#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 -4.22 0.13 6.12 7.64 -1.26 -4.94 113.62 117.10 2jtm n SER 2 Ca 0.00 0.48 0.03 0.00 1.01 0.00 0.00 58.87 60.39 2jtm n SER 2 Cb 0.00 -2.27 0.02 0.00 -1.01 0.00 0.00 64.21 60.95 2jtm n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jtm h SER 3 N 1.33 0.00 0.00 6.43 0.02 -2.09 -3.47 113.55 115.77 2jtm h SER 3 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jtm h SER 3 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jtm h SER 3 CO 0.00 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.75 2jtm n GLY 4 N 1.23 2.28 2.99 -3.77 0.00 -1.26 -5.02 105.19 101.65 2jtm n GLY 4 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.23 0.28 -0.38 1.61 1.02 -1.26 -5.12 119.74 115.66 2jtm s LYS 5 Ca 0.00 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.65 2jtm s LYS 5 Cb 0.00 0.11 0.16 0.00 -0.52 0.00 0.00 37.83 37.58 2jtm s LYS 5 CO 0.00 -0.05 0.41 0.21 -0.92 0.00 0.00 175.35 174.99 2jtm s LYS 6 N -1.03 0.67 0.77 1.68 2.20 -1.26 -5.12 119.74 117.65 2jtm s LYS 6 Ca -0.11 -0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 2jtm s LYS 6 Cb -0.07 -0.63 0.05 0.00 -1.51 0.00 0.00 37.83 35.67 2jtm s LYS 6 CO -0.00 -1.20 1.10 -1.25 -0.36 0.00 0.00 175.35 173.64 2jtm s PRO 7 N 1.46 2.29 0.03 4.03 0.04 -1.26 -4.49 135.00 137.09 2jtm s PRO 7 Ca 0.17 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2jtm s PRO 7 Cb -0.14 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2jtm s PRO 7 CO -0.03 -1.47 -0.04 0.54 0.04 0.00 0.00 177.00 176.04 2jtm s VAL 8 N -3.20 0.20 -0.35 -0.36 0.11 -0.19 -4.86 120.40 111.76 2jtm s VAL 8 Ca 0.60 -1.06 -0.28 0.00 -2.93 0.00 0.00 61.98 58.31 2jtm s VAL 8 Cb -0.14 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 2jtm s VAL 8 CO 0.54 -0.54 1.82 -0.54 -3.33 0.00 0.00 175.10 173.04 2jtm s LYS 9 N -1.80 3.28 0.05 1.54 -0.14 -1.26 -1.14 119.74 120.26 2jtm s LYS 9 Ca -0.12 1.39 0.05 0.00 -1.36 0.00 0.00 55.97 55.93 2jtm s LYS 9 Cb -0.08 -4.22 -0.02 0.00 -1.68 0.00 0.00 37.83 31.83 2jtm s LYS 9 CO -0.02 -1.93 -0.14 0.54 -0.76 0.00 0.00 175.35 173.04 2jtm s VAL 10 N 7.11 1.10 -0.02 3.17 0.11 0.16 -4.96 120.40 127.07 2jtm s VAL 10 Ca 0.80 -1.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.52 2jtm s VAL 10 Cb -0.22 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 2jtm s VAL 10 CO 0.33 -0.05 0.83 -0.54 -3.33 0.00 0.00 175.10 172.34 2jtm s LYS 11 N -1.27 4.50 0.46 1.54 1.02 -1.26 -1.28 119.74 123.45 2jtm s LYS 11 Ca 0.01 1.14 -0.03 0.00 0.02 0.00 0.00 55.97 57.11 2jtm s LYS 11 Cb -0.08 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 2jtm s LYS 11 CO 0.01 0.05 0.73 0.95 -0.92 0.00 0.00 175.35 176.17 2jtm s THR 12 N 0.75 4.61 -1.05 2.17 -4.23 0.40 -4.95 115.64 113.34 2jtm s THR 12 Ca 0.44 -0.11 0.17 0.00 -1.18 0.00 0.00 61.69 61.01 2jtm s THR 12 Cb -0.20 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.07 2jtm s THR 12 CO 0.23 -0.63 1.55 -2.65 -0.54 0.00 0.00 174.62 172.57 2jtm n PRO 13 N -2.16 0.03 0.00 3.99 -0.02 -1.26 -2.09 135.00 133.49 2jtm n PRO 13 Ca -0.00 0.20 0.14 0.00 -2.02 0.00 0.00 63.50 61.82 2jtm n PRO 13 Cb 0.56 -1.50 0.64 0.00 -0.02 0.00 0.00 33.50 33.19 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 -1.47 2.67 0.00 3.55 0.00 -1.26 -4.93 120.51 119.06 2jtm n ALA 14 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2jtm n ALA 14 Cb 0.19 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.32 1.33 3.78 0.00 0.00 -0.89 -5.05 105.19 105.68 2jtm n GLY 15 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.91 2.21 0.14 1.61 0.00 -1.26 -4.86 119.74 116.66 2jtm s LYS 16 Ca 0.00 -2.03 0.04 0.00 0.00 0.00 0.00 55.97 53.98 2jtm s LYS 16 Cb 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 37.83 35.91 2jtm s LYS 16 CO 0.00 -0.29 0.15 -1.21 0.00 0.00 0.00 175.35 173.99 2jtm s GLU 17 N -3.98 2.98 0.00 1.78 2.02 -1.26 -0.45 118.70 119.79 2jtm s GLU 17 Ca 0.31 -0.78 -0.24 0.00 0.02 0.00 0.00 54.97 54.28 2jtm s GLU 17 Cb 0.02 -2.72 0.05 0.00 0.10 0.00 0.00 34.13 31.59 2jtm s GLU 17 CO 0.17 0.51 0.53 0.00 0.02 0.00 0.00 175.26 176.49 2jtm s ALA 18 N -1.67 -1.36 -0.56 5.21 0.00 -0.41 -4.93 121.76 118.04 2jtm s ALA 18 Ca 0.31 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 2jtm s ALA 18 Cb -0.11 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.26 2jtm s ALA 18 CO 0.24 -0.41 0.84 -1.21 0.00 0.00 0.00 175.76 175.22 2jtm s GLU 19 N -1.80 3.21 0.07 0.00 2.02 -1.26 -0.66 118.70 120.29 2jtm s GLU 19 Ca -0.09 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.36 2jtm s GLU 19 Cb -0.01 -4.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2jtm s GLU 19 CO 0.03 -1.46 -0.10 -0.51 0.02 0.00 0.00 175.26 173.24 2jtm s LEU 20 N 3.50 3.01 -0.22 1.80 1.43 -0.29 -4.69 118.68 123.21 2jtm s LEU 20 Ca 0.23 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 2jtm s LEU 20 Cb -0.16 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2jtm s LEU 20 CO 0.15 0.21 0.49 0.54 0.23 0.00 0.00 176.35 177.97 2jtm s VAL 21 N -1.13 5.11 0.19 -1.59 0.11 -1.26 -1.02 120.40 120.81 2jtm s VAL 21 Ca 0.19 0.89 -0.31 0.00 -2.93 0.00 0.00 61.98 59.83 2jtm s VAL 21 Cb -0.11 -3.82 -0.09 0.00 -1.53 0.00 0.00 36.38 30.83 2jtm s VAL 21 CO 0.11 0.16 1.40 -2.16 -3.33 0.00 0.00 175.10 171.29 2jtm s PRO 22 N 1.77 4.31 -0.05 1.54 0.04 -1.26 -4.69 135.00 136.67 2jtm s PRO 22 Ca 0.22 2.17 -0.25 0.00 0.04 0.00 0.00 61.00 63.19 2jtm s PRO 22 Cb -0.15 -3.18 -0.24 0.00 0.04 0.00 0.00 34.50 30.97 2jtm s PRO 22 CO 0.09 -0.40 1.02 1.49 0.04 0.00 0.00 177.00 179.25 2jtm h GLU 23 N 5.85 0.16 -4.16 4.56 4.22 -0.72 -3.46 114.58 121.03 2jtm h GLU 23 Ca -0.44 -0.18 -0.28 0.00 0.08 0.00 0.00 59.36 58.54 2jtm h GLU 23 Cb 1.21 0.05 -0.27 0.00 0.50 0.00 0.00 28.75 30.24 2jtm h GLU 23 CO 0.82 0.92 -0.74 0.21 -2.18 0.00 0.00 179.01 178.04 2jtm s LYS 24 N -3.10 0.31 0.03 1.92 2.20 -1.23 -4.99 119.74 114.89 2jtm s LYS 24 Ca -0.16 -0.24 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 2jtm s LYS 24 Cb 0.01 -0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.06 2jtm s LYS 24 CO 0.74 0.06 -0.15 0.14 -0.36 0.00 0.00 175.35 175.78 2jtm s VAL 25 N -0.35 1.20 0.17 4.02 -7.23 -1.26 -0.36 120.40 116.58 2jtm s VAL 25 Ca -0.01 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.08 2jtm s VAL 25 Cb -0.03 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.86 2jtm s VAL 25 CO -0.00 0.10 0.40 -1.66 -0.31 0.00 0.00 175.10 173.63 2jtm s TRP 26 N -0.73 0.10 -0.00 2.82 -2.14 0.27 -5.00 118.94 114.26 2jtm s TRP 26 Ca 0.03 -0.45 0.01 0.00 2.66 0.00 0.00 56.10 58.35 2jtm s TRP 26 Cb -0.07 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 2jtm s TRP 26 CO 0.01 -0.80 -0.02 0.00 -2.66 0.00 0.00 176.95 173.48 2jtm s ALA 27 N -3.90 0.23 -0.46 2.67 0.00 -1.26 0.17 121.76 119.20 2jtm s ALA 27 Ca 0.12 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 2jtm s ALA 27 Cb 0.01 -0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.16 2jtm s ALA 27 CO -0.03 0.04 0.35 -0.51 0.00 0.00 0.00 175.76 175.61 2jtm s LEU 28 N 0.02 5.56 -0.31 0.00 1.02 0.12 -4.91 118.68 120.17 2jtm s LEU 28 Ca 0.00 -1.63 0.02 0.00 0.02 0.00 0.00 54.13 52.54 2jtm s LEU 28 Cb -0.02 -2.07 0.08 0.00 0.02 0.00 0.00 46.19 44.20 2jtm s LEU 28 CO -0.00 -0.65 -0.01 0.00 0.02 0.00 0.00 176.35 175.70 2jtm s ALA 29 N 1.48 2.77 -2.00 4.21 0.00 -1.26 -1.30 121.76 125.66 2jtm s ALA 29 Ca 0.04 -2.11 0.18 0.00 0.00 0.00 0.00 51.96 50.07 2jtm s ALA 29 Cb -0.25 -1.85 1.06 0.00 0.00 0.00 0.00 23.12 22.08 2jtm s ALA 29 CO 0.02 -1.44 1.61 -2.30 0.00 0.00 0.00 175.76 173.66 2jtm n PRO 30 N 4.41 0.90 -1.65 0.00 -0.02 -1.26 -4.96 135.00 132.41 2jtm n PRO 30 Ca -0.06 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.41 2jtm n PRO 30 Cb 0.42 -1.31 -0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2jtm n PRO 30 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2jtm n LYS 31 N -0.81 -2.15 0.00 -0.52 5.02 -1.26 -4.82 118.16 113.62 2jtm n LYS 31 Ca 0.13 1.86 0.00 0.00 -2.02 0.00 0.00 58.31 58.28 2jtm n LYS 31 Cb 0.06 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 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 0.76 1.02 0.00 0.72 0.00 -1.26 -5.06 105.19 101.37 2jtm n GLY 32 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jtm n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtm n ARG 33 N -1.94 0.32 -2.43 1.61 1.74 -1.26 -5.15 116.66 109.54 2jtm n ARG 33 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 2jtm n ARG 33 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2jtm n ARG 33 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2jtm s LYS 34 N -1.01 3.95 -0.51 5.56 1.02 -1.26 -4.92 119.74 122.57 2jtm s LYS 34 Ca 0.00 0.93 -0.17 0.00 0.02 0.00 0.00 55.97 56.75 2jtm s LYS 34 Cb 0.00 -2.15 0.08 0.00 -0.52 0.00 0.00 37.83 35.24 2jtm s LYS 34 CO 0.00 -0.25 0.52 0.20 -0.92 0.00 0.00 175.35 174.90 2jtm s GLY 35 N -3.06 1.94 -0.75 -3.33 0.00 -1.26 -4.54 107.32 96.32 2jtm s GLY 35 Ca 0.59 -2.08 -0.25 0.00 0.00 0.00 0.00 44.72 42.98 2jtm s GLY 35 CO 0.31 1.27 1.20 0.14 0.00 0.00 0.00 173.10 176.02 2jtm s VAL 36 N 2.07 3.94 -0.05 1.40 1.01 -0.42 -4.85 120.40 123.50 2jtm s VAL 36 Ca 0.08 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 2jtm s VAL 36 Cb -0.24 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 2jtm s VAL 36 CO 0.08 -1.74 0.76 -0.54 0.00 0.00 0.00 175.10 173.65 2jtm s LYS 37 N 5.09 4.46 -0.00 2.72 1.02 -1.26 0.11 119.74 131.88 2jtm s LYS 37 Ca 0.32 1.00 0.03 0.00 0.02 0.00 0.00 55.97 57.34 2jtm s LYS 37 Cb -0.10 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2jtm s LYS 37 CO 0.10 0.04 -0.10 0.42 -0.92 0.00 0.00 175.35 174.90 2jtm s ILE 38 N 0.84 0.79 0.07 2.17 1.01 0.13 0.30 121.20 126.50 2jtm s ILE 38 Ca 0.41 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.64 2jtm s ILE 38 Cb -0.18 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 2jtm s ILE 38 CO 0.20 0.19 -0.15 -0.83 0.00 0.00 0.00 174.94 174.36 2jtm s GLY 39 N -0.31 0.88 -0.20 6.18 0.00 0.33 -0.56 107.32 113.64 2jtm s GLY 39 Ca 0.03 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.63 2jtm s GLY 39 CO -0.00 -0.99 0.32 -2.27 0.00 0.00 0.00 173.10 170.15 2jtm s LEU 40 N -1.61 4.16 0.40 0.66 2.96 0.51 -0.45 118.68 125.31 2jtm s LEU 40 Ca -0.01 0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.38 2jtm s LEU 40 Cb -0.10 -2.38 -0.07 0.00 0.50 0.00 0.00 46.19 44.14 2jtm s LEU 40 CO 0.02 -0.00 0.02 -0.36 -1.32 0.00 0.00 176.35 174.70 2jtm s PHE 41 N 1.07 2.41 -0.17 5.38 0.08 0.13 0.09 117.98 126.97 2jtm s PHE 41 Ca 0.16 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.49 2jtm s PHE 41 Cb -0.14 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2jtm s PHE 41 CO 0.06 0.37 -0.17 0.21 -0.10 0.00 0.00 175.22 175.60 2jtm s LYS 42 N -3.74 2.61 0.26 0.44 2.20 -1.26 -0.09 119.74 120.16 2jtm s LYS 42 Ca 0.34 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 2jtm s LYS 42 Cb 0.09 -2.36 -0.10 0.00 -1.51 0.00 0.00 37.83 33.95 2jtm s LYS 42 CO 0.17 -0.24 1.45 0.34 -0.36 0.00 0.00 175.35 176.71 2jtm s ASP 43 N 1.38 6.63 0.46 1.43 2.15 0.67 -4.93 116.67 124.45 2jtm s ASP 43 Ca 0.04 2.70 0.26 0.00 0.43 0.00 0.00 52.55 55.99 2jtm s ASP 43 Cb -0.13 -2.63 0.79 0.00 -0.30 0.00 0.00 42.92 40.65 2jtm s ASP 43 CO -0.12 -0.72 1.77 1.55 -0.17 0.00 0.00 175.17 177.49 2jtm h PRO 44 N 4.90 0.00 0.00 4.34 0.13 -1.93 -1.65 132.00 137.78 2jtm h PRO 44 Ca -0.46 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 2jtm h PRO 44 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2jtm h PRO 44 CO 0.77 0.09 -2.18 -1.91 -0.23 0.00 0.00 178.00 174.54 2jtm n GLU 45 N -3.17 0.58 0.01 0.86 2.13 -1.26 -4.57 120.64 115.22 2jtm n GLU 45 Ca 0.02 0.31 -0.07 0.00 0.66 0.00 0.00 57.16 58.08 2jtm n GLU 45 Cb 0.45 -1.53 -0.12 0.00 0.27 0.00 0.00 31.44 30.51 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 -1.00 1.08 0.00 6.31 1.35 -1.99 -3.48 112.91 115.18 2jtm h THR 46 Ca -0.58 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 62.45 2jtm h THR 46 Cb 1.49 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.43 2jtm h THR 46 CO -0.35 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 2jtm n GLY 47 N 1.46 1.08 3.77 5.82 0.00 -0.62 -5.02 105.19 111.69 2jtm n GLY 47 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.39 4.37 -0.13 1.61 -2.85 -1.26 -4.46 119.74 116.62 2jtm s LYS 48 Ca 0.00 1.55 -0.26 0.00 -1.00 0.00 0.00 55.97 56.25 2jtm s LYS 48 Cb 0.00 -2.76 -0.02 0.00 -2.06 0.00 0.00 37.83 32.99 2jtm s LYS 48 CO 0.00 0.04 0.87 0.71 0.10 0.00 0.00 175.35 177.06 2jtm s TYR 49 N -1.52 3.47 -0.02 1.78 2.02 -1.26 -0.24 117.35 121.59 2jtm s TYR 49 Ca 0.53 1.36 0.05 0.00 -0.37 0.00 0.00 57.07 58.64 2jtm s TYR 49 Cb -0.24 -3.04 -0.01 0.00 -0.40 0.00 0.00 41.96 38.27 2jtm s TYR 49 CO 0.30 -0.19 -0.18 -0.59 -1.57 0.00 0.00 175.55 173.33 2jtm s PHE 50 N 1.91 1.59 -0.23 2.71 -0.71 0.87 -4.91 117.98 119.21 2jtm s PHE 50 Ca 0.41 -0.31 -0.14 0.00 -1.04 0.00 0.00 56.93 55.86 2jtm s PHE 50 Cb -0.17 -1.03 -0.04 0.00 -1.21 0.00 0.00 43.02 40.57 2jtm s PHE 50 CO 0.15 -0.03 0.30 -0.98 -1.34 0.00 0.00 175.22 173.31 2jtm s ARG 51 N -0.39 4.09 0.04 1.99 1.70 -1.26 0.18 118.95 125.30 2jtm s ARG 51 Ca 0.06 -0.02 0.03 0.00 -0.47 0.00 0.00 55.73 55.32 2jtm s ARG 51 Cb -0.07 -3.57 -0.02 0.00 -0.57 0.00 0.00 34.95 30.72 2jtm s ARG 51 CO -0.01 -0.06 -0.09 -1.58 -1.08 0.00 0.00 175.30 172.49 2jtm s HIS 52 N 1.40 0.75 0.43 5.89 2.46 0.40 -4.93 115.29 121.69 2jtm s HIS 52 Ca 0.14 -0.41 -0.26 0.00 0.47 0.00 0.00 55.06 55.00 2jtm s HIS 52 Cb -0.15 -0.45 -0.09 0.00 -0.13 0.00 0.00 32.58 31.77 2jtm s HIS 52 CO 0.07 -0.04 1.40 0.21 -2.47 0.00 0.00 174.74 173.91 2jtm s LYS 53 N -1.30 3.80 0.47 2.88 2.20 -1.26 -0.51 119.74 126.02 2jtm s LYS 53 Ca -0.06 2.36 0.07 0.00 -0.36 0.00 0.00 55.97 57.98 2jtm s LYS 53 Cb -0.08 -2.71 0.03 0.00 -1.51 0.00 0.00 37.83 33.55 2jtm s LYS 53 CO 0.01 -0.70 0.64 -0.51 -0.36 0.00 0.00 175.35 174.43 2jtm s LEU 54 N -2.58 3.52 0.45 5.43 1.43 0.15 -4.80 118.68 122.27 2jtm s LEU 54 Ca 0.59 -0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.05 2jtm s LEU 54 Cb -0.42 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.16 2jtm s LEU 54 CO 0.55 -0.91 1.25 -2.84 0.23 0.00 0.00 176.35 174.62 2jtm s PRO 55 N -4.47 3.74 0.41 1.29 0.02 -1.26 -4.65 135.00 130.08 2jtm s PRO 55 Ca 0.56 2.00 0.08 0.00 0.02 0.00 0.00 61.00 63.66 2jtm s PRO 55 Cb -0.09 -2.53 0.88 0.00 0.02 0.00 0.00 34.50 32.77 2jtm s PRO 55 CO 0.35 -0.63 2.05 -0.44 -0.33 0.00 0.00 177.00 178.00 2jtm h ASP 56 N 2.22 0.42 -0.24 2.53 5.19 -1.94 -1.40 116.42 123.20 2jtm h ASP 56 Ca -0.50 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2jtm h ASP 56 Cb 1.26 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2jtm h ASP 56 CO 0.61 0.33 0.00 -0.90 -3.12 0.00 0.00 179.24 176.15 2jtm n ASP 57 N -4.46 2.14 -4.68 6.45 5.75 -1.26 -4.88 116.55 115.62 2jtm n ASP 57 Ca 0.02 -1.81 -0.43 0.00 -0.01 0.00 0.00 54.79 52.57 2jtm n ASP 57 Cb 0.08 -0.16 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2jtm s TYR 58 N -1.69 3.25 -0.14 2.11 5.04 -0.53 -4.97 117.35 120.42 2jtm s TYR 58 Ca 0.33 1.33 -0.29 0.00 -2.44 0.00 0.00 57.07 56.00 2jtm s TYR 58 Cb 0.18 -3.34 -0.02 0.00 0.35 0.00 0.00 41.96 39.13 2jtm s TYR 58 CO 0.27 -0.94 1.34 -1.25 -1.34 0.00 0.00 175.55 173.63 2jtm s PRO 59 N 2.54 4.23 0.00 4.97 0.04 -1.26 -4.94 135.00 140.57 2jtm s PRO 59 Ca 0.52 1.76 0.07 0.00 0.04 0.00 0.00 61.00 63.40 2jtm s PRO 59 Cb -0.21 -3.80 0.06 0.00 0.04 0.00 0.00 34.50 30.59 2jtm s PRO 59 CO 0.17 -0.73 0.74 0.44 0.04 0.00 0.00 177.00 177.66