#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r43 s GLN 2 N 0.00 3.29 -0.19 0.54 0.74 -1.26 -5.11 119.66 117.66 2r43 s GLN 2 Ca 0.00 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.72 2r43 s GLN 2 Cb 0.00 -2.81 0.02 0.00 1.10 0.00 0.00 33.01 31.32 2r43 s GLN 2 CO 0.00 -0.10 -0.17 0.42 -0.55 0.00 0.00 175.29 174.90 2r43 s ILE 3 N 1.15 2.29 0.80 -2.34 1.01 -1.26 -5.11 121.20 117.74 2r43 s ILE 3 Ca 0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 2r43 s ILE 3 Cb -0.14 -2.01 0.08 0.00 0.01 0.00 0.00 42.46 40.39 2r43 s ILE 3 CO -0.03 0.47 1.17 0.42 0.00 0.00 0.00 174.94 176.96 2r43 s THR 4 N 1.30 2.06 -0.13 2.92 -4.23 -1.26 -5.04 115.64 111.26 2r43 s THR 4 Ca 0.04 -0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.71 2r43 s THR 4 Cb -0.14 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 70.99 2r43 s THR 4 CO -0.11 -0.02 1.15 0.18 -0.54 0.00 0.00 174.62 175.29 2r43 n LEU 5 N -3.29 2.22 0.24 4.79 4.77 -1.26 -4.64 117.00 119.84 2r43 n LEU 5 Ca 0.08 -3.08 0.10 0.00 -0.03 0.00 0.00 56.01 53.08 2r43 n LEU 5 Cb 0.61 -0.41 0.63 0.00 -2.33 0.00 0.00 43.42 41.91 2r43 n LEU 5 CO 0.57 0.81 0.92 -0.50 -1.33 0.00 0.00 177.39 177.85 2r43 h TRP 6 N 0.21 0.00 -2.34 -1.77 4.06 -2.06 -3.43 115.95 110.62 2r43 h TRP 6 Ca -0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.40 2r43 h TRP 6 Cb 1.05 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.07 2r43 h TRP 6 CO 0.16 0.17 -0.64 -0.65 -3.56 0.00 0.00 178.44 173.91 2r43 s GLN 7 N -4.21 1.72 0.25 0.49 -0.21 -1.26 -5.11 119.66 111.33 2r43 s GLN 7 Ca -0.03 -1.92 -0.31 0.00 0.02 0.00 0.00 55.36 53.12 2r43 s GLN 7 Cb 0.13 -1.29 -0.12 0.00 1.00 0.00 0.00 33.01 32.73 2r43 s GLN 7 CO 0.62 -0.02 1.59 0.54 -2.12 0.00 0.00 175.29 175.90 2r43 n ARG 8 N -0.73 2.53 -1.75 2.91 1.74 -1.26 -4.85 116.66 115.24 2r43 n ARG 8 Ca -0.04 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 2r43 n ARG 8 Cb 0.65 -2.68 -0.02 0.00 -1.02 0.00 0.00 32.46 29.39 2r43 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2r43 n PRO 9 N 2.70 2.46 -3.17 5.56 -0.04 -1.26 -4.93 135.00 136.32 2r43 n PRO 9 Ca 0.12 -2.51 -0.39 0.00 -0.04 0.00 0.00 63.50 60.68 2r43 n PRO 9 Cb 0.34 -3.26 -0.05 0.00 -0.04 0.00 0.00 33.50 30.48 2r43 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r43 s LEU 10 N 2.99 4.39 0.21 1.53 1.43 -1.26 -1.66 118.68 126.31 2r43 s LEU 10 Ca 0.53 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 2r43 s LEU 10 Cb 0.11 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.33 2r43 s LEU 10 CO 0.01 0.05 0.05 0.68 0.23 0.00 0.00 176.35 177.37 2r43 s VAL 11 N 0.08 0.59 -0.02 -1.59 -7.23 0.20 -4.96 120.40 107.48 2r43 s VAL 11 Ca 0.32 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 2r43 s VAL 11 Cb -0.18 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 2r43 s VAL 11 CO 0.17 -0.24 0.48 -0.89 -0.31 0.00 0.00 175.10 174.31 2r43 s THR 12 N -3.72 4.99 0.28 5.32 2.01 -1.26 -0.90 115.64 122.36 2r43 s THR 12 Ca 0.31 0.99 0.11 0.00 0.31 0.00 0.00 61.69 63.41 2r43 s THR 12 Cb 0.07 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2r43 s THR 12 CO 0.09 0.49 -0.17 0.27 -0.69 0.00 0.00 174.62 174.61 2r43 s ILE 13 N -0.55 2.28 -0.09 1.82 -4.36 0.33 -1.29 121.20 119.35 2r43 s ILE 13 Ca 0.26 -2.34 0.02 0.00 -0.26 0.00 0.00 60.65 58.33 2r43 s ILE 13 Cb -0.17 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.25 2r43 s ILE 13 CO 0.14 -0.40 -0.13 -0.75 0.24 0.00 0.00 174.94 174.03 2r43 s LYS 14 N -3.56 1.93 -0.12 0.37 2.20 0.21 -1.34 119.74 119.44 2r43 s LYS 14 Ca 0.29 -0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 55.35 2r43 s LYS 14 Cb -0.03 -1.65 0.04 0.00 -1.51 0.00 0.00 37.83 34.69 2r43 s LYS 14 CO 0.14 -0.03 0.30 -1.50 -0.36 0.00 0.00 175.35 173.89 2r43 s ILE 15 N 0.89 -0.02 -1.67 5.43 2.07 -0.43 -1.27 121.20 126.20 2r43 s ILE 15 Ca -0.10 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 2r43 s ILE 15 Cb -0.15 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2r43 s ILE 15 CO 0.01 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 2r43 n GLY 16 N 3.61 -0.23 2.99 1.50 0.00 -1.26 -1.33 105.19 110.46 2r43 n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2r43 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r43 n GLY 17 N -0.90 0.70 3.66 -0.02 0.00 -1.26 -5.01 105.19 102.36 2r43 n GLY 17 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2r43 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2r43 s GLN 18 N -0.27 3.21 0.05 1.61 -2.07 -0.45 -5.10 119.66 116.66 2r43 s GLN 18 Ca 0.00 -0.40 -0.24 0.00 -1.82 0.00 0.00 55.36 52.90 2r43 s GLN 18 Cb 0.00 -2.88 -0.06 0.00 -1.09 0.00 0.00 33.01 28.98 2r43 s GLN 18 CO 0.00 0.60 0.74 -0.51 -1.32 0.00 0.00 175.29 174.79 2r43 s LEU 19 N -0.59 4.47 0.06 2.60 1.43 -1.26 -1.31 118.68 124.08 2r43 s LEU 19 Ca 0.10 1.43 -0.00 0.00 -1.03 0.00 0.00 54.13 54.62 2r43 s LEU 19 Cb -0.12 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2r43 s LEU 19 CO 0.02 0.06 -0.04 -0.54 0.23 0.00 0.00 176.35 176.08 2r43 s LYS 20 N -0.26 0.64 -0.12 1.70 1.02 -0.45 -4.99 119.74 117.27 2r43 s LYS 20 Ca 0.37 -1.18 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 2r43 s LYS 20 Cb -0.20 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 2r43 s LYS 20 CO 0.22 -0.08 0.43 -2.00 -0.92 0.00 0.00 175.35 173.01 2r43 s GLU 21 N -3.61 4.31 0.04 1.68 2.12 -1.26 -0.51 118.70 121.47 2r43 s GLU 21 Ca 0.06 0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.75 2r43 s GLU 21 Cb 0.05 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2r43 s GLU 21 CO -0.08 0.19 -0.04 0.00 -0.54 0.00 0.00 175.26 174.80 2r43 s ALA 22 N 0.53 0.44 -0.17 6.30 0.00 -0.07 -4.43 121.76 124.36 2r43 s ALA 22 Ca 0.24 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 2r43 s ALA 22 Cb -0.15 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2r43 s ALA 22 CO 0.09 -0.25 0.31 -1.17 0.00 0.00 0.00 175.76 174.74 2r43 s LEU 23 N -2.32 4.23 -0.46 0.00 2.96 0.56 -0.63 118.68 123.01 2r43 s LEU 23 Ca -0.02 0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 2r43 s LEU 23 Cb 0.00 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.31 2r43 s LEU 23 CO -0.05 0.07 1.27 -0.76 -1.32 0.00 0.00 176.35 175.55 2r43 s LEU 24 N 0.59 3.60 -0.30 -0.68 1.43 -0.66 -1.02 118.68 121.64 2r43 s LEU 24 Ca 0.17 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 2r43 s LEU 24 Cb -0.13 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.65 2r43 s LEU 24 CO 0.05 -1.35 0.04 -0.62 0.23 0.00 0.00 176.35 174.69 2r43 s ASP 25 N 3.17 4.25 0.00 2.29 -1.08 -0.34 -4.80 116.67 120.16 2r43 s ASP 25 Ca 0.54 -1.69 0.24 0.00 -0.52 0.00 0.00 52.55 51.11 2r43 s ASP 25 Cb -0.10 -1.24 1.02 0.00 -1.46 0.00 0.00 42.92 41.14 2r43 s ASP 25 CO 0.32 -0.35 1.76 0.35 0.52 0.00 0.00 175.17 177.77 2r43 n THR 26 N 4.57 0.37 0.17 1.71 -2.24 -1.26 -2.38 114.28 115.22 2r43 n THR 26 Ca -0.03 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 2r43 n THR 26 Cb 0.43 -0.69 0.09 0.00 -2.10 0.00 0.00 70.33 68.06 2r43 n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2r43 h GLY 27 N 4.05 0.00 -5.77 3.38 0.00 -1.94 -3.45 103.07 99.34 2r43 h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2r43 h GLY 27 CO 0.00 0.00 0.40 0.00 0.00 0.00 0.00 176.54 176.94 2r43 s ALA 28 N -3.23 3.61 0.32 3.60 0.00 -1.00 -4.93 121.76 120.13 2r43 s ALA 28 Ca 0.04 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2r43 s ALA 28 Cb 0.07 -3.23 0.56 0.00 0.00 0.00 0.00 23.12 20.52 2r43 s ALA 28 CO 0.72 -0.83 1.81 -0.44 0.00 0.00 0.00 175.76 177.02 2r43 h ASP 29 N 7.61 0.39 -4.30 0.00 3.32 -1.87 0.37 116.42 121.94 2r43 h ASP 29 Ca -0.25 -0.11 -0.53 0.00 0.02 0.00 0.00 57.03 56.16 2r43 h ASP 29 Cb 1.11 -0.10 -0.27 0.00 0.22 0.00 0.00 39.33 40.28 2r43 h ASP 29 CO 0.85 0.58 -0.83 -1.81 -1.72 0.00 0.00 179.24 176.32 2r43 s ASP 30 N -6.82 2.04 0.09 6.45 -0.00 -1.26 -2.37 116.67 114.81 2r43 s ASP 30 Ca -0.06 -0.40 -0.31 0.00 -0.00 0.00 0.00 52.55 51.78 2r43 s ASP 30 Cb 0.15 -0.19 -0.07 0.00 -0.00 0.00 0.00 42.92 42.80 2r43 s ASP 30 CO 0.77 0.16 1.35 -0.89 -0.00 0.00 0.00 175.17 176.56 2r43 s THR 31 N -0.60 3.49 -0.05 -1.27 2.01 -1.26 -4.09 115.64 113.86 2r43 s THR 31 Ca 0.06 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.11 2r43 s THR 31 Cb -0.07 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2r43 s THR 31 CO 0.00 0.07 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.29 2r43 s VAL 32 N 1.22 0.47 0.18 3.82 1.01 -0.36 -1.18 120.40 125.57 2r43 s VAL 32 Ca 0.63 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.67 2r43 s VAL 32 Cb -0.35 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2r43 s VAL 32 CO 0.30 0.24 -0.09 -0.76 0.00 0.00 0.00 175.10 174.78 2r43 s LEU 33 N 1.29 2.98 0.76 3.92 1.43 0.60 -0.96 118.68 128.71 2r43 s LEU 33 Ca -0.05 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 2r43 s LEU 33 Cb -0.14 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.45 2r43 s LEU 33 CO -0.02 0.11 1.12 -0.62 0.23 0.00 0.00 176.35 177.17 2r43 n GLU 34 N 0.07 0.44 -1.56 1.70 1.02 -1.26 -1.69 120.64 119.35 2r43 n GLU 34 Ca -0.11 0.22 -0.57 0.00 -0.02 0.00 0.00 57.16 56.68 2r43 n GLU 34 Cb 0.55 -2.37 -0.07 0.00 -0.02 0.00 0.00 31.44 29.53 2r43 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2r43 n GLU 35 N -2.54 0.48 -3.70 3.49 4.07 -1.26 -4.70 120.64 116.48 2r43 n GLU 35 Ca 0.14 0.17 -0.05 0.00 -0.06 0.00 0.00 57.16 57.36 2r43 n GLU 35 Cb 0.50 -1.73 -0.02 0.00 -0.06 0.00 0.00 31.44 30.13 2r43 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2r43 s MET 36 N 0.63 1.20 -0.16 5.31 0.23 -1.26 -5.07 119.30 120.18 2r43 s MET 36 Ca 0.90 -0.62 -0.18 0.00 -1.03 0.00 0.00 55.69 54.76 2r43 s MET 36 Cb -1.16 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 32.54 2r43 s MET 36 CO 0.56 -0.55 0.47 -1.12 -2.03 0.00 0.00 175.02 172.35 2r43 s SER 37 N -2.84 6.59 0.11 -1.18 0.01 -1.26 -5.07 113.70 110.05 2r43 s SER 37 Ca 0.10 0.71 0.05 0.00 1.31 0.00 0.00 55.95 58.12 2r43 s SER 37 Cb -0.02 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2r43 s SER 37 CO -0.00 -0.06 -0.13 -0.76 0.41 0.00 0.00 173.24 172.69 2r43 s LEU 38 N 1.05 2.38 0.61 2.44 1.43 -1.26 -4.99 118.68 120.34 2r43 s LEU 38 Ca 0.24 -0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 2r43 s LEU 38 Cb -0.15 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 2r43 s LEU 38 CO 0.09 -0.16 1.04 -2.16 0.23 0.00 0.00 176.35 175.39 2r43 s PRO 39 N -2.54 3.38 0.46 1.29 0.04 -1.26 -4.95 135.00 131.42 2r43 s PRO 39 Ca 0.06 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2r43 s PRO 39 Cb -0.05 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2r43 s PRO 39 CO 0.02 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2r43 n GLY 40 N -1.75 -1.87 3.90 0.56 0.00 -1.26 -4.93 105.19 99.84 2r43 n GLY 40 Ca 0.07 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 2r43 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r43 s ARG 41 N 0.00 3.65 0.29 1.61 0.52 -1.26 -5.11 118.95 118.65 2r43 s ARG 41 Ca 0.00 0.05 0.10 0.00 -0.52 0.00 0.00 55.73 55.36 2r43 s ARG 41 Cb 0.00 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 2r43 s ARG 41 CO 0.00 0.21 -0.14 1.67 0.02 0.00 0.00 175.30 177.05 2r43 s TRP 42 N -2.08 2.18 0.15 -0.53 1.48 -1.26 -4.61 118.94 114.27 2r43 s TRP 42 Ca 0.45 -0.47 0.08 0.00 -1.06 0.00 0.00 56.10 55.10 2r43 s TRP 42 Cb -0.11 -1.09 -0.04 0.00 -1.16 0.00 0.00 33.47 31.08 2r43 s TRP 42 CO 0.29 0.56 -0.19 0.15 -4.06 0.00 0.00 176.95 173.71 2r43 s LYS 43 N -3.59 1.22 0.38 3.25 -0.14 -0.43 -4.92 119.74 115.50 2r43 s LYS 43 Ca 0.29 -1.33 -0.24 0.00 -1.36 0.00 0.00 55.97 53.34 2r43 s LYS 43 Cb -0.01 -1.31 -0.10 0.00 -1.68 0.00 0.00 37.83 34.73 2r43 s LYS 43 CO 0.14 0.28 0.96 -1.25 -0.76 0.00 0.00 175.35 174.71 2r43 s PRO 44 N -2.56 4.39 -0.08 -1.68 0.04 -1.26 -0.79 135.00 133.06 2r43 s PRO 44 Ca 0.13 1.26 -0.06 0.00 0.04 0.00 0.00 61.00 62.36 2r43 s PRO 44 Cb -0.07 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.99 2r43 s PRO 44 CO 0.06 0.11 0.21 0.21 0.04 0.00 0.00 177.00 177.63 2r43 s LYS 45 N -2.57 0.22 -0.15 4.56 2.47 -0.98 -4.84 119.74 118.45 2r43 s LYS 45 Ca 0.56 0.36 -0.08 0.00 -1.56 0.00 0.00 55.97 55.26 2r43 s LYS 45 Cb -0.15 0.03 -0.04 0.00 -1.46 0.00 0.00 37.83 36.21 2r43 s LYS 45 CO 0.20 -0.08 0.11 -1.64 0.16 0.00 0.00 175.35 174.10 2r43 s MET 46 N 0.52 3.71 0.08 4.03 -1.94 -1.26 -0.77 119.30 123.67 2r43 s MET 46 Ca -0.03 -0.21 0.07 0.00 -1.71 0.00 0.00 55.69 53.81 2r43 s MET 46 Cb -0.05 -3.23 -0.03 0.00 2.01 0.00 0.00 34.83 33.53 2r43 s MET 46 CO -0.03 0.55 -0.19 0.96 -0.01 0.00 0.00 175.02 176.31 2r43 s ILE 47 N -0.39 1.54 -0.14 2.53 -4.36 -0.50 -4.95 121.20 114.92 2r43 s ILE 47 Ca 0.11 -1.41 -0.02 0.00 -0.26 0.00 0.00 60.65 59.07 2r43 s ILE 47 Cb -0.12 -1.40 -0.02 0.00 1.25 0.00 0.00 42.46 42.17 2r43 s ILE 47 CO 0.01 -0.05 -0.06 -0.83 0.24 0.00 0.00 174.94 174.25 2r43 s GLY 48 N -1.72 1.67 0.00 6.27 0.00 -1.26 -0.90 107.32 111.38 2r43 s GLY 48 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2r43 s GLY 48 CO 0.03 -0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.58 2r43 n GLY 49 N 3.39 3.89 0.25 0.20 0.00 -0.22 -4.96 105.19 107.74 2r43 n GLY 49 Ca -0.18 -2.13 0.10 0.00 0.00 0.00 0.00 46.02 43.81 2r43 n GLY 49 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2r43 h VAL 50 N 0.39 0.82 -0.02 1.61 3.04 -2.04 -2.92 116.25 117.14 2r43 h VAL 50 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2r43 h VAL 50 Cb 0.00 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2r43 h VAL 50 CO 0.00 0.13 -0.38 0.61 -1.01 0.00 0.00 177.57 176.91 2r43 n GLY 51 N -0.94 0.21 0.00 3.17 0.00 -1.26 -5.07 105.19 101.29 2r43 n GLY 51 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2r43 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r43 n GLY 52 N 1.41 1.02 3.84 -0.02 0.00 -1.10 -5.10 105.19 105.24 2r43 n GLY 52 Ca 0.10 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 2r43 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r43 s PHE 53 N -1.22 3.60 0.06 1.61 0.40 -1.26 -1.05 117.98 120.12 2r43 s PHE 53 Ca 0.00 1.07 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 2r43 s PHE 53 Cb 0.00 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 2r43 s PHE 53 CO 0.00 0.42 -0.04 0.96 0.70 0.00 0.00 175.22 177.25 2r43 s ILE 54 N -1.48 0.39 -0.08 0.64 -4.36 -0.08 -4.96 121.20 111.27 2r43 s ILE 54 Ca 0.38 -1.78 -0.20 0.00 -0.26 0.00 0.00 60.65 58.80 2r43 s ILE 54 Cb -0.15 -1.47 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 2r43 s ILE 54 CO 0.19 -0.91 0.57 -0.75 0.24 0.00 0.00 174.94 174.28 2r43 s LYS 55 N -3.67 4.36 0.29 0.37 2.47 -1.26 -1.41 119.74 120.89 2r43 s LYS 55 Ca 0.07 0.63 0.03 0.00 -1.56 0.00 0.00 55.97 55.14 2r43 s LYS 55 Cb 0.05 -3.42 -0.06 0.00 -1.46 0.00 0.00 37.83 32.95 2r43 s LYS 55 CO -0.07 0.18 0.07 0.14 0.16 0.00 0.00 175.35 175.83 2r43 s VAL 56 N 0.49 0.89 -0.16 4.02 -7.23 0.05 -4.88 120.40 113.57 2r43 s VAL 56 Ca 0.30 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 2r43 s VAL 56 Cb -0.16 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 2r43 s VAL 56 CO 0.14 -0.02 0.44 -0.13 -0.31 0.00 0.00 175.10 175.22 2r43 s ARG 57 N -3.96 4.26 -0.30 4.82 0.52 -0.67 -2.32 118.95 121.30 2r43 s ARG 57 Ca 0.37 0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.80 2r43 s ARG 57 Cb 0.08 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 2r43 s ARG 57 CO 0.14 0.05 0.18 -1.14 0.02 0.00 0.00 175.30 174.55 2r43 s GLN 58 N 0.99 3.58 -0.19 3.54 0.74 0.03 -0.78 119.66 127.57 2r43 s GLN 58 Ca 0.22 -0.56 -0.04 0.00 0.05 0.00 0.00 55.36 55.03 2r43 s GLN 58 Cb -0.15 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 2r43 s GLN 58 CO 0.09 -0.33 -0.02 0.71 -0.55 0.00 0.00 175.29 175.18 2r43 s TYR 59 N 1.68 3.01 0.17 1.67 1.51 -0.57 -1.32 117.35 123.51 2r43 s TYR 59 Ca 0.06 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 2r43 s TYR 59 Cb -0.17 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2r43 s TYR 59 CO 0.08 -0.27 0.34 -0.51 -1.11 0.00 0.00 175.55 174.08 2r43 s ASP 60 N 0.98 6.37 -1.29 2.29 1.01 -1.26 -0.81 116.67 123.95 2r43 s ASP 60 Ca 0.01 0.30 -0.02 0.00 0.71 0.00 0.00 52.55 53.55 2r43 s ASP 60 Cb -0.14 -1.97 0.01 0.00 1.01 0.00 0.00 42.92 41.83 2r43 s ASP 60 CO 0.01 0.01 0.90 1.67 0.21 0.00 0.00 175.17 177.97 2r43 n GLN 61 N -0.58 -6.00 -3.79 8.23 7.27 -1.10 -4.89 117.38 116.51 2r43 n GLN 61 Ca -0.06 0.74 -0.37 0.00 0.07 0.00 0.00 57.00 57.38 2r43 n GLN 61 Cb 0.54 -5.57 -0.07 0.00 2.41 0.00 0.00 30.24 27.55 2r43 n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2r43 s ILE 62 N -3.47 5.44 -0.04 1.69 -1.09 -0.11 -4.73 121.20 118.88 2r43 s ILE 62 Ca 0.12 0.27 -0.27 0.00 -2.23 0.00 0.00 60.65 58.54 2r43 s ILE 62 Cb -0.05 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 2r43 s ILE 62 CO 0.77 0.56 0.87 -0.76 -1.23 0.00 0.00 174.94 175.15 2r43 s LEU 63 N -0.59 4.34 -0.13 2.97 2.01 -1.26 -1.39 118.68 124.62 2r43 s LEU 63 Ca 0.14 1.46 -0.11 0.00 0.01 0.00 0.00 54.13 55.63 2r43 s LEU 63 Cb -0.12 -3.38 0.04 0.00 0.01 0.00 0.00 46.19 42.74 2r43 s LEU 63 CO 0.03 -0.22 0.35 -0.51 1.01 0.00 0.00 176.35 177.00 2r43 s ILE 64 N 1.04 -0.01 -0.14 -0.59 2.07 -0.22 -4.50 121.20 118.85 2r43 s ILE 64 Ca 0.46 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.70 2r43 s ILE 64 Cb -0.19 -0.50 -0.03 0.00 0.13 0.00 0.00 42.46 41.87 2r43 s ILE 64 CO 0.23 0.01 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.55 2r43 s GLU 65 N 0.51 3.54 -0.22 3.50 2.12 -0.40 -1.25 118.70 126.51 2r43 s GLU 65 Ca -0.03 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 54.82 2r43 s GLU 65 Cb -0.04 -2.89 0.05 0.00 0.26 0.00 0.00 34.13 31.50 2r43 s GLU 65 CO -0.03 0.33 -0.09 0.42 -0.54 0.00 0.00 175.26 175.36 2r43 s ILE 66 N 0.12 1.67 -1.59 -3.70 1.01 0.30 -0.62 121.20 118.39 2r43 s ILE 66 Ca -0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 60.65 59.35 2r43 s ILE 66 Cb -0.13 -1.81 0.11 0.00 0.01 0.00 0.00 42.46 40.63 2r43 s ILE 66 CO 0.03 0.06 0.84 0.00 0.00 0.00 0.00 174.94 175.86 2r43 n GLY 68 N -1.59 2.38 3.73 0.00 0.00 -1.26 -5.02 105.19 103.43 2r43 n GLY 68 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2r43 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2r43 s HIS 69 N -2.79 3.42 0.21 1.61 4.02 -0.13 -5.08 115.29 116.56 2r43 s HIS 69 Ca 0.00 0.37 -0.29 0.00 1.02 0.00 0.00 55.06 56.16 2r43 s HIS 69 Cb 0.00 -2.19 -0.08 0.00 -1.02 0.00 0.00 32.58 29.28 2r43 s HIS 69 CO 0.00 0.28 0.92 0.15 1.02 0.00 0.00 174.74 177.10 2r43 s LYS 70 N 0.39 4.80 0.02 1.40 -0.14 -1.26 -0.54 119.74 124.41 2r43 s LYS 70 Ca 0.09 1.43 -0.05 0.00 -1.36 0.00 0.00 55.97 56.09 2r43 s LYS 70 Cb -0.11 -3.29 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 2r43 s LYS 70 CO -0.01 0.50 0.08 0.00 -0.76 0.00 0.00 175.35 175.16 2r43 s ALA 71 N -1.05 -0.10 -0.16 5.17 0.00 -0.38 -4.77 121.76 120.47 2r43 s ALA 71 Ca 0.41 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 2r43 s ALA 71 Cb -0.25 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.11 2r43 s ALA 71 CO 0.31 -0.26 0.06 0.42 0.00 0.00 0.00 175.76 176.29 2r43 s ILE 72 N -2.05 0.20 0.00 0.00 1.01 -1.25 -1.05 121.20 118.05 2r43 s ILE 72 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2r43 s ILE 72 Cb -0.05 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2r43 s ILE 72 CO -0.02 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.35 2r43 n GLY 73 N 5.18 1.14 3.73 6.18 0.00 -0.49 -4.80 105.19 116.12 2r43 n GLY 73 Ca -0.08 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2r43 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r43 s THR 74 N -2.30 4.11 -0.10 2.61 2.01 -1.26 -0.93 115.64 119.78 2r43 s THR 74 Ca 0.00 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.72 2r43 s THR 74 Cb 0.00 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2r43 s THR 74 CO 0.00 0.24 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.34 2r43 s VAL 75 N 0.20 1.36 0.12 3.82 1.01 0.01 -4.61 120.40 122.31 2r43 s VAL 75 Ca 0.51 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2r43 s VAL 75 Cb -0.28 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2r43 s VAL 75 CO 0.32 0.41 0.37 -0.76 0.00 0.00 0.00 175.10 175.44 2r43 s LEU 76 N 0.98 4.29 -0.09 3.92 1.43 -0.32 -1.51 118.68 127.39 2r43 s LEU 76 Ca -0.07 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 2r43 s LEU 76 Cb -0.15 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.88 2r43 s LEU 76 CO -0.01 0.09 -0.14 -0.69 0.23 0.00 0.00 176.35 175.83 2r43 s VAL 77 N -1.59 1.36 -0.42 -1.59 1.01 0.04 -0.29 120.40 118.92 2r43 s VAL 77 Ca 0.39 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2r43 s VAL 77 Cb -0.12 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2r43 s VAL 77 CO 0.23 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2r43 n GLY 78 N 4.01 -1.25 3.32 4.51 0.00 -0.68 -1.67 105.19 113.43 2r43 n GLY 78 Ca -0.20 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 2r43 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2r43 n PRO 79 N -0.03 3.12 -3.50 1.61 -0.04 -1.26 -3.99 135.00 130.91 2r43 n PRO 79 Ca 0.00 -3.12 -0.35 0.00 -0.04 0.00 0.00 63.50 59.99 2r43 n PRO 79 Cb 0.00 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.00 2r43 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2r43 s THR 80 N 3.72 5.01 0.46 0.52 -1.32 -1.26 -5.00 115.64 117.76 2r43 s THR 80 Ca 0.51 0.61 0.14 0.00 -1.21 0.00 0.00 61.69 61.73 2r43 s THR 80 Cb 0.07 -3.68 0.30 0.00 -1.51 0.00 0.00 72.50 67.68 2r43 s THR 80 CO 0.03 0.29 2.04 1.55 -2.21 0.00 0.00 174.62 176.32 2r43 h PRO 81 N 3.73 0.30 -3.01 7.08 0.13 -1.97 -3.44 132.00 134.81 2r43 h PRO 81 Ca -0.49 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2r43 h PRO 81 Cb 1.19 -0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.09 2r43 h PRO 81 CO 0.66 0.20 -0.09 0.54 -0.23 0.00 0.00 178.00 179.07 2r43 s VAL 82 N -5.31 0.05 0.23 1.56 0.11 -1.26 -5.13 120.40 110.66 2r43 s VAL 82 Ca -0.07 -0.44 -0.32 0.00 -2.93 0.00 0.00 61.98 58.22 2r43 s VAL 82 Cb 0.18 -0.95 -0.12 0.00 -1.53 0.00 0.00 36.38 33.96 2r43 s VAL 82 CO 0.72 -0.24 1.67 0.59 -3.33 0.00 0.00 175.10 174.51 2r43 n ASN 83 N 0.50 3.86 -4.06 3.54 3.02 -1.26 -4.79 115.26 116.06 2r43 n ASN 83 Ca -0.18 1.09 -0.28 0.00 -0.03 0.00 0.00 54.58 55.17 2r43 n ASN 83 Cb 0.60 -1.56 -0.17 0.00 -0.61 0.00 0.00 39.78 38.04 2r43 n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2r43 s ILE 84 N 0.82 1.46 -0.38 2.41 1.01 -0.13 -0.33 121.20 126.05 2r43 s ILE 84 Ca 0.72 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 2r43 s ILE 84 Cb -0.52 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 40.63 2r43 s ILE 84 CO 0.37 0.43 0.40 -0.63 0.00 0.00 0.00 174.94 175.52 2r43 s ILE 85 N 0.87 5.12 0.42 2.92 -1.09 -0.19 -1.22 121.20 128.03 2r43 s ILE 85 Ca -0.09 -0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 2r43 s ILE 85 Cb -0.15 -3.93 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 2r43 s ILE 85 CO 0.01 -0.26 0.57 0.61 -1.23 0.00 0.00 174.94 174.64 2r43 n GLY 86 N 5.02 1.83 0.25 6.18 0.00 -1.26 -1.19 105.19 116.02 2r43 n GLY 86 Ca -0.08 -2.18 0.09 0.00 0.00 0.00 0.00 46.02 43.85 2r43 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r43 h ARG 87 N 0.00 0.00 -0.59 1.61 3.08 -0.83 -1.50 114.38 116.15 2r43 h ARG 87 Ca -0.19 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.89 2r43 h ARG 87 Cb 0.87 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 2r43 h ARG 87 CO 0.27 0.09 0.39 -2.95 -1.07 0.00 0.00 179.97 176.70 2r43 h ASN 88 N 0.00 0.58 0.09 7.04 -1.07 -1.74 -1.41 115.58 119.07 2r43 h ASN 88 Ca -0.00 -0.01 -0.24 0.00 0.07 0.00 0.00 56.30 56.12 2r43 h ASN 88 Cb 0.18 -0.13 -0.05 0.00 -2.07 0.00 0.00 38.32 36.25 2r43 h ASN 88 CO 0.01 0.40 -2.16 0.18 0.07 0.00 0.00 177.43 175.93 2r43 n LEU 89 N -4.47 0.11 -0.11 6.14 4.77 -0.84 -3.95 117.00 118.66 2r43 n LEU 89 Ca 0.07 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2r43 n LEU 89 Cb 0.16 0.31 0.28 0.00 -2.33 0.00 0.00 43.42 41.83 2r43 n LEU 89 CO 0.35 0.32 1.11 -0.07 -1.33 0.00 0.00 177.39 177.76 2r43 h LEU 90 N 0.00 0.69 -0.86 2.23 3.38 -1.11 -2.20 115.31 117.44 2r43 h LEU 90 Ca -0.35 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 2r43 h LEU 90 Cb 1.83 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 2r43 h LEU 90 CO 0.02 0.58 0.18 0.71 0.09 0.00 0.00 178.44 180.02 2r43 h THR 91 N 0.77 1.25 -0.39 0.22 1.35 -1.42 -0.96 112.91 113.74 2r43 h THR 91 Ca 0.19 -0.89 -0.03 0.00 -0.55 0.00 0.00 66.41 65.14 2r43 h THR 91 Cb 0.07 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 2r43 h THR 91 CO -0.03 0.34 0.13 1.56 -0.25 0.00 0.00 175.52 177.27 2r43 h GLN 92 N 0.98 0.55 -0.11 4.72 4.20 -1.53 -2.08 115.11 121.84 2r43 h GLN 92 Ca 0.21 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2r43 h GLN 92 Cb 0.32 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2r43 h GLN 92 CO -0.00 0.48 0.00 0.44 -0.67 0.00 0.00 178.83 179.08 2r43 n ILE 93 N -4.36 0.14 -0.81 2.54 -5.35 -0.99 -4.93 119.36 105.60 2r43 n ILE 93 Ca 0.02 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2r43 n ILE 93 Cb 0.16 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 2r43 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r43 n GLY 94 N 1.14 0.61 3.74 3.28 0.00 -0.78 -5.03 105.19 108.16 2r43 n GLY 94 Ca 0.17 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 2r43 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r43 s THR 96 N -0.47 0.71 -0.06 0.00 -4.23 -1.26 -4.69 115.64 105.63 2r43 s THR 96 Ca 0.46 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 2r43 s THR 96 Cb -0.26 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 2r43 s THR 96 CO 0.33 -0.85 0.27 -0.76 -0.54 0.00 0.00 174.62 173.06 2r43 s LEU 97 N -3.00 4.43 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.95 2r43 s LEU 97 Ca 0.11 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2r43 s LEU 97 Cb 0.05 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.98 2r43 s LEU 97 CO -0.04 0.37 0.02 0.20 0.23 0.00 0.00 176.35 177.13 2r43 s ASN 98 N -1.03 0.07 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.85 2r43 s ASN 98 Ca 0.19 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.51 2r43 s ASN 98 Cb -0.14 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.02 2r43 s ASN 98 CO 0.08 -0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.73