#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 2.81 -2.22 6.12 2.88 -1.26 -4.84 113.62 117.11 2jtm n SER 2 Ca 0.00 0.45 -0.30 0.00 -1.33 0.00 0.00 58.87 57.69 2jtm n SER 2 Cb 0.00 -1.39 0.05 0.00 -0.75 0.00 0.00 64.21 62.12 2jtm n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jtm n SER 3 N 9.88 6.40 -1.48 -3.46 7.64 -1.26 -4.65 113.62 126.69 2jtm n SER 3 Ca 0.33 -3.77 -0.09 0.00 1.01 0.00 0.00 58.87 56.35 2jtm n SER 3 Cb 0.32 -0.69 0.08 0.00 -1.01 0.00 0.00 64.21 62.91 2jtm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jtm n GLY 4 N -0.80 2.98 3.09 0.23 0.00 -1.26 -4.76 105.19 104.67 2jtm n GLY 4 Ca 0.54 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.16 0.41 -3.65 1.61 5.02 -1.26 -5.16 118.16 114.97 2jtm n LYS 5 Ca 0.24 -3.21 -0.20 0.00 -2.02 0.00 0.00 58.31 53.12 2jtm n LYS 5 Cb 0.97 2.55 -0.17 0.00 -0.02 0.00 0.00 35.03 38.36 2jtm n LYS 5 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jtm s LYS 6 N -3.32 -0.01 0.34 1.97 2.20 -1.26 -5.12 119.74 114.53 2jtm s LYS 6 Ca 0.37 0.35 -0.27 0.00 -0.36 0.00 0.00 55.97 56.06 2jtm s LYS 6 Cb 0.02 -0.68 -0.09 0.00 -1.51 0.00 0.00 37.83 35.57 2jtm s LYS 6 CO 0.26 -0.39 1.14 -1.25 -0.36 0.00 0.00 175.35 174.75 2jtm s PRO 7 N 2.21 4.38 0.01 4.03 0.04 -1.26 -4.41 135.00 139.99 2jtm s PRO 7 Ca 0.04 1.83 0.08 0.00 0.04 0.00 0.00 61.00 62.99 2jtm s PRO 7 Cb -0.13 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 2jtm s PRO 7 CO -0.05 -0.04 -0.24 0.54 0.04 0.00 0.00 177.00 177.26 2jtm s VAL 8 N -1.29 1.87 -0.40 -0.36 0.11 0.63 -4.82 120.40 116.14 2jtm s VAL 8 Ca 0.50 -1.12 -0.28 0.00 -2.93 0.00 0.00 61.98 58.15 2jtm s VAL 8 Cb -0.31 -1.58 -0.00 0.00 -1.53 0.00 0.00 36.38 32.96 2jtm s VAL 8 CO 0.40 0.43 1.60 -0.75 -3.33 0.00 0.00 175.10 173.45 2jtm s LYS 9 N -0.81 3.40 0.06 1.54 2.20 -1.26 -0.79 119.74 124.08 2jtm s LYS 9 Ca 0.09 1.09 0.07 0.00 -0.36 0.00 0.00 55.97 56.87 2jtm s LYS 9 Cb -0.09 -4.12 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 2jtm s LYS 9 CO 0.00 -1.78 -0.20 0.54 -0.36 0.00 0.00 175.35 173.55 2jtm s VAL 10 N 6.29 1.64 -0.20 4.02 0.11 -0.14 -4.92 120.40 127.19 2jtm s VAL 10 Ca 0.69 -1.27 -0.29 0.00 -2.93 0.00 0.00 61.98 58.17 2jtm s VAL 10 Cb -0.17 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 2jtm s VAL 10 CO 0.32 0.12 1.08 -0.54 -3.33 0.00 0.00 175.10 172.75 2jtm s LYS 11 N -1.36 4.27 0.67 1.54 1.02 -1.26 -2.00 119.74 122.61 2jtm s LYS 11 Ca 0.07 1.42 -0.11 0.00 0.02 0.00 0.00 55.97 57.37 2jtm s LYS 11 Cb -0.09 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 2jtm s LYS 11 CO 0.02 -0.61 1.06 0.95 -0.92 0.00 0.00 175.35 175.85 2jtm s THR 12 N 3.10 4.18 -0.32 2.17 -4.23 0.05 -4.94 115.64 115.65 2jtm s THR 12 Ca 0.47 0.71 0.26 0.00 -1.18 0.00 0.00 61.69 61.95 2jtm s THR 12 Cb -0.17 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.33 2jtm s THR 12 CO 0.09 -0.92 1.78 -0.65 -0.54 0.00 0.00 174.62 174.38 2jtm h PRO 13 N -0.54 0.00 0.06 3.99 0.11 -1.96 -2.55 132.00 131.11 2jtm h PRO 13 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jtm h PRO 13 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jtm h PRO 13 CO 0.61 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.37 2jtm h ALA 14 N 2.19 -0.08 0.00 -0.75 0.00 -2.02 -3.48 119.26 115.13 2jtm h ALA 14 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jtm h ALA 14 Cb 0.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jtm h ALA 14 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.40 2jtm n GLY 15 N 0.43 0.73 3.96 0.00 0.00 -0.96 -5.14 105.19 104.21 2jtm n GLY 15 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 2.66 -0.14 1.61 -2.85 -1.26 -4.76 119.74 115.00 2jtm s LYS 16 Ca 0.00 -0.62 -0.02 0.00 -1.00 0.00 0.00 55.97 54.32 2jtm s LYS 16 Cb 0.00 -2.47 -0.02 0.00 -2.06 0.00 0.00 37.83 33.28 2jtm s LYS 16 CO 0.00 -0.65 -0.07 -1.21 0.10 0.00 0.00 175.35 173.53 2jtm s GLU 17 N -4.76 3.52 0.06 1.78 2.02 -1.26 -0.77 118.70 119.29 2jtm s GLU 17 Ca 0.55 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.99 2jtm s GLU 17 Cb -0.10 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 2jtm s GLU 17 CO 0.39 0.27 -0.08 0.00 0.02 0.00 0.00 175.26 175.85 2jtm s ALA 18 N 0.27 0.75 -0.57 5.21 0.00 -0.85 -4.92 121.76 121.65 2jtm s ALA 18 Ca -0.05 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 2jtm s ALA 18 Cb -0.14 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2jtm s ALA 18 CO 0.04 -0.05 0.93 -1.21 0.00 0.00 0.00 175.76 175.47 2jtm s GLU 19 N -2.15 3.28 -0.03 0.00 8.01 -1.26 -0.97 118.70 125.58 2jtm s GLU 19 Ca -0.04 -0.39 0.03 0.00 0.01 0.00 0.00 54.97 54.58 2jtm s GLU 19 Cb -0.06 -4.09 -0.03 0.00 -4.31 0.00 0.00 34.13 25.64 2jtm s GLU 19 CO -0.01 -1.53 -0.09 -0.51 0.01 0.00 0.00 175.26 173.13 2jtm s LEU 20 N 3.92 3.06 -0.19 1.80 1.43 0.03 -4.74 118.68 123.98 2jtm s LEU 20 Ca 0.28 -0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 2jtm s LEU 20 Cb -0.14 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2jtm s LEU 20 CO 0.17 0.32 0.45 0.54 0.23 0.00 0.00 176.35 178.06 2jtm s VAL 21 N -0.88 5.17 -0.09 -1.59 0.11 -1.26 -0.27 120.40 121.58 2jtm s VAL 21 Ca 0.14 0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 59.72 2jtm s VAL 21 Cb -0.11 -3.78 -0.06 0.00 -1.53 0.00 0.00 36.38 30.90 2jtm s VAL 21 CO 0.04 0.24 1.86 -2.16 -3.33 0.00 0.00 175.10 171.75 2jtm s PRO 22 N 1.33 3.87 0.41 1.54 0.04 -1.26 -4.78 135.00 136.14 2jtm s PRO 22 Ca 0.22 2.18 0.28 0.00 0.04 0.00 0.00 61.00 63.72 2jtm s PRO 22 Cb -0.15 -4.13 1.09 0.00 0.04 0.00 0.00 34.50 31.35 2jtm s PRO 22 CO 0.09 -1.24 1.84 0.93 0.04 0.00 0.00 177.00 178.66 2jtm h GLU 23 N 11.26 0.00 -2.63 4.56 5.08 -0.68 -3.42 114.58 128.76 2jtm h GLU 23 Ca -0.42 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.83 2jtm h GLU 23 Cb 1.20 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 2jtm h GLU 23 CO 0.96 0.00 -0.18 0.21 -1.00 0.00 0.00 179.01 179.01 2jtm s LYS 24 N -3.45 0.54 -0.02 2.33 2.20 -1.24 -4.96 119.74 115.15 2jtm s LYS 24 Ca 0.04 0.62 0.04 0.00 -0.36 0.00 0.00 55.97 56.31 2jtm s LYS 24 Cb 0.09 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 2jtm s LYS 24 CO 0.50 -0.07 -0.13 0.14 -0.36 0.00 0.00 175.35 175.43 2jtm s VAL 25 N 0.20 1.08 0.04 4.02 -7.23 -1.26 -0.52 120.40 116.73 2jtm s VAL 25 Ca -0.00 -0.57 -0.17 0.00 -1.81 0.00 0.00 61.98 59.43 2jtm s VAL 25 Cb -0.03 -0.91 0.03 0.00 0.56 0.00 0.00 36.38 36.03 2jtm s VAL 25 CO 0.01 0.31 0.38 -1.66 -0.31 0.00 0.00 175.10 173.83 2jtm s TRP 26 N -0.22 -0.23 -0.04 2.82 -2.14 -0.20 -5.01 118.94 113.93 2jtm s TRP 26 Ca 0.03 0.18 0.07 0.00 2.66 0.00 0.00 56.10 59.05 2jtm s TRP 26 Cb -0.06 0.18 -0.02 0.00 -3.10 0.00 0.00 33.47 30.47 2jtm s TRP 26 CO -0.00 -0.54 -0.25 0.00 -2.66 0.00 0.00 176.95 173.50 2jtm s ALA 27 N -2.38 2.12 -0.35 2.67 0.00 -1.26 -0.37 121.76 122.18 2jtm s ALA 27 Ca -0.06 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2jtm s ALA 27 Cb -0.01 -0.59 0.07 0.00 0.00 0.00 0.00 23.12 22.58 2jtm s ALA 27 CO -0.02 0.47 0.11 -0.51 0.00 0.00 0.00 175.76 175.81 2jtm s LEU 28 N -0.40 4.50 -0.53 0.00 1.02 0.98 -4.96 118.68 119.29 2jtm s LEU 28 Ca 0.04 -1.46 -0.17 0.00 0.02 0.00 0.00 54.13 52.55 2jtm s LEU 28 Cb -0.11 -1.81 0.10 0.00 0.02 0.00 0.00 46.19 44.38 2jtm s LEU 28 CO 0.01 -0.38 0.56 0.00 0.02 0.00 0.00 176.35 176.55 2jtm s ALA 29 N 1.28 3.52 0.59 4.21 0.00 -1.26 -0.14 121.76 129.96 2jtm s ALA 29 Ca 0.00 -2.22 -0.16 0.00 0.00 0.00 0.00 51.96 49.58 2jtm s ALA 29 Cb -0.21 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2jtm s ALA 29 CO -0.01 -2.05 1.06 -2.14 0.00 0.00 0.00 175.76 172.63 2jtm s PRO 30 N 2.10 3.31 0.16 0.00 0.02 -1.26 -4.97 135.00 134.36 2jtm s PRO 30 Ca 0.08 1.23 -0.14 0.00 0.02 0.00 0.00 61.00 62.18 2jtm s PRO 30 Cb -0.25 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.28 2jtm s PRO 30 CO 0.06 -0.82 1.78 0.87 -0.33 0.00 0.00 177.00 178.56 2jtm h LYS 31 N 0.47 0.69 -0.61 5.54 6.56 -1.97 -2.75 116.57 124.50 2jtm h LYS 31 Ca -0.47 -0.07 -0.25 0.00 -1.06 0.00 0.00 60.65 58.80 2jtm h LYS 31 Cb 1.22 -0.14 -0.15 0.00 -0.57 0.00 0.00 32.23 32.60 2jtm h LYS 31 CO 0.57 0.53 0.22 0.41 -2.06 0.00 0.00 179.45 179.12 2jtm n GLY 32 N -1.05 4.32 2.31 3.86 0.00 -1.26 -4.96 105.19 108.40 2jtm n GLY 32 Ca 0.02 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.76 0.45 -0.08 1.61 1.74 -1.04 -5.09 116.66 113.49 2jtm n ARG 33 Ca 0.40 -2.39 -0.09 0.00 -0.77 0.00 0.00 57.85 55.00 2jtm n ARG 33 Cb 1.28 1.68 -0.05 0.00 -1.02 0.00 0.00 32.46 34.35 2jtm n ARG 33 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2jtm h LYS 34 N 0.00 0.00 0.00 5.56 6.56 -1.93 -3.42 116.57 123.34 2jtm h LYS 34 Ca -0.19 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 2jtm h LYS 34 Cb 0.85 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 2jtm h LYS 34 CO 0.29 0.36 0.00 0.41 -2.06 0.00 0.00 179.45 178.45 2jtm n GLY 35 N 1.60 4.26 3.32 3.86 0.00 -1.26 -4.67 105.19 112.30 2jtm n GLY 35 Ca -0.13 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.72 3.12 -0.19 1.61 -7.23 0.81 -4.92 120.40 112.89 2jtm s VAL 36 Ca 0.00 -0.60 -0.13 0.00 -1.81 0.00 0.00 61.98 59.43 2jtm s VAL 36 Cb 0.00 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2jtm s VAL 36 CO 0.00 0.48 0.28 -0.54 -0.31 0.00 0.00 175.10 175.00 2jtm s LYS 37 N 0.97 4.21 -0.01 4.82 1.02 -1.26 -0.01 119.74 129.47 2jtm s LYS 37 Ca -0.01 0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.06 2jtm s LYS 37 Cb -0.15 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2jtm s LYS 37 CO -0.01 0.16 -0.19 0.42 -0.92 0.00 0.00 175.35 174.81 2jtm s ILE 38 N 0.73 1.52 0.08 2.17 1.01 0.50 0.29 121.20 127.50 2jtm s ILE 38 Ca 0.15 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.01 2jtm s ILE 38 Cb -0.13 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2jtm s ILE 38 CO 0.04 0.40 -0.17 -0.83 0.00 0.00 0.00 174.94 174.38 2jtm s GLY 39 N -0.53 1.04 -0.19 6.18 0.00 -0.38 -1.03 107.32 112.41 2jtm s GLY 39 Ca 0.07 -1.11 -0.16 0.00 0.00 0.00 0.00 44.72 43.52 2jtm s GLY 39 CO -0.00 -1.13 0.40 -2.27 0.00 0.00 0.00 173.10 170.10 2jtm s LEU 40 N -1.81 4.17 0.35 0.66 2.96 0.33 -0.88 118.68 124.46 2jtm s LEU 40 Ca 0.02 0.54 0.08 0.00 -0.22 0.00 0.00 54.13 54.55 2jtm s LEU 40 Cb -0.10 -2.52 -0.07 0.00 0.50 0.00 0.00 46.19 44.00 2jtm s LEU 40 CO 0.03 -0.06 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.60 2jtm s PHE 41 N 1.18 2.31 -0.12 5.38 0.08 0.12 0.14 117.98 127.07 2jtm s PHE 41 Ca 0.19 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.63 2jtm s PHE 41 Cb -0.15 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 2jtm s PHE 41 CO 0.08 0.44 -0.12 0.21 -0.10 0.00 0.00 175.22 175.73 2jtm s LYS 42 N -3.68 1.94 0.14 0.44 2.20 -1.26 -0.57 119.74 118.95 2jtm s LYS 42 Ca 0.33 -0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 55.19 2jtm s LYS 42 Cb 0.05 -1.78 -0.09 0.00 -1.51 0.00 0.00 37.83 34.49 2jtm s LYS 42 CO 0.16 -0.17 1.52 0.34 -0.36 0.00 0.00 175.35 176.84 2jtm s ASP 43 N 1.33 6.66 0.00 1.43 2.15 0.12 -4.90 116.67 123.46 2jtm s ASP 43 Ca -0.01 2.52 0.30 0.00 0.43 0.00 0.00 52.55 55.79 2jtm s ASP 43 Cb -0.14 -2.59 1.54 0.00 -0.30 0.00 0.00 42.92 41.44 2jtm s ASP 43 CO -0.06 -0.78 2.05 -0.81 -0.17 0.00 0.00 175.17 175.41 2jtm n PRO 44 N 4.10 0.62 -0.11 4.34 -0.04 -1.26 -0.83 135.00 141.82 2jtm n PRO 44 Ca 0.13 -0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 2jtm n PRO 44 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 2jtm n PRO 44 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jtm n GLU 45 N -1.13 0.56 -0.02 0.54 4.07 -1.26 -4.69 120.64 118.71 2jtm n GLU 45 Ca 0.17 0.45 0.04 0.00 -0.06 0.00 0.00 57.16 57.75 2jtm n GLU 45 Cb 0.22 -1.64 -0.09 0.00 -0.06 0.00 0.00 31.44 29.87 2jtm n GLU 45 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2jtm n THR 46 N -4.39 0.16 -0.66 6.31 -2.24 -1.25 -5.00 114.28 107.20 2jtm n THR 46 Ca -0.36 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2jtm n THR 46 Cb 0.70 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.90 0.65 3.83 3.38 0.00 -0.01 -5.04 105.19 109.90 2jtm n GLY 47 Ca -0.06 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.53 4.18 0.10 1.61 -2.85 -1.25 -4.72 119.74 116.27 2jtm s LYS 48 Ca 0.00 0.87 -0.16 0.00 -1.00 0.00 0.00 55.97 55.68 2jtm s LYS 48 Cb 0.00 -2.58 -0.07 0.00 -2.06 0.00 0.00 37.83 33.13 2jtm s LYS 48 CO 0.00 0.22 0.53 0.71 0.10 0.00 0.00 175.35 176.91 2jtm s TYR 49 N -1.83 3.69 -0.14 1.78 1.51 -1.26 0.15 117.35 121.25 2jtm s TYR 49 Ca 0.51 1.11 -0.12 0.00 -1.01 0.00 0.00 57.07 57.56 2jtm s TYR 49 Cb -0.13 -2.39 0.04 0.00 -0.11 0.00 0.00 41.96 39.37 2jtm s TYR 49 CO 0.19 0.51 0.36 -0.59 -1.11 0.00 0.00 175.55 174.91 2jtm s PHE 50 N -1.30 -0.41 0.00 2.71 -0.71 0.27 -4.94 117.98 113.61 2jtm s PHE 50 Ca 0.33 0.98 -0.15 0.00 -1.04 0.00 0.00 56.93 57.05 2jtm s PHE 50 Cb -0.17 0.14 -0.06 0.00 -1.21 0.00 0.00 43.02 41.73 2jtm s PHE 50 CO 0.18 -0.20 0.41 -0.98 -1.34 0.00 0.00 175.22 173.29 2jtm s ARG 51 N 0.31 3.94 -0.02 1.99 1.70 -1.26 0.13 118.95 125.74 2jtm s ARG 51 Ca -0.01 0.42 -0.04 0.00 -0.47 0.00 0.00 55.73 55.63 2jtm s ARG 51 Cb -0.03 -3.23 0.00 0.00 -0.57 0.00 0.00 34.95 31.13 2jtm s ARG 51 CO -0.01 0.68 0.10 -1.58 -1.08 0.00 0.00 175.30 173.41 2jtm s HIS 52 N -1.04 -0.03 0.28 5.89 2.46 -0.06 -4.95 115.29 117.84 2jtm s HIS 52 Ca 0.24 0.08 -0.29 0.00 0.47 0.00 0.00 55.06 55.56 2jtm s HIS 52 Cb -0.17 -0.01 -0.10 0.00 -0.13 0.00 0.00 32.58 32.18 2jtm s HIS 52 CO 0.13 -0.13 1.09 -1.59 -2.47 0.00 0.00 174.74 171.78 2jtm s LYS 53 N -0.49 4.63 0.64 2.88 0.00 -1.26 -1.25 119.74 124.89 2jtm s LYS 53 Ca -0.06 1.79 -0.07 0.00 0.00 0.00 0.00 55.97 57.64 2jtm s LYS 53 Cb -0.04 -3.17 0.14 0.00 0.00 0.00 0.00 37.83 34.76 2jtm s LYS 53 CO 0.00 0.21 0.87 1.28 0.00 0.00 0.00 175.35 177.71 2jtm n LEU 54 N 1.15 0.00 -4.73 2.77 4.77 0.14 -4.88 117.00 116.23 2jtm n LEU 54 Ca -0.01 -1.31 -0.42 0.00 -0.03 0.00 0.00 56.01 54.25 2jtm n LEU 54 Cb 0.45 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2jtm n LEU 54 CO 0.54 -1.04 1.08 -2.84 -1.33 0.00 0.00 177.39 173.79 2jtm s PRO 55 N -4.80 4.31 0.00 3.23 0.02 -1.26 -4.77 135.00 131.73 2jtm s PRO 55 Ca 0.53 2.19 0.21 0.00 0.02 0.00 0.00 61.00 63.95 2jtm s PRO 55 Cb -0.02 -3.17 0.99 0.00 0.02 0.00 0.00 34.50 32.32 2jtm s PRO 55 CO 0.36 -0.40 1.69 -0.25 -0.33 0.00 0.00 177.00 178.06 2jtm n ASP 56 N 3.03 0.00 0.06 2.53 8.00 -1.26 -1.00 116.55 127.92 2jtm n ASP 56 Ca 0.09 0.25 0.12 0.00 0.71 0.00 0.00 54.79 55.96 2jtm n ASP 56 Cb 0.41 -0.40 0.22 0.00 -0.02 0.00 0.00 41.12 41.33 2jtm n ASP 56 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jtm n ASP 57 N -1.40 0.68 -4.72 -2.24 2.03 -1.26 -4.90 116.55 104.75 2jtm n ASP 57 Ca 0.08 0.16 -0.42 0.00 0.52 0.00 0.00 54.79 55.12 2jtm n ASP 57 Cb 0.21 0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 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 -3.14 2.83 -0.28 -0.67 5.04 -0.17 -4.93 117.35 116.03 2jtm s TYR 58 Ca 0.07 0.30 -0.25 0.00 -2.44 0.00 0.00 57.07 54.75 2jtm s TYR 58 Cb 0.14 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.30 2jtm s TYR 58 CO 0.70 -4.38 0.88 -1.25 -1.34 0.00 0.00 175.55 170.16 2jtm s PRO 59 N 1.32 4.08 0.00 4.97 0.04 -1.26 -5.00 135.00 139.16 2jtm s PRO 59 Ca 0.75 0.87 0.09 0.00 0.04 0.00 0.00 61.00 62.76 2jtm s PRO 59 Cb -0.49 -3.69 0.07 0.00 0.04 0.00 0.00 34.50 30.43 2jtm s PRO 59 CO 0.32 -0.66 0.79 0.44 0.04 0.00 0.00 177.00 177.93