#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtm s SER 2 N 0.00 6.41 -0.98 3.17 0.01 -1.21 -4.86 113.70 116.24 2jtm s SER 2 Ca 0.00 -1.76 -0.14 0.00 1.31 0.00 0.00 55.95 55.36 2jtm s SER 2 Cb 0.00 -2.33 0.20 0.00 0.21 0.00 0.00 66.02 64.09 2jtm s SER 2 CO 0.00 -1.06 1.05 -0.44 0.41 0.00 0.00 173.24 173.20 2jtm s SER 3 N 3.41 6.90 0.00 2.44 0.01 -1.26 -4.94 113.70 120.26 2jtm s SER 3 Ca 0.20 -2.76 0.00 0.00 1.31 0.00 0.00 55.95 54.71 2jtm s SER 3 Cb -0.15 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2jtm s SER 3 CO -0.00 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2jtm n GLY 4 N 4.15 0.35 3.80 3.44 0.00 -1.26 -4.84 105.19 110.83 2jtm n GLY 4 Ca 0.23 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 4.21 -0.33 1.61 1.02 -1.26 -5.03 119.74 119.97 2jtm s LYS 5 Ca 0.00 0.70 -0.01 0.00 0.02 0.00 0.00 55.97 56.67 2jtm s LYS 5 Cb 0.00 -3.27 0.12 0.00 -0.52 0.00 0.00 37.83 34.16 2jtm s LYS 5 CO 0.00 0.56 0.18 0.15 -0.92 0.00 0.00 175.35 175.31 2jtm s LYS 6 N -0.81 0.44 -0.24 1.68 1.02 -1.26 -5.12 119.74 115.45 2jtm s LYS 6 Ca 0.29 -1.03 -0.25 0.00 0.02 0.00 0.00 55.97 55.00 2jtm s LYS 6 Cb -0.19 -1.30 -0.00 0.00 -0.52 0.00 0.00 37.83 35.82 2jtm s LYS 6 CO 0.18 -1.13 0.85 -1.25 -0.92 0.00 0.00 175.35 173.08 2jtm s PRO 7 N 1.47 4.19 -0.01 -1.68 0.04 -1.26 -4.11 135.00 133.64 2jtm s PRO 7 Ca 0.14 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.15 2jtm s PRO 7 Cb -0.20 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 2jtm s PRO 7 CO -0.15 -0.53 0.09 0.54 0.04 0.00 0.00 177.00 177.00 2jtm s VAL 8 N 2.87 4.80 -0.45 -0.36 0.11 -0.03 -4.71 120.40 122.62 2jtm s VAL 8 Ca 0.36 -0.38 -0.28 0.00 -2.93 0.00 0.00 61.98 58.74 2jtm s VAL 8 Cb -0.15 -3.20 0.01 0.00 -1.53 0.00 0.00 36.38 31.51 2jtm s VAL 8 CO 0.07 0.35 1.44 -0.75 -3.33 0.00 0.00 175.10 172.88 2jtm s LYS 9 N -1.75 3.46 0.07 1.54 2.20 -1.26 -1.11 119.74 122.89 2jtm s LYS 9 Ca 0.23 0.82 0.05 0.00 -0.36 0.00 0.00 55.97 56.71 2jtm s LYS 9 Cb -0.12 -4.07 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 2jtm s LYS 9 CO 0.14 -1.71 -0.14 0.54 -0.36 0.00 0.00 175.35 173.82 2jtm s VAL 10 N 5.76 1.13 -0.12 4.02 0.11 0.30 -4.90 120.40 126.70 2jtm s VAL 10 Ca 0.60 -1.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.08 2jtm s VAL 10 Cb -0.13 -1.08 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 2jtm s VAL 10 CO 0.30 -0.20 1.05 -0.54 -3.33 0.00 0.00 175.10 172.39 2jtm s LYS 11 N -1.68 4.38 0.86 1.54 1.02 -1.26 -0.55 119.74 124.06 2jtm s LYS 11 Ca -0.01 1.45 -0.12 0.00 0.02 0.00 0.00 55.97 57.30 2jtm s LYS 11 Cb -0.10 -3.57 0.11 0.00 -0.52 0.00 0.00 37.83 33.76 2jtm s LYS 11 CO 0.02 -0.40 1.14 0.95 -0.92 0.00 0.00 175.35 176.14 2jtm s THR 12 N 2.28 2.18 0.26 2.17 -4.23 0.16 -4.92 115.64 113.55 2jtm s THR 12 Ca 0.49 0.06 0.25 0.00 -1.18 0.00 0.00 61.69 61.32 2jtm s THR 12 Cb -0.19 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.03 2jtm s THR 12 CO 0.17 -0.08 1.93 -0.65 -0.54 0.00 0.00 174.62 175.45 2jtm h PRO 13 N -1.31 0.00 -0.46 3.99 0.11 -1.96 -2.52 132.00 129.85 2jtm h PRO 13 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2jtm h PRO 13 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2jtm h PRO 13 CO 0.63 0.19 -0.10 0.00 -0.21 0.00 0.00 178.00 178.50 2jtm h ALA 14 N 1.81 0.63 0.00 -0.75 0.00 -2.02 -3.47 119.26 115.46 2jtm h ALA 14 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jtm h ALA 14 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jtm h ALA 14 CO 0.02 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2jtm n GLY 15 N -0.22 1.81 3.12 0.00 0.00 -0.95 -5.15 105.19 103.79 2jtm n GLY 15 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.66 -0.10 1.61 0.00 -1.26 -4.90 119.74 115.74 2jtm s LYS 16 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 55.97 54.56 2jtm s LYS 16 Cb 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 37.83 38.04 2jtm s LYS 16 CO 0.00 -0.14 0.75 -1.21 0.00 0.00 0.00 175.35 174.75 2jtm s GLU 17 N -3.91 4.38 0.04 1.78 8.01 -1.26 -0.66 118.70 127.08 2jtm s GLU 17 Ca 0.07 0.94 0.04 0.00 0.01 0.00 0.00 54.97 56.02 2jtm s GLU 17 Cb 0.07 -3.50 -0.02 0.00 -4.31 0.00 0.00 34.13 26.37 2jtm s GLU 17 CO -0.10 -0.09 -0.12 0.00 0.01 0.00 0.00 175.26 174.96 2jtm s ALA 18 N 1.32 0.95 -0.54 5.21 0.00 0.29 -4.89 121.76 124.11 2jtm s ALA 18 Ca 0.38 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 51.34 2jtm s ALA 18 Cb -0.17 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.89 2jtm s ALA 18 CO 0.16 0.14 0.81 -1.21 0.00 0.00 0.00 175.76 175.66 2jtm s GLU 19 N -1.25 3.23 0.00 0.00 2.02 -1.25 -0.54 118.70 120.90 2jtm s GLU 19 Ca -0.02 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 54.48 2jtm s GLU 19 Cb -0.08 -4.08 -0.02 0.00 0.10 0.00 0.00 34.13 30.04 2jtm s GLU 19 CO 0.01 -1.39 -0.24 -0.51 0.02 0.00 0.00 175.26 173.15 2jtm s LEU 20 N 3.38 2.21 -0.23 1.80 1.43 -0.27 -4.77 118.68 122.24 2jtm s LEU 20 Ca 0.23 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.66 2jtm s LEU 20 Cb -0.16 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2jtm s LEU 20 CO 0.15 0.30 0.61 0.54 0.23 0.00 0.00 176.35 178.18 2jtm s VAL 21 N -0.71 5.02 0.23 -1.59 0.11 -1.26 -0.85 120.40 121.35 2jtm s VAL 21 Ca 0.11 1.11 -0.30 0.00 -2.93 0.00 0.00 61.98 59.97 2jtm s VAL 21 Cb -0.10 -3.92 -0.10 0.00 -1.53 0.00 0.00 36.38 30.74 2jtm s VAL 21 CO 0.01 0.08 1.41 -2.16 -3.33 0.00 0.00 175.10 171.11 2jtm s PRO 22 N 2.15 4.30 0.09 1.54 0.04 -1.26 -4.77 135.00 137.09 2jtm s PRO 22 Ca 0.26 2.24 -0.22 0.00 0.04 0.00 0.00 61.00 63.33 2jtm s PRO 22 Cb -0.16 -3.13 -0.12 0.00 0.04 0.00 0.00 34.50 31.13 2jtm s PRO 22 CO 0.09 -0.38 1.70 1.49 0.04 0.00 0.00 177.00 179.94 2jtm h GLU 23 N 5.17 0.13 -3.59 4.56 4.57 -0.30 -3.45 114.58 121.68 2jtm h GLU 23 Ca -0.46 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.59 2jtm h GLU 23 Cb 1.22 -0.03 -0.18 0.00 -0.16 0.00 0.00 28.75 29.60 2jtm h GLU 23 CO 0.78 0.15 -0.43 -1.59 -1.18 0.00 0.00 179.01 176.74 2jtm s LYS 24 N -5.93 0.64 0.13 1.92 -2.85 -1.25 -5.00 119.74 107.39 2jtm s LYS 24 Ca -0.13 -0.61 0.08 0.00 -1.00 0.00 0.00 55.97 54.31 2jtm s LYS 24 Cb 0.07 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 2jtm s LYS 24 CO 0.68 -0.18 -0.20 0.14 0.10 0.00 0.00 175.35 175.89 2jtm s VAL 25 N -2.37 1.77 0.24 1.79 -7.23 -1.26 -1.25 120.40 112.09 2jtm s VAL 25 Ca -0.07 -1.69 -0.17 0.00 -1.81 0.00 0.00 61.98 58.24 2jtm s VAL 25 Cb -0.02 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.25 2jtm s VAL 25 CO -0.03 -0.15 0.57 -1.66 -0.31 0.00 0.00 175.10 173.51 2jtm s TRP 26 N -1.50 0.04 -0.00 2.82 -2.14 -0.05 -5.01 118.94 113.11 2jtm s TRP 26 Ca 0.10 -0.43 0.00 0.00 2.66 0.00 0.00 56.10 58.43 2jtm s TRP 26 Cb -0.08 0.41 0.00 0.00 -3.10 0.00 0.00 33.47 30.70 2jtm s TRP 26 CO 0.05 -1.05 -0.01 0.00 -2.66 0.00 0.00 176.95 173.29 2jtm s ALA 27 N -3.94 0.05 -0.52 2.67 0.00 -1.26 -0.28 121.76 118.47 2jtm s ALA 27 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 2jtm s ALA 27 Cb -0.02 -0.02 0.14 0.00 0.00 0.00 0.00 23.12 23.21 2jtm s ALA 27 CO 0.05 0.01 0.32 -0.51 0.00 0.00 0.00 175.76 175.63 2jtm s LEU 28 N 0.01 5.16 -0.52 0.00 1.02 0.11 -4.97 118.68 119.49 2jtm s LEU 28 Ca 0.00 -2.52 0.02 0.00 0.02 0.00 0.00 54.13 51.65 2jtm s LEU 28 Cb -0.00 -1.82 0.13 0.00 0.02 0.00 0.00 46.19 44.52 2jtm s LEU 28 CO -0.00 -0.43 0.28 0.00 0.02 0.00 0.00 176.35 176.22 2jtm s ALA 29 N 0.43 3.32 0.83 4.21 0.00 -1.26 -1.27 121.76 128.01 2jtm s ALA 29 Ca 0.13 -3.15 -0.11 0.00 0.00 0.00 0.00 51.96 48.84 2jtm s ALA 29 Cb -0.22 -2.27 0.12 0.00 0.00 0.00 0.00 23.12 20.75 2jtm s ALA 29 CO -0.04 -1.99 1.17 -1.25 0.00 0.00 0.00 175.76 173.65 2jtm s PRO 30 N -0.03 1.52 0.30 0.00 0.05 -1.26 -4.98 135.00 130.60 2jtm s PRO 30 Ca 0.16 -0.30 -0.29 0.00 0.05 0.00 0.00 61.00 60.61 2jtm s PRO 30 Cb -0.24 -2.01 -0.10 0.00 0.05 0.00 0.00 34.50 32.20 2jtm s PRO 30 CO -0.02 -1.78 1.21 0.15 0.05 0.00 0.00 177.00 176.62 2jtm s LYS 31 N -5.55 4.48 0.00 4.56 1.02 -1.26 -3.32 119.74 119.67 2jtm s LYS 31 Ca 0.66 2.02 0.00 0.00 0.02 0.00 0.00 55.97 58.67 2jtm s LYS 31 Cb -0.08 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2jtm s LYS 31 CO 0.49 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 2jtm n GLY 32 N 1.07 0.71 3.40 -3.33 0.00 -1.26 -5.05 105.19 100.73 2jtm n GLY 32 Ca -0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.68 1.02 0.05 1.61 3.52 -1.21 -5.04 118.95 115.21 2jtm s ARG 33 Ca 0.00 -0.19 -0.20 0.00 -0.13 0.00 0.00 55.73 55.21 2jtm s ARG 33 Cb 0.00 0.47 -0.14 0.00 -1.56 0.00 0.00 34.95 33.72 2jtm s ARG 33 CO 0.00 -0.36 1.35 -0.22 -0.81 0.00 0.00 175.30 175.26 2jtm h LYS 34 N 2.85 0.40 0.00 5.12 1.63 -1.95 -3.45 116.57 121.17 2jtm h LYS 34 Ca -0.30 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 2jtm h LYS 34 Cb 1.20 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2jtm h LYS 34 CO 0.41 0.78 0.00 0.41 -3.45 0.00 0.00 179.45 177.60 2jtm n GLY 35 N 0.21 3.30 3.65 5.01 0.00 -1.26 -4.88 105.19 111.22 2jtm n GLY 35 Ca -0.06 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2jtm n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jtm s VAL 36 N 0.00 4.74 -0.07 1.61 -7.23 -0.39 -4.73 120.40 114.33 2jtm s VAL 36 Ca 0.00 1.82 -0.13 0.00 -1.81 0.00 0.00 61.98 61.86 2jtm s VAL 36 Cb 0.00 -4.23 -0.05 0.00 0.56 0.00 0.00 36.38 32.66 2jtm s VAL 36 CO 0.00 -0.14 0.34 -0.54 -0.31 0.00 0.00 175.10 174.45 2jtm s LYS 37 N 3.05 3.96 -0.01 4.82 1.02 -1.26 0.09 119.74 131.42 2jtm s LYS 37 Ca 0.40 0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.66 2jtm s LYS 37 Cb -0.15 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2jtm s LYS 37 CO 0.07 0.54 -0.09 0.42 -0.92 0.00 0.00 175.35 175.37 2jtm s ILE 38 N -0.51 0.70 0.08 2.17 1.01 0.62 0.78 121.20 126.04 2jtm s ILE 38 Ca 0.21 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.53 2jtm s ILE 38 Cb -0.15 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2jtm s ILE 38 CO 0.09 0.19 -0.16 -0.83 0.00 0.00 0.00 174.94 174.23 2jtm s GLY 39 N -0.23 0.96 -0.21 6.18 0.00 -0.24 -0.87 107.32 112.91 2jtm s GLY 39 Ca 0.03 -1.05 -0.14 0.00 0.00 0.00 0.00 44.72 43.56 2jtm s GLY 39 CO -0.00 -1.07 0.32 -2.27 0.00 0.00 0.00 173.10 170.08 2jtm s LEU 40 N -1.73 4.15 0.44 0.66 2.96 -0.38 -1.10 118.68 123.68 2jtm s LEU 40 Ca 0.01 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2jtm s LEU 40 Cb -0.10 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2jtm s LEU 40 CO 0.03 -0.02 0.03 -0.36 -1.32 0.00 0.00 176.35 174.71 2jtm s PHE 41 N 1.18 2.03 -0.07 5.38 0.08 0.12 0.51 117.98 127.22 2jtm s PHE 41 Ca 0.15 -0.94 -0.00 0.00 0.12 0.00 0.00 56.93 56.26 2jtm s PHE 41 Cb -0.14 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 2jtm s PHE 41 CO 0.07 0.16 -0.04 0.21 -0.10 0.00 0.00 175.22 175.52 2jtm s LYS 42 N -3.81 0.95 -0.08 0.44 2.20 -1.26 -0.14 119.74 118.03 2jtm s LYS 42 Ca 0.21 -0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.46 2jtm s LYS 42 Cb 0.05 -1.11 -0.02 0.00 -1.51 0.00 0.00 37.83 35.24 2jtm s LYS 42 CO 0.11 -0.22 1.06 0.34 -0.36 0.00 0.00 175.35 176.27 2jtm s ASP 43 N 1.57 7.20 0.00 1.43 -1.08 0.12 -4.92 116.67 121.00 2jtm s ASP 43 Ca -0.00 1.62 0.29 0.00 -0.52 0.00 0.00 52.55 53.94 2jtm s ASP 43 Cb -0.13 -2.56 1.34 0.00 -1.46 0.00 0.00 42.92 40.11 2jtm s ASP 43 CO -0.04 -0.47 1.97 -2.65 0.52 0.00 0.00 175.17 174.50 2jtm n PRO 44 N 4.97 0.17 -0.10 4.34 -0.02 -1.26 -0.46 135.00 142.64 2jtm n PRO 44 Ca 0.09 -0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.37 2jtm n PRO 44 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.34 2jtm n PRO 44 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jtm n GLU 45 N -1.41 0.67 -0.01 -0.52 1.02 -1.26 -4.43 120.64 114.69 2jtm n GLU 45 Ca 0.10 0.19 -0.14 0.00 -0.02 0.00 0.00 57.16 57.29 2jtm n GLU 45 Cb 0.30 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 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 -3.39 1.68 -1.31 2.62 -2.24 -1.25 -5.00 114.28 105.40 2jtm n THR 46 Ca -0.43 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 2jtm n THR 46 Cb 0.99 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 1.74 0.91 3.37 3.38 0.00 0.39 -5.06 105.19 109.92 2jtm n GLY 47 Ca -0.23 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.95 1.90 -0.13 1.61 -2.85 -1.18 -4.89 119.74 111.25 2jtm s LYS 48 Ca 0.00 -1.06 -0.29 0.00 -1.00 0.00 0.00 55.97 53.62 2jtm s LYS 48 Cb 0.00 -2.04 -0.01 0.00 -2.06 0.00 0.00 37.83 33.72 2jtm s LYS 48 CO 0.00 0.52 0.98 0.71 0.10 0.00 0.00 175.35 177.67 2jtm s TYR 49 N -0.82 3.48 -0.00 1.78 1.51 -1.26 -0.70 117.35 121.34 2jtm s TYR 49 Ca 0.12 1.53 0.02 0.00 -1.01 0.00 0.00 57.07 57.73 2jtm s TYR 49 Cb -0.10 -3.17 -0.00 0.00 -0.11 0.00 0.00 41.96 38.57 2jtm s TYR 49 CO 0.03 -0.25 -0.06 -0.59 -1.11 0.00 0.00 175.55 173.57 2jtm s PHE 50 N 2.15 0.54 -0.01 2.71 -0.71 0.80 -4.94 117.98 118.51 2jtm s PHE 50 Ca 0.46 -0.10 -0.16 0.00 -1.04 0.00 0.00 56.93 56.10 2jtm s PHE 50 Cb -0.18 -0.35 -0.06 0.00 -1.21 0.00 0.00 43.02 41.23 2jtm s PHE 50 CO 0.16 -0.01 0.43 -0.98 -1.34 0.00 0.00 175.22 173.48 2jtm s ARG 51 N -0.15 4.00 -0.01 1.99 1.70 -1.26 0.14 118.95 125.36 2jtm s ARG 51 Ca 0.02 0.45 -0.07 0.00 -0.47 0.00 0.00 55.73 55.66 2jtm s ARG 51 Cb -0.02 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.11 2jtm s ARG 51 CO -0.00 0.63 0.13 -1.58 -1.08 0.00 0.00 175.30 173.40 2jtm s HIS 52 N -0.89 0.01 0.46 5.89 2.46 -0.26 -4.97 115.29 117.99 2jtm s HIS 52 Ca 0.24 -0.04 -0.23 0.00 0.47 0.00 0.00 55.06 55.51 2jtm s HIS 52 Cb -0.17 -0.03 -0.08 0.00 -0.13 0.00 0.00 32.58 32.17 2jtm s HIS 52 CO 0.14 -0.24 1.15 -1.59 -2.47 0.00 0.00 174.74 171.72 2jtm s LYS 53 N -1.09 3.79 0.40 2.88 0.00 -1.26 -1.08 119.74 123.38 2jtm s LYS 53 Ca -0.12 1.73 0.08 0.00 0.00 0.00 0.00 55.97 57.66 2jtm s LYS 53 Cb -0.06 -2.40 -0.00 0.00 0.00 0.00 0.00 37.83 35.36 2jtm s LYS 53 CO 0.01 -0.51 0.49 -0.51 0.00 0.00 0.00 175.35 174.83 2jtm s LEU 54 N -3.01 3.64 0.42 2.77 1.43 0.23 -4.83 118.68 119.32 2jtm s LEU 54 Ca 0.63 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 53.01 2jtm s LEU 54 Cb -0.27 -2.50 -0.08 0.00 0.03 0.00 0.00 46.19 43.37 2jtm s LEU 54 CO 0.33 -0.66 1.26 -2.84 0.23 0.00 0.00 176.35 174.68 2jtm s PRO 55 N -4.25 3.92 0.27 1.29 0.02 -1.26 -4.32 135.00 130.68 2jtm s PRO 55 Ca 0.51 2.05 0.25 0.00 0.02 0.00 0.00 61.00 63.84 2jtm s PRO 55 Cb -0.08 -2.68 0.95 0.00 0.02 0.00 0.00 34.50 32.70 2jtm s PRO 55 CO 0.31 -0.50 1.75 0.38 -0.33 0.00 0.00 177.00 178.61 2jtm h ASP 56 N 2.55 0.00 0.08 2.53 3.04 -1.93 -2.07 116.42 120.63 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 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2jtm h ASP 56 CO 0.62 0.00 -0.09 -0.67 -2.04 0.00 0.00 179.24 177.06 2jtm n ASP 57 N -2.34 1.35 -4.73 4.15 2.03 -1.26 -4.91 116.55 110.84 2jtm n ASP 57 Ca 0.03 -1.29 -0.41 0.00 0.52 0.00 0.00 54.79 53.65 2jtm n ASP 57 Cb 0.30 0.05 -0.04 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.18 3.76 -0.57 -0.67 5.04 -0.78 -5.00 117.35 116.96 2jtm s TYR 58 Ca 0.33 1.67 -0.28 0.00 -2.44 0.00 0.00 57.07 56.34 2jtm s TYR 58 Cb 0.20 -2.98 0.03 0.00 0.35 0.00 0.00 41.96 39.56 2jtm s TYR 58 CO 0.40 0.19 1.25 -2.14 -1.34 0.00 0.00 175.55 173.92 2jtm s PRO 59 N 0.14 3.48 0.00 4.97 0.02 -1.26 -4.96 135.00 137.38 2jtm s PRO 59 Ca 0.45 0.34 0.26 0.00 0.02 0.00 0.00 61.00 62.07 2jtm s PRO 59 Cb -0.22 -4.04 0.70 0.00 0.02 0.00 0.00 34.50 30.96 2jtm s PRO 59 CO 0.27 -1.73 1.55 0.44 -0.33 0.00 0.00 177.00 177.20