#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 5.12 -0.45 7.83 0.01 -1.26 -5.04 113.70 119.91 2jtm s SER 2 Ca 0.00 -0.99 -0.27 0.00 1.31 0.00 0.00 55.95 55.99 2jtm s SER 2 Cb 0.00 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 2jtm s SER 2 CO 0.00 -0.26 1.92 -0.94 0.41 0.00 0.00 173.24 174.37 2jtm s SER 3 N 1.41 5.44 0.00 2.44 1.04 -1.26 -4.61 113.70 118.16 2jtm s SER 3 Ca -0.01 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2jtm s SER 3 Cb -0.19 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2jtm s SER 3 CO 0.02 -2.13 0.00 0.61 0.98 0.00 0.00 173.24 172.72 2jtm n GLY 4 N 5.62 0.00 3.72 7.32 0.00 -1.26 -5.05 105.19 115.54 2jtm n GLY 4 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.64 4.45 -0.45 1.61 0.00 -1.26 -5.00 119.74 117.45 2jtm s LYS 5 Ca 0.00 1.84 0.01 0.00 0.00 0.00 0.00 55.97 57.82 2jtm s LYS 5 Cb 0.00 -3.29 0.12 0.00 0.00 0.00 0.00 37.83 34.66 2jtm s LYS 5 CO 0.00 -0.20 0.21 -1.59 0.00 0.00 0.00 175.35 173.78 2jtm s LYS 6 N 0.49 1.94 0.29 1.78 -2.85 -1.26 -5.09 119.74 115.04 2jtm s LYS 6 Ca 0.57 -2.14 -0.25 0.00 -1.00 0.00 0.00 55.97 53.15 2jtm s LYS 6 Cb -0.32 -3.44 -0.09 0.00 -2.06 0.00 0.00 37.83 31.92 2jtm s LYS 6 CO 0.32 -1.06 0.89 -1.25 0.10 0.00 0.00 175.35 174.36 2jtm s PRO 7 N 0.55 4.55 -0.14 1.78 0.04 -1.26 -4.81 135.00 135.70 2jtm s PRO 7 Ca 0.12 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 2jtm s PRO 7 Cb -0.22 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 2jtm s PRO 7 CO -0.04 0.35 0.09 0.54 0.04 0.00 0.00 177.00 177.98 2jtm s VAL 8 N -1.52 5.11 -0.37 -0.36 0.11 -0.14 -4.68 120.40 118.54 2jtm s VAL 8 Ca 0.47 0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 59.30 2jtm s VAL 8 Cb -0.19 -3.25 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 2jtm s VAL 8 CO 0.24 0.55 1.67 -0.75 -3.33 0.00 0.00 175.10 173.48 2jtm s LYS 9 N -0.41 3.38 0.05 1.54 2.20 -1.26 -0.89 119.74 124.35 2jtm s LYS 9 Ca 0.10 1.21 0.06 0.00 -0.36 0.00 0.00 55.97 56.99 2jtm s LYS 9 Cb -0.12 -4.15 -0.02 0.00 -1.51 0.00 0.00 37.83 32.03 2jtm s LYS 9 CO 0.02 -1.81 -0.17 0.54 -0.36 0.00 0.00 175.35 173.57 2jtm s VAL 10 N 6.52 1.36 -0.10 4.02 0.11 0.49 -4.90 120.40 127.89 2jtm s VAL 10 Ca 0.73 -1.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.36 2jtm s VAL 10 Cb -0.19 -1.21 -0.02 0.00 -1.53 0.00 0.00 36.38 33.43 2jtm s VAL 10 CO 0.33 0.06 1.10 -0.54 -3.33 0.00 0.00 175.10 172.71 2jtm s LYS 11 N -1.24 4.37 0.65 1.54 1.02 -1.26 -0.69 119.74 124.13 2jtm s LYS 11 Ca 0.04 1.51 -0.10 0.00 0.02 0.00 0.00 55.97 57.44 2jtm s LYS 11 Cb -0.08 -3.57 -0.00 0.00 -0.52 0.00 0.00 37.83 33.65 2jtm s LYS 11 CO 0.02 -0.42 1.02 0.95 -0.92 0.00 0.00 175.35 176.00 2jtm s THR 12 N 2.30 3.92 -1.29 2.17 -4.23 0.62 -4.93 115.64 114.20 2jtm s THR 12 Ca 0.51 0.48 0.16 0.00 -1.18 0.00 0.00 61.69 61.65 2jtm s THR 12 Cb -0.20 -3.60 0.23 0.00 1.34 0.00 0.00 72.50 70.27 2jtm s THR 12 CO 0.18 -0.75 1.47 -2.65 -0.54 0.00 0.00 174.62 172.33 2jtm n PRO 13 N -2.82 0.15 0.02 3.99 -0.02 -1.26 -1.72 135.00 133.35 2jtm n PRO 13 Ca 0.06 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 2jtm n PRO 13 Cb 0.56 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.41 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 2.68 0.54 0.00 3.55 0.00 -2.02 -3.49 119.26 120.53 2jtm h ALA 14 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 2jtm h ALA 14 Cb 0.19 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jtm h ALA 14 CO 0.00 1.39 0.00 0.41 0.00 0.00 0.00 179.25 181.05 2jtm n GLY 15 N 1.59 4.28 3.75 0.00 0.00 -0.70 -5.13 105.19 108.98 2jtm n GLY 15 Ca -0.15 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 1.57 -0.13 1.61 -2.85 -1.26 -4.60 119.74 114.08 2jtm s LYS 16 Ca 0.00 0.76 0.01 0.00 -1.00 0.00 0.00 55.97 55.74 2jtm s LYS 16 Cb 0.00 -1.85 -0.01 0.00 -2.06 0.00 0.00 37.83 33.91 2jtm s LYS 16 CO 0.00 -2.01 -0.16 -1.21 0.10 0.00 0.00 175.35 172.07 2jtm s GLU 17 N -5.02 3.28 0.01 1.78 2.02 -1.26 -0.27 118.70 119.24 2jtm s GLU 17 Ca 0.62 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 2jtm s GLU 17 Cb -0.17 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 2jtm s GLU 17 CO 0.56 0.17 0.03 0.00 0.02 0.00 0.00 175.26 176.04 2jtm s ALA 18 N 0.42 -0.05 -0.60 5.21 0.00 0.13 -4.91 121.76 121.97 2jtm s ALA 18 Ca -0.12 -0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.27 2jtm s ALA 18 Cb -0.16 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.07 2jtm s ALA 18 CO 0.06 -0.14 1.18 -1.21 0.00 0.00 0.00 175.76 175.65 2jtm s GLU 19 N -1.07 3.46 -0.05 0.00 8.01 -1.26 -0.38 118.70 127.40 2jtm s GLU 19 Ca -0.12 0.14 0.05 0.00 0.01 0.00 0.00 54.97 55.05 2jtm s GLU 19 Cb -0.07 -4.04 -0.02 0.00 -4.31 0.00 0.00 34.13 25.69 2jtm s GLU 19 CO -0.00 -1.73 -0.19 -0.51 0.01 0.00 0.00 175.26 172.84 2jtm s LEU 20 N 4.98 2.45 -0.24 1.80 1.43 -0.06 -4.77 118.68 124.26 2jtm s LEU 20 Ca 0.41 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 2jtm s LEU 20 Cb -0.08 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2jtm s LEU 20 CO 0.23 0.30 0.46 0.54 0.23 0.00 0.00 176.35 178.12 2jtm s VAL 21 N -0.49 5.13 0.49 -1.59 0.11 -1.26 -0.97 120.40 121.82 2jtm s VAL 21 Ca 0.06 0.79 -0.22 0.00 -2.93 0.00 0.00 61.98 59.68 2jtm s VAL 21 Cb -0.12 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 30.89 2jtm s VAL 21 CO 0.01 0.16 1.23 -2.16 -3.33 0.00 0.00 175.10 171.01 2jtm s PRO 22 N 1.89 3.56 0.08 1.54 0.04 -1.26 -4.85 135.00 135.99 2jtm s PRO 22 Ca 0.20 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.97 2jtm s PRO 22 Cb -0.15 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 2jtm s PRO 22 CO 0.09 -0.76 1.48 0.93 0.04 0.00 0.00 177.00 178.79 2jtm h GLU 23 N 1.85 0.43 -3.18 4.56 4.39 -0.81 -3.46 114.58 118.36 2jtm h GLU 23 Ca -0.50 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 58.94 2jtm h GLU 23 Cb 1.26 -0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 29.70 2jtm h GLU 23 CO 0.59 0.65 -0.27 -1.59 -1.16 0.00 0.00 179.01 177.23 2jtm s LYS 24 N -4.84 0.74 0.07 2.33 -2.85 -1.25 -5.02 119.74 108.92 2jtm s LYS 24 Ca -0.14 -0.36 0.04 0.00 -1.00 0.00 0.00 55.97 54.51 2jtm s LYS 24 Cb 0.07 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2jtm s LYS 24 CO 0.75 -0.22 -0.11 0.14 0.10 0.00 0.00 175.35 176.00 2jtm s VAL 25 N -1.97 0.91 0.12 1.79 -7.23 -1.26 -1.25 120.40 111.51 2jtm s VAL 25 Ca -0.09 -1.31 -0.10 0.00 -1.81 0.00 0.00 61.98 58.66 2jtm s VAL 25 Cb -0.03 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.92 2jtm s VAL 25 CO 0.00 -0.34 0.26 -1.66 -0.31 0.00 0.00 175.10 173.06 2jtm s TRP 26 N -1.55 0.13 -0.01 2.82 -2.14 -0.22 -5.01 118.94 112.95 2jtm s TRP 26 Ca -0.03 -0.52 0.01 0.00 2.66 0.00 0.00 56.10 58.22 2jtm s TRP 26 Cb -0.08 0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.31 2jtm s TRP 26 CO 0.01 -0.63 -0.04 0.00 -2.66 0.00 0.00 176.95 173.64 2jtm s ALA 27 N -3.88 0.39 -0.23 2.67 0.00 -1.26 -0.58 121.76 118.88 2jtm s ALA 27 Ca 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 2jtm s ALA 27 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2jtm s ALA 27 CO -0.08 0.06 0.01 -0.51 0.00 0.00 0.00 175.76 175.23 2jtm s LEU 28 N 0.18 3.13 -0.49 0.00 1.02 0.79 -4.86 118.68 118.45 2jtm s LEU 28 Ca -0.02 -0.31 0.04 0.00 0.02 0.00 0.00 54.13 53.86 2jtm s LEU 28 Cb -0.05 -1.82 0.13 0.00 0.02 0.00 0.00 46.19 44.47 2jtm s LEU 28 CO -0.00 -0.03 0.24 0.00 0.02 0.00 0.00 176.35 176.58 2jtm s ALA 29 N 1.54 3.14 -0.55 4.21 0.00 -1.26 -0.13 121.76 128.70 2jtm s ALA 29 Ca 0.06 -3.13 -0.28 0.00 0.00 0.00 0.00 51.96 48.61 2jtm s ALA 29 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.88 2jtm s ALA 29 CO -0.00 -1.99 1.41 -2.14 0.00 0.00 0.00 175.76 173.04 2jtm s PRO 30 N -0.11 3.33 0.00 0.00 0.02 -1.26 -4.55 135.00 132.42 2jtm s PRO 30 Ca 0.16 0.50 0.00 0.00 0.02 0.00 0.00 61.00 61.68 2jtm s PRO 30 Cb -0.25 -4.11 0.00 0.00 0.02 0.00 0.00 34.50 30.15 2jtm s PRO 30 CO -0.01 -1.90 0.00 1.17 -0.33 0.00 0.00 177.00 175.93 2jtm n LYS 31 N 8.60 0.00 -3.32 5.54 3.00 -1.26 -4.29 118.16 126.44 2jtm n LYS 31 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.40 2jtm n LYS 31 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.47 2jtm n LYS 31 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2jtm s GLY 32 N 0.00 -0.64 0.21 3.14 0.00 -1.26 -5.15 107.32 103.62 2jtm s GLY 32 Ca 0.00 1.39 -0.22 0.00 0.00 0.00 0.00 44.72 45.89 2jtm s GLY 32 CO 0.00 2.92 0.64 -1.60 0.00 0.00 0.00 173.10 175.07 2jtm s ARG 33 N 2.69 1.47 0.00 2.90 6.06 -1.26 -5.00 118.95 125.80 2jtm s ARG 33 Ca 0.13 -0.67 0.28 0.00 -2.50 0.00 0.00 55.73 52.98 2jtm s ARG 33 Cb -0.15 0.60 1.21 0.00 0.06 0.00 0.00 34.95 36.67 2jtm s ARG 33 CO -0.18 -0.66 1.90 1.17 -2.50 0.00 0.00 175.30 175.04 2jtm n LYS 34 N -0.41 0.02 0.00 5.12 3.00 -1.26 -4.94 118.16 119.69 2jtm n LYS 34 Ca -0.12 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2jtm n LYS 34 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.16 2jtm n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jtm n GLY 35 N 1.39 0.69 3.61 3.14 0.00 -1.26 -4.96 105.19 107.80 2jtm n GLY 35 Ca 0.07 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2jtm n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jtm s VAL 36 N 0.00 4.05 -0.14 1.61 1.01 0.81 -4.67 120.40 123.08 2jtm s VAL 36 Ca 0.00 1.13 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 2jtm s VAL 36 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2jtm s VAL 36 CO 0.00 -0.65 0.17 -0.54 0.00 0.00 0.00 175.10 174.08 2jtm s LYS 37 N 4.51 3.76 -0.02 2.72 1.02 -1.26 -0.15 119.74 130.33 2jtm s LYS 37 Ca 0.57 -0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.50 2jtm s LYS 37 Cb -0.14 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2jtm s LYS 37 CO 0.28 0.59 -0.09 0.42 -0.92 0.00 0.00 175.35 175.63 2jtm s ILE 38 N -0.51 0.78 0.06 2.17 1.01 0.26 0.43 121.20 125.39 2jtm s ILE 38 Ca 0.14 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.49 2jtm s ILE 38 Cb -0.12 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 2jtm s ILE 38 CO 0.03 0.24 -0.20 -0.83 0.00 0.00 0.00 174.94 174.18 2jtm s GLY 39 N 0.10 1.09 -0.23 6.18 0.00 -0.04 -1.06 107.32 113.36 2jtm s GLY 39 Ca -0.02 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.50 2jtm s GLY 39 CO 0.00 -1.02 0.31 -2.27 0.00 0.00 0.00 173.10 170.12 2jtm s LEU 40 N -1.37 4.11 0.46 0.66 2.96 -0.38 -0.79 118.68 124.32 2jtm s LEU 40 Ca 0.06 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 2jtm s LEU 40 Cb -0.09 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 2jtm s LEU 40 CO 0.02 -0.06 0.01 -0.36 -1.32 0.00 0.00 176.35 174.65 2jtm s PHE 41 N 1.44 2.19 -0.06 5.38 0.08 0.13 -0.02 117.98 127.12 2jtm s PHE 41 Ca 0.14 -0.81 0.01 0.00 0.12 0.00 0.00 56.93 56.39 2jtm s PHE 41 Cb -0.15 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 2jtm s PHE 41 CO 0.08 0.33 -0.06 0.21 -0.10 0.00 0.00 175.22 175.67 2jtm s LYS 42 N -3.80 1.12 -0.32 0.44 2.20 -1.26 -0.43 119.74 117.68 2jtm s LYS 42 Ca 0.21 -0.18 -0.23 0.00 -0.36 0.00 0.00 55.97 55.40 2jtm s LYS 42 Cb 0.06 -1.09 0.00 0.00 -1.51 0.00 0.00 37.83 35.29 2jtm s LYS 42 CO 0.11 -0.10 0.78 0.34 -0.36 0.00 0.00 175.35 176.12 2jtm s ASP 43 N 1.05 6.62 0.00 1.43 2.15 -0.09 -4.92 116.67 122.92 2jtm s ASP 43 Ca -0.08 0.56 0.18 0.00 0.43 0.00 0.00 52.55 53.64 2jtm s ASP 43 Cb -0.14 -2.40 0.82 0.00 -0.30 0.00 0.00 42.92 40.89 2jtm s ASP 43 CO -0.00 -0.65 1.57 -2.65 -0.17 0.00 0.00 175.17 173.27 2jtm n PRO 44 N 6.26 0.08 -0.09 4.34 -0.02 -1.26 0.01 135.00 144.33 2jtm n PRO 44 Ca 0.03 0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.53 2jtm n PRO 44 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.38 2jtm n PRO 44 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jtm h GLU 45 N 0.00 0.00 0.01 -0.52 4.81 -1.96 -3.39 114.58 113.53 2jtm h GLU 45 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2jtm h GLU 45 Cb 0.27 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2jtm h GLU 45 CO 0.00 0.64 -1.35 1.79 -0.73 0.00 0.00 179.01 179.36 2jtm h THR 46 N -1.00 1.29 0.00 0.32 1.35 -1.98 -3.48 112.91 109.41 2jtm h THR 46 Ca -0.21 -3.05 0.00 0.00 -0.55 0.00 0.00 66.41 62.59 2jtm h THR 46 Cb 0.99 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 2jtm h THR 46 CO -0.13 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 2jtm n GLY 47 N 1.47 0.74 3.33 5.82 0.00 0.10 -5.06 105.19 111.60 2jtm n GLY 47 Ca -0.09 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.03 1.26 -0.02 1.61 -2.85 -1.21 -4.92 119.74 110.59 2jtm s LYS 48 Ca 0.00 -1.31 -0.19 0.00 -1.00 0.00 0.00 55.97 53.47 2jtm s LYS 48 Cb 0.00 -1.52 -0.05 0.00 -2.06 0.00 0.00 37.83 34.20 2jtm s LYS 48 CO 0.00 0.34 0.54 0.71 0.10 0.00 0.00 175.35 177.04 2jtm s TYR 49 N -1.46 3.67 -0.00 1.78 1.51 -1.26 -0.91 117.35 120.68 2jtm s TYR 49 Ca 0.12 1.12 0.01 0.00 -1.01 0.00 0.00 57.07 57.31 2jtm s TYR 49 Cb -0.09 -2.53 -0.00 0.00 -0.11 0.00 0.00 41.96 39.23 2jtm s TYR 49 CO 0.06 0.40 -0.04 -0.59 -1.11 0.00 0.00 175.55 174.27 2jtm s PHE 50 N -0.30 0.34 -0.20 2.71 -0.71 0.43 -4.94 117.98 115.30 2jtm s PHE 50 Ca 0.29 -0.06 -0.11 0.00 -1.04 0.00 0.00 56.93 56.00 2jtm s PHE 50 Cb -0.18 -0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 41.36 2jtm s PHE 50 CO 0.15 -0.01 0.16 -0.98 -1.34 0.00 0.00 175.22 173.21 2jtm s ARG 51 N -0.07 4.19 0.04 1.99 1.70 -1.26 0.21 118.95 125.75 2jtm s ARG 51 Ca 0.01 -0.17 0.03 0.00 -0.47 0.00 0.00 55.73 55.13 2jtm s ARG 51 Cb -0.02 -3.43 -0.02 0.00 -0.57 0.00 0.00 34.95 30.91 2jtm s ARG 51 CO -0.00 0.27 -0.09 -1.58 -1.08 0.00 0.00 175.30 172.82 2jtm s HIS 52 N 0.44 0.79 0.35 5.89 2.46 0.03 -4.93 115.29 120.32 2jtm s HIS 52 Ca 0.09 -0.40 -0.28 0.00 0.47 0.00 0.00 55.06 54.95 2jtm s HIS 52 Cb -0.12 -0.47 -0.10 0.00 -0.13 0.00 0.00 32.58 31.76 2jtm s HIS 52 CO -0.01 -0.03 1.30 0.21 -2.47 0.00 0.00 174.74 173.74 2jtm s LYS 53 N -1.26 4.26 0.46 2.88 2.20 -1.26 -0.86 119.74 126.16 2jtm s LYS 53 Ca -0.05 2.18 0.08 0.00 -0.36 0.00 0.00 55.97 57.83 2jtm s LYS 53 Cb -0.08 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.28 2jtm s LYS 53 CO 0.01 -0.26 0.59 -0.51 -0.36 0.00 0.00 175.35 174.81 2jtm s LEU 54 N -1.97 3.44 0.32 5.43 1.43 0.17 -4.85 118.68 122.65 2jtm s LEU 54 Ca 0.51 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 2jtm s LEU 54 Cb -0.39 -2.26 -0.10 0.00 0.03 0.00 0.00 46.19 43.47 2jtm s LEU 54 CO 0.51 -0.90 1.31 -2.84 0.23 0.00 0.00 176.35 174.66 2jtm s PRO 55 N -4.39 4.36 0.51 1.29 0.02 -1.26 -4.50 135.00 131.03 2jtm s PRO 55 Ca 0.55 2.20 0.16 0.00 0.02 0.00 0.00 61.00 63.93 2jtm s PRO 55 Cb -0.08 -3.08 1.24 0.00 0.02 0.00 0.00 34.50 32.60 2jtm s PRO 55 CO 0.33 -0.19 2.12 -0.44 -0.33 0.00 0.00 177.00 178.50 2jtm h ASP 56 N 3.56 0.05 0.07 2.53 5.19 -1.92 -0.61 116.42 125.28 2jtm h ASP 56 Ca -0.49 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2jtm h ASP 56 Cb 1.22 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2jtm h ASP 56 CO 0.67 0.04 -0.03 -0.67 -3.12 0.00 0.00 179.24 176.12 2jtm n ASP 57 N -4.52 0.88 -4.69 6.45 2.03 -1.26 -4.78 116.55 110.65 2jtm n ASP 57 Ca -0.01 -1.17 -0.42 0.00 0.52 0.00 0.00 54.79 53.71 2jtm n ASP 57 Cb 0.14 -0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.11 3.24 -0.15 -0.67 5.04 -0.24 -4.97 117.35 117.49 2jtm s TYR 58 Ca 0.38 1.21 -0.29 0.00 -2.44 0.00 0.00 57.07 55.93 2jtm s TYR 58 Cb 0.21 -3.44 -0.01 0.00 0.35 0.00 0.00 41.96 39.07 2jtm s TYR 58 CO 0.38 -1.38 1.22 -1.25 -1.34 0.00 0.00 175.55 173.18 2jtm s PRO 59 N 1.89 4.26 0.00 4.97 0.04 -1.26 -4.96 135.00 139.93 2jtm s PRO 59 Ca 0.57 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2jtm s PRO 59 Cb -0.27 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2jtm s PRO 59 CO 0.24 -0.65 0.46 0.44 0.04 0.00 0.00 177.00 177.53