#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 5.56 -0.31 7.83 0.01 -1.26 -4.29 113.70 121.24 2jtm s SER 2 Ca 0.00 0.11 0.18 0.00 1.31 0.00 0.00 55.95 57.55 2jtm s SER 2 Cb 0.00 -1.88 0.46 0.00 0.21 0.00 0.00 66.02 64.81 2jtm s SER 2 CO 0.00 0.23 1.17 -1.20 0.41 0.00 0.00 173.24 173.85 2jtm n SER 3 N 3.17 0.51 0.00 2.44 7.64 -1.26 -4.95 113.62 121.17 2jtm n SER 3 Ca -0.17 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.38 2jtm n SER 3 Cb 0.53 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.60 2.03 3.85 0.23 0.00 -1.26 -4.84 105.19 104.60 2jtm n GLY 4 Ca 0.02 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2jtm n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtm s LYS 5 N 0.00 3.98 -0.18 1.61 -2.85 -1.26 -4.97 119.74 116.07 2jtm s LYS 5 Ca 0.00 0.70 -0.15 0.00 -1.00 0.00 0.00 55.97 55.51 2jtm s LYS 5 Cb 0.00 -2.38 0.05 0.00 -2.06 0.00 0.00 37.83 33.44 2jtm s LYS 5 CO 0.00 0.08 0.47 -1.59 0.10 0.00 0.00 175.35 174.41 2jtm s LYS 6 N -3.23 0.53 0.39 1.78 -2.85 -1.26 -4.56 119.74 110.54 2jtm s LYS 6 Ca 0.55 0.70 -0.27 0.00 -1.00 0.00 0.00 55.97 55.95 2jtm s LYS 6 Cb -0.10 0.21 -0.10 0.00 -2.06 0.00 0.00 37.83 35.78 2jtm s LYS 6 CO 0.20 -0.09 1.40 -0.35 0.10 0.00 0.00 175.35 176.62 2jtm n PRO 7 N 3.15 2.35 -4.03 1.78 -0.04 -1.26 -4.32 135.00 132.63 2jtm n PRO 7 Ca -0.15 0.83 -0.11 0.00 -0.04 0.00 0.00 63.50 64.03 2jtm n PRO 7 Cb 0.57 -2.55 -0.11 0.00 -0.04 0.00 0.00 33.50 31.37 2jtm n PRO 7 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jtm s VAL 8 N -1.14 0.32 -0.44 0.52 0.11 0.32 -4.89 120.40 115.19 2jtm s VAL 8 Ca 0.57 -1.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.26 2jtm s VAL 8 Cb -0.49 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2jtm s VAL 8 CO 0.61 -0.49 1.41 -0.75 -3.33 0.00 0.00 175.10 172.55 2jtm s LYS 9 N -1.74 3.52 0.07 1.54 2.36 -1.26 -0.99 119.74 123.24 2jtm s LYS 9 Ca -0.11 0.84 0.03 0.00 -2.55 0.00 0.00 55.97 54.18 2jtm s LYS 9 Cb -0.08 -4.04 -0.03 0.00 -1.05 0.00 0.00 37.83 32.62 2jtm s LYS 9 CO -0.01 -1.64 -0.09 0.54 1.55 0.00 0.00 175.35 175.70 2jtm s VAL 10 N 5.57 0.74 -0.01 4.02 0.11 0.44 -4.92 120.40 126.35 2jtm s VAL 10 Ca 0.60 -1.42 -0.21 0.00 -2.93 0.00 0.00 61.98 58.02 2jtm s VAL 10 Cb -0.13 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 2jtm s VAL 10 CO 0.31 -0.50 0.62 -1.59 -3.33 0.00 0.00 175.10 170.61 2jtm s LYS 11 N -2.35 4.35 0.46 1.54 -2.85 -1.26 -0.76 119.74 118.88 2jtm s LYS 11 Ca -0.01 0.78 0.08 0.00 -1.00 0.00 0.00 55.97 55.82 2jtm s LYS 11 Cb -0.05 -3.36 0.02 0.00 -2.06 0.00 0.00 37.83 32.38 2jtm s LYS 11 CO -0.00 0.32 0.57 0.95 0.10 0.00 0.00 175.35 177.28 2jtm s THR 12 N -0.04 2.63 -0.95 3.79 -4.23 0.95 -4.97 115.64 112.81 2jtm s THR 12 Ca 0.32 -1.11 0.16 0.00 -1.18 0.00 0.00 61.69 59.89 2jtm s THR 12 Cb -0.18 -2.74 0.14 0.00 1.34 0.00 0.00 72.50 71.06 2jtm s THR 12 CO 0.18 0.00 1.52 -2.65 -0.54 0.00 0.00 174.62 173.13 2jtm n PRO 13 N -1.87 0.02 0.00 3.99 -0.02 -1.26 -2.07 135.00 133.79 2jtm n PRO 13 Ca 0.08 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 2jtm n PRO 13 Cb 0.61 -1.53 0.66 0.00 -0.02 0.00 0.00 33.50 33.21 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 -1.53 2.32 -2.06 3.55 0.00 -1.26 -4.88 120.51 116.66 2jtm n ALA 14 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2jtm n ALA 14 Cb 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.96 0.64 3.27 0.00 0.00 -0.88 -5.04 105.19 104.14 2jtm n GLY 15 Ca 0.12 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.16 1.20 -0.09 1.61 -2.85 -1.25 -4.98 119.74 109.22 2jtm s LYS 16 Ca 0.00 -1.48 0.04 0.00 -1.00 0.00 0.00 55.97 53.53 2jtm s LYS 16 Cb 0.00 0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 36.08 2jtm s LYS 16 CO 0.00 -0.41 -0.24 -1.21 0.10 0.00 0.00 175.35 173.59 2jtm s GLU 17 N -4.09 2.94 0.17 1.78 2.02 -1.26 -0.03 118.70 120.22 2jtm s GLU 17 Ca 0.31 -0.87 -0.11 0.00 0.02 0.00 0.00 54.97 54.32 2jtm s GLU 17 Cb 0.05 -2.25 -0.00 0.00 0.10 0.00 0.00 34.13 32.03 2jtm s GLU 17 CO 0.08 0.20 0.33 0.00 0.02 0.00 0.00 175.26 175.90 2jtm s ALA 18 N 0.28 -0.18 -0.44 5.21 0.00 0.06 -4.92 121.76 121.77 2jtm s ALA 18 Ca -0.17 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 2jtm s ALA 18 Cb -0.17 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2jtm s ALA 18 CO 0.08 -0.68 0.78 -1.21 0.00 0.00 0.00 175.76 174.74 2jtm s GLU 19 N -3.95 3.46 0.15 0.00 2.02 -1.26 -0.42 118.70 118.70 2jtm s GLU 19 Ca 0.15 -0.05 0.10 0.00 0.02 0.00 0.00 54.97 55.20 2jtm s GLU 19 Cb 0.02 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 2jtm s GLU 19 CO -0.01 -1.07 -0.23 -0.51 0.02 0.00 0.00 175.26 173.46 2jtm s LEU 20 N 3.25 2.37 -0.24 1.80 1.43 -0.16 -4.80 118.68 122.33 2jtm s LEU 20 Ca 0.30 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 2jtm s LEU 20 Cb -0.12 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 2jtm s LEU 20 CO 0.22 0.09 0.16 0.54 0.23 0.00 0.00 176.35 177.59 2jtm s VAL 21 N -1.45 5.30 0.14 -1.59 0.11 -1.26 -0.52 120.40 121.13 2jtm s VAL 21 Ca 0.14 0.16 -0.31 0.00 -2.93 0.00 0.00 61.98 59.05 2jtm s VAL 21 Cb -0.09 -3.47 -0.08 0.00 -1.53 0.00 0.00 36.38 31.21 2jtm s VAL 21 CO 0.07 0.34 1.32 -2.16 -3.33 0.00 0.00 175.10 171.34 2jtm s PRO 22 N 1.13 4.37 0.19 1.54 0.04 -1.26 -4.62 135.00 136.39 2jtm s PRO 22 Ca 0.07 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2jtm s PRO 22 Cb -0.14 -3.24 0.11 0.00 0.04 0.00 0.00 34.50 31.27 2jtm s PRO 22 CO 0.05 -0.33 1.47 1.49 0.04 0.00 0.00 177.00 179.72 2jtm h GLU 23 N 6.25 0.36 -3.41 4.56 4.57 -0.06 -3.42 114.58 123.43 2jtm h GLU 23 Ca -0.43 -0.28 -0.17 0.00 -1.18 0.00 0.00 59.36 57.31 2jtm h GLU 23 Cb 1.21 0.05 -0.24 0.00 -0.16 0.00 0.00 28.75 29.61 2jtm h GLU 23 CO 0.82 0.91 -0.51 0.21 -1.18 0.00 0.00 179.01 179.26 2jtm s LYS 24 N -3.67 0.32 -0.01 1.92 2.20 -1.24 -4.98 119.74 114.27 2jtm s LYS 24 Ca -0.05 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.56 2jtm s LYS 24 Cb 0.11 0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2jtm s LYS 24 CO 0.83 -0.06 -0.13 0.14 -0.36 0.00 0.00 175.35 175.76 2jtm s VAL 25 N -0.53 1.03 -0.02 4.02 -7.23 -1.26 -0.24 120.40 116.16 2jtm s VAL 25 Ca -0.06 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2jtm s VAL 25 Cb -0.04 -0.86 0.02 0.00 0.56 0.00 0.00 36.38 36.05 2jtm s VAL 25 CO 0.01 0.29 0.24 -1.66 -0.31 0.00 0.00 175.10 173.67 2jtm s TRP 26 N -0.29 -0.12 -0.17 2.82 -2.14 0.26 -5.00 118.94 114.31 2jtm s TRP 26 Ca 0.05 0.20 -0.06 0.00 2.66 0.00 0.00 56.10 58.94 2jtm s TRP 26 Cb -0.05 0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.32 2jtm s TRP 26 CO -0.00 -0.30 0.03 0.00 -2.66 0.00 0.00 176.95 174.02 2jtm s ALA 27 N -1.06 3.29 -0.75 2.67 0.00 -1.26 -0.65 121.76 124.00 2jtm s ALA 27 Ca -0.11 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2jtm s ALA 27 Cb -0.05 -1.82 0.20 0.00 0.00 0.00 0.00 23.12 21.45 2jtm s ALA 27 CO 0.02 0.19 0.63 -0.51 0.00 0.00 0.00 175.76 176.10 2jtm s LEU 28 N 0.36 6.02 -0.65 0.00 1.02 0.12 -4.98 118.68 120.56 2jtm s LEU 28 Ca 0.01 -2.84 0.04 0.00 0.02 0.00 0.00 54.13 51.35 2jtm s LEU 28 Cb -0.13 -2.04 0.16 0.00 0.02 0.00 0.00 46.19 44.20 2jtm s LEU 28 CO 0.01 -0.45 0.43 0.00 0.02 0.00 0.00 176.35 176.35 2jtm s ALA 29 N -0.06 3.66 -0.05 4.21 0.00 -1.26 -0.53 121.76 127.73 2jtm s ALA 29 Ca 0.18 -3.61 -0.30 0.00 0.00 0.00 0.00 51.96 48.24 2jtm s ALA 29 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2jtm s ALA 29 CO -0.06 -2.07 1.19 -2.14 0.00 0.00 0.00 175.76 172.67 2jtm s PRO 30 N -0.95 4.37 -0.34 0.00 0.02 -1.26 -4.94 135.00 131.91 2jtm s PRO 30 Ca 0.22 1.66 -0.27 0.00 0.02 0.00 0.00 61.00 62.62 2jtm s PRO 30 Cb -0.13 -3.54 -0.05 0.00 0.02 0.00 0.00 34.50 30.79 2jtm s PRO 30 CO -0.09 -0.42 2.25 0.21 -0.33 0.00 0.00 177.00 178.62 2jtm s LYS 31 N 2.10 2.75 0.00 5.54 2.36 -1.26 -0.36 119.74 130.87 2jtm s LYS 31 Ca 0.56 1.72 0.00 0.00 -2.55 0.00 0.00 55.97 55.70 2jtm s LYS 31 Cb -0.25 -4.44 0.00 0.00 -1.05 0.00 0.00 37.83 32.09 2jtm s LYS 31 CO 0.22 -2.54 0.00 0.41 1.55 0.00 0.00 175.35 175.00 2jtm n GLY 32 N 5.83 1.52 1.28 5.54 0.00 -1.26 -5.11 105.19 112.99 2jtm n GLY 32 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 1.06 -0.02 1.61 3.00 0.51 -5.04 116.66 117.78 2jtm n ARG 33 Ca 0.00 -1.09 -0.13 0.00 -0.01 0.00 0.00 57.85 56.62 2jtm n ARG 33 Cb 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 32.46 32.39 2jtm n ARG 33 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2jtm h LYS 34 N 0.00 -0.00 -0.91 5.56 3.11 -1.94 -3.46 116.57 118.93 2jtm h LYS 34 Ca -0.10 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2jtm h LYS 34 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 2jtm h LYS 34 CO 0.16 0.53 0.00 0.41 -2.81 0.00 0.00 179.45 177.73 2jtm n GLY 35 N 0.34 -0.72 3.65 5.01 0.00 -1.26 -5.00 105.19 107.22 2jtm n GLY 35 Ca -0.09 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 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 2.68 -0.03 1.61 -7.23 0.31 -4.92 120.40 112.83 2jtm s VAL 36 Ca 0.00 -1.91 0.06 0.00 -1.81 0.00 0.00 61.98 58.32 2jtm s VAL 36 Cb 0.00 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 2jtm s VAL 36 CO 0.00 -0.19 -0.22 -0.54 -0.31 0.00 0.00 175.10 173.84 2jtm s LYS 37 N -3.74 2.24 -0.01 4.82 1.02 -1.26 0.10 119.74 122.90 2jtm s LYS 37 Ca 0.35 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.52 2jtm s LYS 37 Cb -0.00 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 2jtm s LYS 37 CO 0.20 0.58 -0.11 0.42 -0.92 0.00 0.00 175.35 175.52 2jtm s ILE 38 N -0.67 0.90 0.04 2.17 1.01 0.18 0.12 121.20 124.96 2jtm s ILE 38 Ca 0.11 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2jtm s ILE 38 Cb -0.10 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2jtm s ILE 38 CO -0.00 0.26 -0.17 -0.83 0.00 0.00 0.00 174.94 174.20 2jtm s GLY 39 N -0.14 0.93 -0.24 6.18 0.00 0.35 -0.57 107.32 113.83 2jtm s GLY 39 Ca 0.02 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.66 2jtm s GLY 39 CO -0.00 -0.88 0.42 -2.27 0.00 0.00 0.00 173.10 170.38 2jtm s LEU 40 N -1.15 4.08 0.45 0.66 2.96 0.66 -0.34 118.68 126.00 2jtm s LEU 40 Ca 0.04 0.44 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 2jtm s LEU 40 Cb -0.08 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 2jtm s LEU 40 CO 0.01 -0.17 0.18 -0.36 -1.32 0.00 0.00 176.35 174.70 2jtm s PHE 41 N 1.86 2.32 -0.14 5.38 0.40 0.13 0.73 117.98 128.65 2jtm s PHE 41 Ca 0.18 -0.69 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 2jtm s PHE 41 Cb -0.15 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.52 2jtm s PHE 41 CO 0.09 0.09 -0.04 0.21 0.70 0.00 0.00 175.22 176.27 2jtm s LYS 42 N -3.96 1.26 0.11 0.44 2.20 -1.26 -0.42 119.74 118.11 2jtm s LYS 42 Ca 0.34 -0.36 -0.31 0.00 -0.36 0.00 0.00 55.97 55.28 2jtm s LYS 42 Cb 0.03 -1.78 -0.07 0.00 -1.51 0.00 0.00 37.83 34.49 2jtm s LYS 42 CO 0.19 -0.40 1.32 0.34 -0.36 0.00 0.00 175.35 176.44 2jtm s ASP 43 N 1.72 6.91 0.44 1.43 -1.08 0.07 -4.93 116.67 121.24 2jtm s ASP 43 Ca 0.02 2.24 0.23 0.00 -0.52 0.00 0.00 52.55 54.52 2jtm s ASP 43 Cb -0.14 -2.59 0.98 0.00 -1.46 0.00 0.00 42.92 39.71 2jtm s ASP 43 CO -0.07 -0.58 1.86 1.55 0.52 0.00 0.00 175.17 178.45 2jtm h PRO 44 N 6.64 0.00 0.03 4.34 0.13 -1.93 0.36 132.00 141.56 2jtm h PRO 44 Ca -0.42 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.33 2jtm h PRO 44 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2jtm h PRO 44 CO 0.84 0.24 -2.32 0.39 -0.23 0.00 0.00 178.00 176.91 2jtm n GLU 45 N -3.50 0.68 0.04 0.86 1.02 -1.26 -4.33 120.64 114.15 2jtm n GLU 45 Ca -0.00 0.16 -0.18 0.00 -0.02 0.00 0.00 57.16 57.11 2jtm n GLU 45 Cb 0.40 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 2jtm n GLU 45 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2jtm h THR 46 N 0.02 0.92 0.00 2.62 1.35 -1.99 -3.48 112.91 112.34 2jtm h THR 46 Ca -0.53 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 2jtm h THR 46 Cb 1.99 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 71.05 2jtm h THR 46 CO -0.02 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 2jtm n GLY 47 N 1.78 0.71 3.81 5.82 0.00 0.12 -5.04 105.19 112.38 2jtm n GLY 47 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.62 4.31 -0.06 1.61 -2.85 -1.24 -4.65 119.74 116.24 2jtm s LYS 48 Ca 0.00 0.93 -0.26 0.00 -1.00 0.00 0.00 55.97 55.64 2jtm s LYS 48 Cb 0.00 -2.92 -0.03 0.00 -2.06 0.00 0.00 37.83 32.82 2jtm s LYS 48 CO 0.00 0.41 0.82 0.71 0.10 0.00 0.00 175.35 177.39 2jtm s TYR 49 N -1.48 3.58 -0.01 1.78 1.51 -1.26 -0.75 117.35 120.73 2jtm s TYR 49 Ca 0.42 1.41 0.03 0.00 -1.01 0.00 0.00 57.07 57.92 2jtm s TYR 49 Cb -0.18 -2.94 -0.01 0.00 -0.11 0.00 0.00 41.96 38.73 2jtm s TYR 49 CO 0.22 0.01 -0.08 -0.59 -1.11 0.00 0.00 175.55 173.99 2jtm s PHE 50 N 1.06 0.75 -0.09 2.71 -0.71 0.44 -4.94 117.98 117.20 2jtm s PHE 50 Ca 0.43 -0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 56.01 2jtm s PHE 50 Cb -0.19 -0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 41.09 2jtm s PHE 50 CO 0.21 -0.02 0.42 -0.98 -1.34 0.00 0.00 175.22 173.51 2jtm s ARG 51 N -0.16 4.19 0.03 1.99 1.70 -1.26 0.22 118.95 125.66 2jtm s ARG 51 Ca 0.03 0.36 0.02 0.00 -0.47 0.00 0.00 55.73 55.67 2jtm s ARG 51 Cb -0.04 -3.37 -0.02 0.00 -0.57 0.00 0.00 34.95 30.96 2jtm s ARG 51 CO -0.00 0.34 -0.07 -1.58 -1.08 0.00 0.00 175.30 172.91 2jtm s HIS 52 N 0.06 0.57 0.33 5.89 2.46 0.54 -4.94 115.29 120.20 2jtm s HIS 52 Ca 0.23 -0.44 -0.29 0.00 0.47 0.00 0.00 55.06 55.03 2jtm s HIS 52 Cb -0.15 -0.35 -0.10 0.00 -0.13 0.00 0.00 32.58 31.85 2jtm s HIS 52 CO 0.10 -0.09 1.38 0.21 -2.47 0.00 0.00 174.74 173.87 2jtm s LYS 53 N -1.35 4.28 0.43 2.88 2.20 -1.26 -0.49 119.74 126.43 2jtm s LYS 53 Ca -0.09 2.32 0.08 0.00 -0.36 0.00 0.00 55.97 57.92 2jtm s LYS 53 Cb -0.09 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 2jtm s LYS 53 CO 0.00 -0.32 0.53 -0.51 -0.36 0.00 0.00 175.35 174.69 2jtm s LEU 54 N -1.60 3.55 0.50 5.43 1.43 0.12 -4.84 118.68 123.27 2jtm s LEU 54 Ca 0.52 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 2jtm s LEU 54 Cb -0.42 -2.43 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 2jtm s LEU 54 CO 0.54 -0.77 1.21 -2.84 0.23 0.00 0.00 176.35 174.71 2jtm s PRO 55 N -4.31 3.50 0.37 1.29 0.02 -1.26 -4.51 135.00 130.10 2jtm s PRO 55 Ca 0.53 1.86 0.07 0.00 0.02 0.00 0.00 61.00 63.48 2jtm s PRO 55 Cb -0.08 -2.28 0.74 0.00 0.02 0.00 0.00 34.50 32.90 2jtm s PRO 55 CO 0.32 -0.79 1.93 -0.44 -0.33 0.00 0.00 177.00 177.69 2jtm h ASP 56 N 1.70 0.37 -0.26 2.53 5.19 -1.96 -1.96 116.42 122.03 2jtm h ASP 56 Ca -0.50 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 2jtm h ASP 56 Cb 1.27 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2jtm h ASP 56 CO 0.59 0.44 0.00 -0.90 -3.12 0.00 0.00 179.24 176.25 2jtm n ASP 57 N -4.32 1.65 -4.61 6.45 5.75 -1.26 -4.81 116.55 115.40 2jtm n ASP 57 Ca 0.01 -1.88 -0.42 0.00 -0.01 0.00 0.00 54.79 52.48 2jtm n ASP 57 Cb 0.22 -0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.66 3.14 -0.26 2.11 5.04 -0.74 -4.99 117.35 120.00 2jtm s TYR 58 Ca 0.25 0.88 -0.29 0.00 -2.44 0.00 0.00 57.07 55.47 2jtm s TYR 58 Cb 0.13 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.95 2jtm s TYR 58 CO 0.19 -0.71 1.22 -1.25 -1.34 0.00 0.00 175.55 173.66 2jtm s PRO 59 N 3.31 4.07 0.00 4.97 0.04 -1.26 -4.94 135.00 141.19 2jtm s PRO 59 Ca 0.38 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.80 2jtm s PRO 59 Cb -0.13 -3.80 0.03 0.00 0.04 0.00 0.00 34.50 30.64 2jtm s PRO 59 CO 0.15 -0.91 0.61 0.44 0.04 0.00 0.00 177.00 177.33