#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 5.14 -4.48 6.12 7.64 -1.26 -4.19 113.62 122.58 2jtm n SER 2 Ca 0.00 -2.98 -0.43 0.00 1.01 0.00 0.00 58.87 56.47 2jtm n SER 2 Cb 0.00 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 61.59 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 2.86 6.71 0.00 6.43 0.01 -1.26 -4.72 113.70 123.72 2jtm s SER 3 Ca 0.44 -2.16 0.00 0.00 1.31 0.00 0.00 55.95 55.55 2jtm s SER 3 Cb -0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2jtm s SER 3 CO 0.01 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.19 2jtm n GLY 4 N 5.44 1.52 1.31 3.44 0.00 -1.26 -4.80 105.19 110.85 2jtm n GLY 4 Ca 0.29 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 0.20 -3.29 1.61 5.02 -1.26 -5.05 118.16 115.39 2jtm n LYS 5 Ca 0.00 -0.87 -0.38 0.00 -2.02 0.00 0.00 58.31 55.04 2jtm n LYS 5 Cb 0.00 -0.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.68 2jtm n LYS 5 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2jtm s LYS 6 N -3.44 4.33 0.82 1.97 -2.85 -1.26 -4.83 119.74 114.47 2jtm s LYS 6 Ca 0.23 0.47 -0.09 0.00 -1.00 0.00 0.00 55.97 55.57 2jtm s LYS 6 Cb -0.01 -3.45 0.13 0.00 -2.06 0.00 0.00 37.83 32.44 2jtm s LYS 6 CO 0.15 0.11 1.15 -1.25 0.10 0.00 0.00 175.35 175.61 2jtm s PRO 7 N 0.78 1.45 -0.06 1.78 0.04 -1.26 -4.53 135.00 133.20 2jtm s PRO 7 Ca 0.26 -0.48 -0.06 0.00 0.04 0.00 0.00 61.00 60.77 2jtm s PRO 7 Cb -0.15 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.34 2jtm s PRO 7 CO 0.11 -1.78 0.17 0.54 0.04 0.00 0.00 177.00 176.08 2jtm s VAL 8 N -3.50 0.00 -0.43 -0.36 0.11 0.38 -4.92 120.40 111.69 2jtm s VAL 8 Ca 0.67 -0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 59.40 2jtm s VAL 8 Cb -0.07 -0.25 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2jtm s VAL 8 CO 0.48 -0.02 1.46 -0.75 -3.33 0.00 0.00 175.10 172.94 2jtm s LYS 9 N 0.02 3.50 0.01 1.54 2.20 -1.26 -1.00 119.74 124.75 2jtm s LYS 9 Ca -0.01 0.91 0.05 0.00 -0.36 0.00 0.00 55.97 56.57 2jtm s LYS 9 Cb -0.01 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2jtm s LYS 9 CO 0.00 -1.66 -0.15 0.54 -0.36 0.00 0.00 175.35 173.73 2jtm s VAL 10 N 5.72 1.15 -0.20 4.02 0.11 0.48 -4.86 120.40 126.82 2jtm s VAL 10 Ca 0.62 -0.81 -0.29 0.00 -2.93 0.00 0.00 61.98 58.57 2jtm s VAL 10 Cb -0.14 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2jtm s VAL 10 CO 0.32 0.18 1.20 -0.54 -3.33 0.00 0.00 175.10 172.92 2jtm s LYS 11 N -0.73 4.21 0.62 1.54 1.02 -1.26 -1.22 119.74 123.93 2jtm s LYS 11 Ca 0.04 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2jtm s LYS 11 Cb -0.07 -3.74 0.07 0.00 -0.52 0.00 0.00 37.83 33.58 2jtm s LYS 11 CO 0.00 -0.72 0.87 0.95 -0.92 0.00 0.00 175.35 175.53 2jtm s THR 12 N 3.49 2.43 -0.47 2.17 -4.23 0.95 -4.97 115.64 115.01 2jtm s THR 12 Ca 0.52 -0.62 0.23 0.00 -1.18 0.00 0.00 61.69 60.64 2jtm s THR 12 Cb -0.19 -2.81 0.24 0.00 1.34 0.00 0.00 72.50 71.07 2jtm s THR 12 CO 0.13 0.00 1.70 -2.65 -0.54 0.00 0.00 174.62 173.26 2jtm n PRO 13 N -2.56 0.19 0.24 3.99 -0.02 -1.26 -1.77 135.00 133.80 2jtm n PRO 13 Ca 0.11 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 2jtm n PRO 13 Cb 0.60 -1.87 0.46 0.00 -0.02 0.00 0.00 33.50 32.66 2jtm n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jtm h ALA 14 N 2.25 1.00 0.00 3.55 0.00 -2.01 -3.46 119.26 120.58 2jtm h ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jtm h ALA 14 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jtm h ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jtm n GLY 15 N 0.53 0.65 3.78 0.00 0.00 -0.73 -5.08 105.19 104.34 2jtm n GLY 15 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.86 2.80 -0.31 1.61 -2.85 -1.26 -4.86 119.74 114.01 2jtm s LYS 16 Ca 0.00 -0.99 -0.00 0.00 -1.00 0.00 0.00 55.97 53.98 2jtm s LYS 16 Cb 0.00 -2.55 0.07 0.00 -2.06 0.00 0.00 37.83 33.28 2jtm s LYS 16 CO 0.00 0.45 0.01 -2.00 0.10 0.00 0.00 175.35 173.91 2jtm s GLU 17 N -3.32 2.20 0.18 1.78 2.12 -1.26 -0.04 118.70 120.37 2jtm s GLU 17 Ca 0.31 -1.45 0.07 0.00 0.36 0.00 0.00 54.97 54.26 2jtm s GLU 17 Cb -0.09 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 2jtm s GLU 17 CO 0.23 -0.72 -0.13 0.00 -0.54 0.00 0.00 175.26 174.10 2jtm s ALA 18 N 1.16 1.81 -0.50 6.30 0.00 -0.35 -4.76 121.76 125.41 2jtm s ALA 18 Ca -0.02 -1.59 -0.28 0.00 0.00 0.00 0.00 51.96 50.07 2jtm s ALA 18 Cb -0.20 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2jtm s ALA 18 CO -0.03 0.02 1.13 -1.21 0.00 0.00 0.00 175.76 175.66 2jtm s GLU 19 N -3.64 3.65 0.07 0.00 8.01 -1.26 -0.39 118.70 125.14 2jtm s GLU 19 Ca 0.20 0.44 0.10 0.00 0.01 0.00 0.00 54.97 55.71 2jtm s GLU 19 Cb 0.00 -3.94 -0.03 0.00 -4.31 0.00 0.00 34.13 25.85 2jtm s GLU 19 CO 0.05 -1.45 -0.26 -0.51 0.01 0.00 0.00 175.26 173.10 2jtm s LEU 20 N 4.52 2.27 -0.20 1.80 1.43 -0.17 -4.80 118.68 123.52 2jtm s LEU 20 Ca 0.46 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 2jtm s LEU 20 Cb -0.07 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2jtm s LEU 20 CO 0.30 0.23 0.29 0.54 0.23 0.00 0.00 176.35 177.94 2jtm s VAL 21 N -0.90 5.29 0.31 -1.59 0.11 -1.26 -0.47 120.40 121.89 2jtm s VAL 21 Ca 0.13 0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 59.38 2jtm s VAL 21 Cb -0.10 -3.63 -0.12 0.00 -1.53 0.00 0.00 36.38 31.01 2jtm s VAL 21 CO 0.04 0.33 1.55 -2.65 -3.33 0.00 0.00 175.10 171.04 2jtm n PRO 22 N 4.05 2.65 -0.13 1.54 -0.02 -1.26 -4.82 135.00 137.01 2jtm n PRO 22 Ca -0.12 0.94 -0.11 0.00 -2.02 0.00 0.00 63.50 62.19 2jtm n PRO 22 Cb 0.52 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 2jtm n PRO 22 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jtm h GLU 23 N 4.30 0.79 -3.23 -0.52 4.22 -0.79 -3.45 114.58 115.89 2jtm h GLU 23 Ca -0.48 -0.32 -0.13 0.00 0.08 0.00 0.00 59.36 58.52 2jtm h GLU 23 Cb 1.23 -0.03 -0.20 0.00 0.50 0.00 0.00 28.75 30.25 2jtm h GLU 23 CO 0.75 0.94 -0.36 -1.59 -2.18 0.00 0.00 179.01 176.57 2jtm s LYS 24 N -4.71 0.60 0.11 1.92 -2.85 -1.25 -5.02 119.74 108.54 2jtm s LYS 24 Ca -0.12 -0.29 0.09 0.00 -1.00 0.00 0.00 55.97 54.64 2jtm s LYS 24 Cb 0.10 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 2jtm s LYS 24 CO 0.82 -0.16 -0.21 0.14 0.10 0.00 0.00 175.35 176.04 2jtm s VAL 25 N -1.40 1.80 0.25 1.79 -7.23 -1.26 -1.60 120.40 112.75 2jtm s VAL 25 Ca -0.14 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.24 2jtm s VAL 25 Cb -0.06 -1.65 0.02 0.00 0.56 0.00 0.00 36.38 35.25 2jtm s VAL 25 CO 0.03 -0.07 0.60 -1.66 -0.31 0.00 0.00 175.10 173.69 2jtm s TRP 26 N -1.24 -0.00 0.02 2.82 -2.14 -0.12 -5.01 118.94 113.27 2jtm s TRP 26 Ca 0.08 -0.39 0.01 0.00 2.66 0.00 0.00 56.10 58.46 2jtm s TRP 26 Cb -0.10 0.47 -0.02 0.00 -3.10 0.00 0.00 33.47 30.73 2jtm s TRP 26 CO 0.05 -1.08 -0.04 0.00 -2.66 0.00 0.00 176.95 173.21 2jtm s ALA 27 N -3.94 0.29 -0.25 2.67 0.00 -1.26 -0.04 121.76 119.23 2jtm s ALA 27 Ca 0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 2jtm s ALA 27 Cb -0.03 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2jtm s ALA 27 CO 0.05 -0.06 -0.07 -0.51 0.00 0.00 0.00 175.76 175.17 2jtm s LEU 28 N -1.13 3.27 -0.30 0.00 1.02 0.48 -4.88 118.68 117.13 2jtm s LEU 28 Ca -0.10 -1.00 -0.03 0.00 0.02 0.00 0.00 54.13 53.03 2jtm s LEU 28 Cb -0.08 -1.64 0.10 0.00 0.02 0.00 0.00 46.19 44.59 2jtm s LEU 28 CO -0.00 -0.15 0.12 0.00 0.02 0.00 0.00 176.35 176.33 2jtm s ALA 29 N 1.28 1.01 -0.03 4.21 0.00 -1.26 -0.57 121.76 126.40 2jtm s ALA 29 Ca -0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 2jtm s ALA 29 Cb -0.17 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.45 2jtm s ALA 29 CO -0.05 -1.66 0.08 -1.35 0.00 0.00 0.00 175.76 172.78 2jtm h PRO 30 N 8.27 -0.03 0.00 0.00 0.11 -1.97 -3.50 132.00 134.89 2jtm h PRO 30 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2jtm h PRO 30 Cb 1.01 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jtm h PRO 30 CO 0.45 -0.02 0.00 1.63 -0.21 0.00 0.00 178.00 179.86 2jtm n LYS 31 N -2.83 2.55 -2.07 1.05 5.02 -1.26 -5.01 118.16 115.62 2jtm n LYS 31 Ca -0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2jtm n LYS 31 Cb 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.96 2jtm n LYS 31 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jtm s GLY 32 N 0.00 0.19 0.03 0.72 0.00 -1.26 -4.83 107.32 102.18 2jtm s GLY 32 Ca 0.00 -1.86 -0.14 0.00 0.00 0.00 0.00 44.72 42.72 2jtm s GLY 32 CO 0.00 3.51 0.30 -1.60 0.00 0.00 0.00 173.10 175.31 2jtm s ARG 33 N 6.69 0.78 0.30 2.90 3.00 -1.26 -5.06 118.95 126.30 2jtm s ARG 33 Ca 0.69 -0.46 0.02 0.00 -1.00 0.00 0.00 55.73 54.98 2jtm s ARG 33 Cb -0.03 0.34 0.75 0.00 0.00 0.00 0.00 34.95 36.01 2jtm s ARG 33 CO 0.07 -0.24 1.60 0.87 0.00 0.00 0.00 175.30 177.59 2jtm h LYS 34 N 3.33 0.08 -0.08 5.12 1.79 -1.92 -3.47 116.57 121.42 2jtm h LYS 34 Ca -0.31 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2jtm h LYS 34 Cb 1.20 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2jtm h LYS 34 CO 0.45 0.05 0.00 0.41 -1.08 0.00 0.00 179.45 179.28 2jtm n GLY 35 N -1.43 -0.30 3.64 3.86 0.00 -1.26 -4.99 105.19 104.71 2jtm n GLY 35 Ca 0.23 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 4.07 0.02 1.61 -7.23 0.26 -4.57 120.40 114.56 2jtm s VAL 36 Ca 0.00 1.23 -0.29 0.00 -1.81 0.00 0.00 61.98 61.11 2jtm s VAL 36 Cb 0.00 -4.03 -0.04 0.00 0.56 0.00 0.00 36.38 32.87 2jtm s VAL 36 CO 0.00 -0.38 0.93 -0.54 -0.31 0.00 0.00 175.10 174.81 2jtm s LYS 37 N 4.14 4.57 0.01 4.82 1.02 -1.26 -0.39 119.74 132.64 2jtm s LYS 37 Ca 0.59 1.35 0.02 0.00 0.02 0.00 0.00 55.97 57.95 2jtm s LYS 37 Cb -0.19 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 2jtm s LYS 37 CO 0.23 0.03 -0.08 0.42 -0.92 0.00 0.00 175.35 175.03 2jtm s ILE 38 N 0.75 0.60 0.07 2.17 1.01 0.95 0.25 121.20 126.99 2jtm s ILE 38 Ca 0.49 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.71 2jtm s ILE 38 Cb -0.21 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2jtm s ILE 38 CO 0.27 0.06 -0.16 -0.83 0.00 0.00 0.00 174.94 174.28 2jtm s GLY 39 N -0.48 0.94 -0.22 6.18 0.00 -0.05 -0.94 107.32 112.74 2jtm s GLY 39 Ca 0.01 -1.03 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 2jtm s GLY 39 CO -0.00 -1.04 0.22 -2.27 0.00 0.00 0.00 173.10 170.01 2jtm s LEU 40 N -1.67 4.14 0.43 0.66 2.96 -0.63 -0.72 118.68 123.85 2jtm s LEU 40 Ca 0.01 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 2jtm s LEU 40 Cb -0.10 -2.22 -0.06 0.00 0.50 0.00 0.00 46.19 44.31 2jtm s LEU 40 CO 0.03 0.04 0.02 -0.36 -1.32 0.00 0.00 176.35 174.76 2jtm s PHE 41 N 1.05 2.37 -0.10 5.38 0.08 0.12 0.01 117.98 126.90 2jtm s PHE 41 Ca 0.11 -0.73 -0.00 0.00 0.12 0.00 0.00 56.93 56.43 2jtm s PHE 41 Cb -0.14 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2jtm s PHE 41 CO 0.05 0.38 -0.07 0.21 -0.10 0.00 0.00 175.22 175.68 2jtm s LYS 42 N -3.76 1.40 0.06 0.44 2.20 -1.26 -0.53 119.74 118.28 2jtm s LYS 42 Ca 0.29 -0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.37 2jtm s LYS 42 Cb 0.08 -1.44 -0.06 0.00 -1.51 0.00 0.00 37.83 34.90 2jtm s LYS 42 CO 0.15 -0.22 1.23 0.34 -0.36 0.00 0.00 175.35 176.49 2jtm s ASP 43 N 1.55 7.04 0.33 1.43 -1.08 0.35 -4.93 116.67 121.35 2jtm s ASP 43 Ca 0.01 2.06 0.09 0.00 -0.52 0.00 0.00 52.55 54.19 2jtm s ASP 43 Cb -0.13 -2.58 0.57 0.00 -1.46 0.00 0.00 42.92 39.32 2jtm s ASP 43 CO -0.06 -0.51 1.76 -0.65 0.52 0.00 0.00 175.17 176.24 2jtm h PRO 44 N 6.85 0.15 0.02 4.34 0.11 -1.93 0.14 132.00 141.68 2jtm h PRO 44 Ca -0.41 -0.06 -0.37 0.00 0.11 0.00 0.00 66.00 65.27 2jtm h PRO 44 Cb 1.21 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2jtm h PRO 44 CO 0.82 0.51 -2.29 -0.85 -0.21 0.00 0.00 178.00 175.99 2jtm n GLU 45 N -4.06 0.68 0.05 1.05 0.28 -1.26 -4.27 120.64 113.11 2jtm n GLU 45 Ca -0.01 0.12 0.01 0.00 -0.16 0.00 0.00 57.16 57.12 2jtm n GLU 45 Cb 0.44 -1.58 -0.06 0.00 1.43 0.00 0.00 31.44 31.67 2jtm n GLU 45 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2jtm h THR 46 N 0.01 0.53 0.00 3.84 1.35 -1.99 -3.48 112.91 113.17 2jtm h THR 46 Ca -0.51 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 2jtm h THR 46 Cb 2.06 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 2jtm h THR 46 CO -0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2jtm n GLY 47 N 1.35 1.60 3.84 5.82 0.00 0.04 -5.01 105.19 112.82 2jtm n GLY 47 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.28 4.08 -0.19 1.61 -2.85 -1.25 -4.63 119.74 116.23 2jtm s LYS 48 Ca 0.00 0.89 -0.15 0.00 -1.00 0.00 0.00 55.97 55.71 2jtm s LYS 48 Cb 0.00 -2.28 -0.04 0.00 -2.06 0.00 0.00 37.83 33.45 2jtm s LYS 48 CO 0.00 0.00 0.36 0.71 0.10 0.00 0.00 175.35 176.52 2jtm s TYR 49 N -2.18 3.39 -0.01 1.78 1.51 -1.26 -0.49 117.35 120.08 2jtm s TYR 49 Ca 0.58 0.59 0.04 0.00 -1.01 0.00 0.00 57.07 57.27 2jtm s TYR 49 Cb -0.10 -2.47 -0.01 0.00 -0.11 0.00 0.00 41.96 39.28 2jtm s TYR 49 CO 0.18 0.06 -0.12 -0.59 -1.11 0.00 0.00 175.55 173.97 2jtm s PHE 50 N 1.08 1.11 -0.18 2.71 -0.71 0.31 -4.93 117.98 117.37 2jtm s PHE 50 Ca 0.18 -0.23 -0.14 0.00 -1.04 0.00 0.00 56.93 55.70 2jtm s PHE 50 Cb -0.14 -0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 40.89 2jtm s PHE 50 CO 0.07 -0.04 0.31 -0.98 -1.34 0.00 0.00 175.22 173.24 2jtm s ARG 51 N -0.20 4.22 0.02 1.99 1.70 -1.26 0.15 118.95 125.57 2jtm s ARG 51 Ca 0.03 0.09 0.03 0.00 -0.47 0.00 0.00 55.73 55.40 2jtm s ARG 51 Cb -0.06 -3.47 -0.01 0.00 -0.57 0.00 0.00 34.95 30.84 2jtm s ARG 51 CO -0.00 0.15 -0.08 -1.58 -1.08 0.00 0.00 175.30 172.70 2jtm s HIS 52 N 0.75 0.71 0.37 5.89 2.46 0.10 -4.94 115.29 120.63 2jtm s HIS 52 Ca 0.16 -0.27 -0.28 0.00 0.47 0.00 0.00 55.06 55.14 2jtm s HIS 52 Cb -0.13 -0.44 -0.11 0.00 -0.13 0.00 0.00 32.58 31.77 2jtm s HIS 52 CO 0.05 -0.02 1.51 0.21 -2.47 0.00 0.00 174.74 174.01 2jtm s LYS 53 N -0.76 4.10 0.45 2.88 2.20 -1.26 -0.87 119.74 126.48 2jtm s LYS 53 Ca -0.02 2.59 0.05 0.00 -0.36 0.00 0.00 55.97 58.23 2jtm s LYS 53 Cb -0.06 -2.97 0.01 0.00 -1.51 0.00 0.00 37.83 33.30 2jtm s LYS 53 CO 0.00 -0.56 0.63 -0.51 -0.36 0.00 0.00 175.35 174.55 2jtm s LEU 54 N -1.87 3.59 0.38 5.43 1.43 0.14 -4.82 118.68 122.96 2jtm s LEU 54 Ca 0.54 -0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.21 2jtm s LEU 54 Cb -0.47 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 42.85 2jtm s LEU 54 CO 0.61 -0.82 1.31 -2.84 0.23 0.00 0.00 176.35 174.84 2jtm s PRO 55 N -4.48 4.09 0.28 1.29 0.02 -1.26 -4.60 135.00 130.35 2jtm s PRO 55 Ca 0.53 2.18 0.03 0.00 0.02 0.00 0.00 61.00 63.76 2jtm s PRO 55 Cb -0.10 -2.86 0.67 0.00 0.02 0.00 0.00 34.50 32.23 2jtm s PRO 55 CO 0.35 -0.40 1.74 -0.44 -0.33 0.00 0.00 177.00 177.92 2jtm h ASP 56 N 2.90 0.53 -0.54 2.53 5.19 -1.95 -0.82 116.42 124.27 2jtm h ASP 56 Ca -0.49 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2jtm h ASP 56 Cb 1.24 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2jtm h ASP 56 CO 0.63 0.15 0.00 0.47 -3.12 0.00 0.00 179.24 177.38 2jtm n ASP 57 N -4.91 4.20 -4.65 6.45 9.92 -1.26 -4.89 116.55 121.40 2jtm n ASP 57 Ca 0.21 -2.43 -0.42 0.00 -0.53 0.00 0.00 54.79 51.61 2jtm n ASP 57 Cb 0.56 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 40.46 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2jtm s TYR 58 N -1.90 3.35 -0.30 1.24 5.04 -0.32 -4.99 117.35 119.48 2jtm s TYR 58 Ca 0.43 1.27 -0.29 0.00 -2.44 0.00 0.00 57.07 56.04 2jtm s TYR 58 Cb 0.29 -3.11 -0.00 0.00 0.35 0.00 0.00 41.96 39.49 2jtm s TYR 58 CO 0.20 -0.38 1.38 -1.25 -1.34 0.00 0.00 175.55 174.15 2jtm s PRO 59 N 2.77 3.85 0.00 4.97 0.04 -1.26 -4.93 135.00 140.43 2jtm s PRO 59 Ca 0.39 1.29 0.13 0.00 0.04 0.00 0.00 61.00 62.84 2jtm s PRO 59 Cb -0.16 -3.93 0.10 0.00 0.04 0.00 0.00 34.50 30.56 2jtm s PRO 59 CO 0.08 -1.21 0.91 0.44 0.04 0.00 0.00 177.00 177.26