.27 0.00 0.00 0.00 173.10 170.25 2jtm s LEU 40 N -1.24 4.20 0.40 0.66 2.96 0.30 -0.82 118.68 125.14 2jtm s LEU 40 Ca 0.03 0.46 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 2jtm s LEU 40 Cb -0.08 -2.38 -0.08 0.00 0.50 0.00 0.00 46.19 44.15 2jtm s LEU 40 CO 0.02 0.05 0.01 -0.36 -1.32 0.00 0.00 176.35 174.74 2jtm s PHE 41 N 0.77 2.51 -0.19 5.38 0.08 0.17 0.48 117.98 127.18 2jtm s PHE 41 Ca 0.16 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2jtm s PHE 41 Cb -0.13 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 2jtm s PHE 41 CO 0.05 0.45 -0.14 0.21 -0.10 0.00 0.00 175.22 175.69 2jtm s LYS 42 N -3.71 2.43 -0.04 0.44 2.20 -1.26 -0.58 119.74 119.23 2jtm s LYS 42 Ca 0.35 -0.86 -0.35 0.00 -0.36 0.00 0.00 55.97 54.76 2jtm s LYS 42 Cb 0.09 -2.47 -0.13 0.00 -1.51 0.00 0.00 37.83 33.81 2jtm s LYS 42 CO 0.18 -0.34 1.76 -3.47 -0.36 0.00 0.00 175.35 173.12 2jtm n ASP 43 N 4.64 3.13 0.24 1.43 -0.08 0.19 -4.88 116.55 121.22 2jtm n ASP 43 Ca -0.17 1.02 0.10 0.00 -1.51 0.00 0.00 54.79 54.23 2jtm n ASP 43 Cb 0.48 -1.35 0.61 0.00 2.34 0.00 0.00 41.12 43.20 2jtm n ASP 43 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2jtm h PRO 44 N 7.87 0.00 0.00 -0.67 0.13 -1.96 -0.60 132.00 136.77 2jtm h PRO 44 Ca -0.47 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 2jtm h PRO 44 Cb 1.28 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 2jtm h PRO 44 CO 0.92 0.18 -2.44 -0.85 -0.23 0.00 0.00 178.00 175.58 2jtm n GLU 45 N -3.77 0.60 0.02 0.86 0.28 -1.26 -4.61 120.64 112.76 2jtm n GLU 45 Ca -0.02 0.27 0.11 0.00 -0.16 0.00 0.00 57.16 57.36 2jtm n GLU 45 Cb 0.28 -1.52 0.02 0.00 1.43 0.00 0.00 31.44 31.66 2jtm n GLU 45 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2jtm n THR 46 N -4.09 0.10 -1.10 3.84 -2.24 -1.25 -4.96 114.28 104.59 2jtm n THR 46 Ca -0.51 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.07 2jtm n THR 46 Cb 0.89 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.41 0.65 3.87 3.38 0.00 -0.23 -5.02 105.19 109.25 2jtm n GLY 47 Ca 0.03 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.07 3.81 -0.11 1.61 -2.85 -1.25 -4.68 119.74 114.19 2jtm s LYS 48 Ca 0.00 0.25 -0.22 0.00 -1.00 0.00 0.00 55.97 55.00 2jtm s LYS 48 Cb 0.00 -2.80 -0.03 0.00 -2.06 0.00 0.00 37.83 32.94 2jtm s LYS 48 CO 0.00 0.42 0.66 0.71 0.10 0.00 0.00 175.35 177.23 2jtm s TYR 49 N -1.64 3.52 -0.00 1.78 1.51 -1.26 0.52 117.35 121.78 2jtm s TYR 49 Ca 0.42 1.13 0.01 0.00 -1.01 0.00 0.00 57.07 57.62 2jtm s TYR 49 Cb -0.13 -2.77 -0.00 0.00 -0.11 0.00 0.00 41.96 38.95 2jtm s TYR 49 CO 0.21 0.03 -0.05 -0.59 -1.11 0.00 0.00 175.55 174.04 2jtm s PHE 50 N 1.06 0.42 -0.16 2.71 -0.71 0.25 -4.95 117.98 116.60 2jtm s PHE 50 Ca 0.34 -0.10 -0.11 0.00 -1.04 0.00 0.00 56.93 56.02 2jtm s PHE 50 Cb -0.17 -0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.32 2jtm s PHE 50 CO 0.15 -0.01 0.22 -0.98 -1.34 0.00 0.00 175.22 173.26 2jtm s ARG 51 N -0.17 4.08 0.00 1.99 1.70 -1.26 0.41 118.95 125.70 2jtm s ARG 51 Ca 0.01 -0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.25 2jtm s ARG 51 Cb -0.02 -3.37 -0.00 0.00 -0.57 0.00 0.00 34.95 30.98 2jtm s ARG 51 CO -0.00 0.38 -0.02 -1.58 -1.08 0.00 0.00 175.30 172.99 2jtm s HIS 52 N 0.08 0.20 0.51 5.89 2.46 -0.00 -4.97 115.29 119.46 2jtm s HIS 52 Ca 0.14 -0.09 -0.20 0.00 0.47 0.00 0.00 55.06 55.38 2jtm s HIS 52 Cb -0.12 -0.13 -0.07 0.00 -0.13 0.00 0.00 32.58 32.13 2jtm s HIS 52 CO 0.03 -0.02 1.12 -1.59 -2.47 0.00 0.00 174.74 171.80 2jtm s LYS 53 N -0.21 3.54 0.62 2.88 -2.85 -1.26 -0.81 119.74 121.65 2jtm s LYS 53 Ca -0.01 1.59 0.03 0.00 -1.00 0.00 0.00 55.97 56.58 2jtm s LYS 53 Cb -0.02 -2.11 0.09 0.00 -2.06 0.00 0.00 37.83 33.73 2jtm s LYS 53 CO -0.00 -0.69 0.86 -0.51 0.10 0.00 0.00 175.35 175.10 2jtm s LEU 54 N -3.57 3.13 0.37 2.77 1.43 0.13 -4.79 118.68 118.16 2jtm s LEU 54 Ca 0.70 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 2jtm s LEU 54 Cb -0.23 -2.19 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 2jtm s LEU 54 CO 0.27 -1.48 1.28 -2.84 0.23 0.00 0.00 176.35 173.81 2jtm s PRO 55 N -4.88 4.15 0.53 1.29 0.02 -1.26 -4.68 135.00 130.17 2jtm s PRO 55 Ca 0.62 2.14 0.30 0.00 0.02 0.00 0.00 61.00 64.08 2jtm s PRO 55 Cb -0.07 -2.89 1.43 0.00 0.02 0.00 0.00 34.50 32.99 2jtm s PRO 55 CO 0.41 -0.33 2.03 -0.44 -0.33 0.00 0.00 177.00 178.34 2jtm h ASP 56 N 2.99 0.00 0.30 2.53 3.32 -1.90 -1.53 116.42 122.13 2jtm h ASP 56 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 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 0.64 0.10 -0.22 -0.67 -1.72 0.00 0.00 179.24 177.37 2jtm n ASP 57 N -3.41 0.81 -4.75 6.45 2.03 -1.26 -4.90 116.55 111.53 2jtm n ASP 57 Ca -0.01 -0.74 -0.41 0.00 0.52 0.00 0.00 54.79 54.15 2jtm n ASP 57 Cb 0.27 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.71 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 -2.53 3.41 -0.34 -0.67 5.04 -0.58 -4.99 117.35 116.71 2jtm s TYR 58 Ca 0.25 1.48 -0.22 0.00 -2.44 0.00 0.00 57.07 56.14 2jtm s TYR 58 Cb 0.19 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 39.07 2jtm s TYR 58 CO 0.51 -1.16 0.71 -1.25 -1.34 0.00 0.00 175.55 173.02 2jtm s PRO 59 N -0.69 3.80 0.00 4.97 0.04 -1.26 -4.97 135.00 136.89 2jtm s PRO 59 Ca 0.51 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2jtm s PRO 59 Cb -0.33 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2jtm s PRO 59 CO 0.40 -0.72 0.18 0.44 0.04 0.00 0.00 177.00 177.34