#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk1 s ALA 7 N 0.00 3.78 -0.20 0.55 0.00 -0.38 -4.69 121.76 120.83 2jk1 s ALA 7 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 2jk1 s ALA 7 Cb 0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 2jk1 s ALA 7 CO 0.00 -0.04 0.26 0.42 0.00 0.00 0.00 175.76 176.39 2jk1 s ILE 8 N -2.29 5.31 -0.24 0.00 1.01 -0.30 -0.99 121.20 123.70 2jk1 s ILE 8 Ca 0.41 0.43 -0.10 0.00 0.00 0.00 0.00 60.65 61.38 2jk1 s ILE 8 Cb -0.10 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2jk1 s ILE 8 CO 0.35 0.35 0.15 -0.22 0.00 0.00 0.00 174.94 175.57 2jk1 s LEU 9 N 0.84 4.04 -0.14 2.97 0.20 0.47 -0.90 118.68 126.16 2jk1 s LEU 9 Ca 0.13 0.08 -0.04 0.00 0.69 0.00 0.00 54.13 54.99 2jk1 s LEU 9 Cb -0.13 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.51 2jk1 s LEU 9 CO 0.04 0.06 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.38 2jk1 s LEU 10 N 1.10 3.36 -0.14 -0.68 1.43 0.30 -1.04 118.68 123.01 2jk1 s LEU 10 Ca 0.07 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2jk1 s LEU 10 Cb -0.14 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.32 2jk1 s LEU 10 CO 0.05 0.21 -0.04 -0.69 0.23 0.00 0.00 176.35 176.11 2jk1 s VAL 11 N 0.09 0.88 -0.25 -1.59 1.01 0.19 -0.95 120.40 119.78 2jk1 s VAL 11 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 2jk1 s VAL 11 Cb -0.13 -1.05 0.07 0.00 0.00 0.00 0.00 36.38 35.26 2jk1 s VAL 11 CO 0.02 0.17 0.64 -0.62 0.00 0.00 0.00 175.10 175.32 2jk1 s ASP 12 N 1.74 -0.74 0.33 3.32 -1.08 -0.98 -1.01 116.67 118.26 2jk1 s ASP 12 Ca 0.02 1.34 0.17 0.00 -0.52 0.00 0.00 52.55 53.56 2jk1 s ASP 12 Cb -0.14 1.30 0.19 0.00 -1.46 0.00 0.00 42.92 42.81 2jk1 s ASP 12 CO -0.07 -0.23 1.51 -2.24 0.52 0.00 0.00 175.17 174.66 2jk1 h ASP 13 N 5.78 0.00 -3.56 -0.34 2.03 -1.85 -3.38 116.42 115.09 2jk1 h ASP 13 Ca -0.30 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.38 2jk1 h ASP 13 Cb 1.18 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.55 2jk1 h ASP 13 CO 0.13 0.38 0.18 -1.61 -1.03 0.00 0.00 179.24 177.29 2jk1 s GLU 14 N -3.07 3.66 0.49 4.15 2.02 -1.26 -4.98 118.70 119.72 2jk1 s GLU 14 Ca 0.04 0.07 0.16 0.00 0.02 0.00 0.00 54.97 55.26 2jk1 s GLU 14 Cb 0.07 -3.82 1.20 0.00 0.10 0.00 0.00 34.13 31.68 2jk1 s GLU 14 CO 0.72 -0.78 2.08 -1.35 0.02 0.00 0.00 175.26 175.95 2jk1 h PRO 15 N 8.50 0.14 0.01 0.39 0.11 -1.99 -2.08 132.00 137.08 2jk1 h PRO 15 Ca -0.26 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.73 2jk1 h PRO 15 Cb 1.11 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.20 2jk1 h PRO 15 CO 0.85 0.09 -0.46 1.25 -0.21 0.00 0.00 178.00 179.52 2jk1 h HIS 16 N 0.14 0.44 -0.67 0.65 2.76 -1.97 -1.85 115.15 114.65 2jk1 h HIS 16 Ca 0.11 -0.25 0.03 0.00 -2.20 0.00 0.00 60.37 58.05 2jk1 h HIS 16 Cb 0.25 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 2jk1 h HIS 16 CO -0.00 1.08 0.42 1.03 -1.30 0.00 0.00 177.93 179.16 2jk1 h SER 17 N -0.32 0.69 -0.26 3.26 0.87 -1.92 0.97 113.55 116.85 2jk1 h SER 17 Ca -0.06 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2jk1 h SER 17 Cb 1.22 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2jk1 h SER 17 CO 0.09 0.48 0.13 0.25 -0.53 0.00 0.00 176.83 177.25 2jk1 h LEU 18 N 0.83 0.33 -1.01 2.23 5.85 -1.41 -0.69 115.31 121.44 2jk1 h LEU 18 Ca 0.27 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2jk1 h LEU 18 Cb 0.01 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2jk1 h LEU 18 CO -0.10 0.35 0.31 0.00 -0.34 0.00 0.00 178.44 178.65 2jk1 h ALA 19 N 0.99 1.22 -0.35 1.25 0.00 -0.86 -1.85 119.26 119.67 2jk1 h ALA 19 Ca 0.09 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2jk1 h ALA 19 Cb 0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2jk1 h ALA 19 CO -0.01 0.58 -0.45 0.00 0.00 0.00 0.00 179.25 179.37 2jk1 h ALA 20 N 1.34 0.53 -0.58 0.00 0.00 -0.48 -0.92 119.26 119.14 2jk1 h ALA 20 Ca 0.24 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2jk1 h ALA 20 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2jk1 h ALA 20 CO -0.03 0.68 0.33 0.52 0.00 0.00 0.00 179.25 180.75 2jk1 h MET 21 N 0.73 0.63 -0.25 0.00 2.07 -0.96 -0.48 114.93 116.68 2jk1 h MET 21 Ca 0.04 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2jk1 h MET 21 Cb 1.05 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.63 2jk1 h MET 21 CO 0.11 0.42 0.15 -0.22 1.07 0.00 0.00 176.91 178.43 2jk1 h LYS 22 N 0.65 0.33 -0.80 1.72 3.64 -1.16 -2.62 116.57 118.33 2jk1 h LYS 22 Ca 0.24 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 2jk1 h LYS 22 Cb 0.07 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 2jk1 h LYS 22 CO -0.13 0.26 0.45 1.25 -2.27 0.00 0.00 179.45 179.01 2jk1 h LEU 23 N 0.31 0.64 -1.69 5.20 6.46 -0.67 -0.31 115.31 125.26 2jk1 h LEU 23 Ca 0.09 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2jk1 h LEU 23 Cb 0.01 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2jk1 h LEU 23 CO -0.02 0.37 0.12 0.00 -0.62 0.00 0.00 178.44 178.30 2jk1 h ALA 24 N 1.44 1.76 0.00 1.25 0.00 -0.79 -3.30 119.26 119.62 2jk1 h ALA 24 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2jk1 h ALA 24 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jk1 h ALA 24 CO -0.24 0.20 -1.68 1.28 0.00 0.00 0.00 179.25 178.81 2jk1 n LEU 25 N -4.46 0.02 0.26 0.00 4.77 -0.84 -4.72 117.00 112.02 2jk1 n LEU 25 Ca 0.01 -0.01 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 2jk1 n LEU 25 Cb 0.10 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.85 2jk1 n LEU 25 CO 0.35 0.00 0.93 1.05 -1.33 0.00 0.00 177.39 178.40 2jk1 h GLU 26 N 0.00 0.00 0.00 3.23 4.11 -1.16 0.42 114.58 121.18 2jk1 h GLU 26 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jk1 h GLU 26 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2jk1 h GLU 26 CO 0.00 0.12 0.00 -0.25 0.07 0.00 0.00 179.01 178.95 2jk1 n ASP 27 N -3.39 0.02 0.00 3.06 8.00 -1.26 -3.83 116.55 119.15 2jk1 n ASP 27 Ca -0.01 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2jk1 n ASP 27 Cb 0.31 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 2jk1 n ASP 27 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2jk1 n ASP 28 N -1.52 4.66 -3.93 -2.24 8.00 0.02 -5.09 116.55 116.45 2jk1 n ASP 28 Ca 0.04 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.44 2jk1 n ASP 28 Cb 0.19 0.73 -0.10 0.00 -0.02 0.00 0.00 41.12 41.93 2jk1 n ASP 28 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jk1 s PHE 29 N -1.89 0.19 -0.10 1.24 0.08 -0.52 -5.11 117.98 111.86 2jk1 s PHE 29 Ca 0.00 -0.47 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 2jk1 s PHE 29 Cb 0.00 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.29 2jk1 s PHE 29 CO 0.00 -0.34 1.15 0.34 -0.10 0.00 0.00 175.22 176.27 2jk1 s ASP 30 N -2.00 7.09 -0.17 1.36 -1.08 -1.26 -4.41 116.67 116.19 2jk1 s ASP 30 Ca -0.07 1.68 -0.03 0.00 -0.52 0.00 0.00 52.55 53.62 2jk1 s ASP 30 Cb -0.02 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.87 2jk1 s ASP 30 CO -0.04 -0.59 -0.07 -0.69 0.52 0.00 0.00 175.17 174.31 2jk1 s VAL 31 N 2.47 3.40 0.03 1.11 1.01 -1.26 -1.15 120.40 126.00 2jk1 s VAL 31 Ca 0.53 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2jk1 s VAL 31 Cb -0.22 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2jk1 s VAL 31 CO 0.18 0.48 -0.04 -0.76 0.00 0.00 0.00 175.10 174.96 2jk1 s LEU 32 N 0.79 3.32 0.02 3.92 1.43 -0.08 -4.97 118.68 123.12 2jk1 s LEU 32 Ca -0.03 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2jk1 s LEU 32 Cb -0.15 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2jk1 s LEU 32 CO 0.01 0.25 -0.17 0.42 0.23 0.00 0.00 176.35 177.10 2jk1 s THR 33 N -1.11 1.31 0.01 5.49 -4.23 -1.26 -0.54 115.64 115.32 2jk1 s THR 33 Ca 0.20 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 2jk1 s THR 33 Cb -0.11 -1.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 2jk1 s THR 33 CO 0.11 0.18 -0.03 0.00 -0.54 0.00 0.00 174.62 174.34 2jk1 s ALA 34 N -0.67 0.22 -1.81 3.99 0.00 -0.12 -4.94 121.76 118.42 2jk1 s ALA 34 Ca 0.05 -0.37 0.27 0.00 0.00 0.00 0.00 51.96 51.91 2jk1 s ALA 34 Cb -0.07 0.04 0.86 0.00 0.00 0.00 0.00 23.12 23.94 2jk1 s ALA 34 CO 0.01 -0.04 1.63 1.04 0.00 0.00 0.00 175.76 178.40 2jk1 n GLN 35 N 2.30 0.90 -3.76 0.00 6.02 -1.26 -2.31 117.38 119.26 2jk1 n GLN 35 Ca -0.18 -0.50 0.02 0.00 -0.01 0.00 0.00 57.00 56.33 2jk1 n GLN 35 Cb 0.57 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.34 2jk1 n GLN 35 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2jk1 s GLY 36 N -2.45 -0.30 0.29 1.08 0.00 -1.26 -3.56 107.32 101.12 2jk1 s GLY 36 Ca 0.26 0.43 -0.01 0.00 0.00 0.00 0.00 44.72 45.41 2jk1 s GLY 36 CO 0.49 2.21 1.91 0.00 0.00 0.00 0.00 173.10 177.71 2jk1 h ALA 37 N 2.00 1.47 0.02 3.20 0.00 -1.92 -2.03 119.26 122.00 2jk1 h ALA 37 Ca -0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jk1 h ALA 37 Cb 1.20 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jk1 h ALA 37 CO 0.30 0.41 -0.01 1.49 0.00 0.00 0.00 179.25 181.44 2jk1 h GLU 38 N 1.09 -0.02 -0.20 0.00 4.81 -1.97 0.53 114.58 118.82 2jk1 h GLU 38 Ca 0.39 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 2jk1 h GLU 38 Cb 0.14 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2jk1 h GLU 38 CO -0.14 0.20 0.07 0.00 -0.73 0.00 0.00 179.01 178.42 2jk1 h ALA 39 N 0.73 1.77 -0.01 2.92 0.00 -1.93 -2.41 119.26 120.33 2jk1 h ALA 39 Ca -0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2jk1 h ALA 39 Cb 0.24 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jk1 h ALA 39 CO 0.00 0.19 -0.70 0.00 0.00 0.00 0.00 179.25 178.75 2jk1 h ALA 40 N 1.81 0.09 -0.94 0.00 0.00 -1.02 -2.62 119.26 116.58 2jk1 h ALA 40 Ca 0.07 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 54.43 2jk1 h ALA 40 Cb 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2jk1 h ALA 40 CO -0.01 0.43 0.62 0.82 0.00 0.00 0.00 179.25 181.11 2jk1 h ILE 41 N 0.02 1.14 -0.78 0.00 1.08 -0.81 -0.65 117.51 117.51 2jk1 h ILE 41 Ca -0.09 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 63.97 2jk1 h ILE 41 Cb 1.39 -0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 2jk1 h ILE 41 CO 0.14 0.21 0.41 0.00 -0.69 0.00 0.00 178.15 178.22 2jk1 h ALA 42 N 1.46 1.26 -0.26 1.87 0.00 -1.36 -0.86 119.26 121.37 2jk1 h ALA 42 Ca 0.38 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jk1 h ALA 42 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jk1 h ALA 42 CO -0.12 0.59 -0.15 0.82 0.00 0.00 0.00 179.25 180.39 2jk1 h ILE 43 N 1.09 1.30 -0.30 0.00 2.04 -1.02 -3.13 117.51 117.49 2jk1 h ILE 43 Ca 0.27 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2jk1 h ILE 43 Cb 0.05 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2jk1 h ILE 43 CO -0.04 0.39 0.13 -0.07 0.00 0.00 0.00 178.15 178.56 2jk1 h LEU 44 N 0.30 0.37 -1.29 1.44 3.38 -0.67 0.16 115.31 119.00 2jk1 h LEU 44 Ca 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jk1 h LEU 44 Cb 0.67 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jk1 h LEU 44 CO 0.04 0.34 0.00 -0.33 0.09 0.00 0.00 178.44 178.58 2jk1 h GLU 45 N 0.42 0.00 0.00 1.13 5.08 -1.13 -3.36 114.58 116.72 2jk1 h GLU 45 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2jk1 h GLU 45 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2jk1 h GLU 45 CO -0.01 0.00 -0.98 0.39 -1.00 0.00 0.00 179.01 177.40 2jk1 n GLU 46 N -3.07 0.69 -4.45 2.33 -0.58 -0.72 -5.06 120.64 109.78 2jk1 n GLU 46 Ca 0.01 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.50 2jk1 n GLU 46 Cb 0.33 -0.99 -0.11 0.00 -0.57 0.00 0.00 31.44 30.10 2jk1 n GLU 46 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2jk1 s GLU 47 N -1.97 1.63 -0.48 3.49 0.41 0.48 -5.10 118.70 117.16 2jk1 s GLU 47 Ca 0.00 -1.66 -0.24 0.00 -0.41 0.00 0.00 54.97 52.66 2jk1 s GLU 47 Cb 0.00 -1.81 0.03 0.00 -1.78 0.00 0.00 34.13 30.57 2jk1 s GLU 47 CO 0.00 0.36 0.85 -0.46 -0.49 0.00 0.00 175.26 175.52 2jk1 s TRP 48 N -2.15 2.93 -0.14 1.61 -0.00 -1.26 -4.67 118.94 115.25 2jk1 s TRP 48 Ca 0.26 0.16 0.01 0.00 -0.00 0.00 0.00 56.10 56.53 2jk1 s TRP 48 Cb -0.06 -3.84 -0.00 0.00 -0.00 0.00 0.00 33.47 29.57 2jk1 s TRP 48 CO 0.13 -1.10 -0.17 0.08 -0.00 0.00 0.00 176.95 175.89 2jk1 s VAL 49 N 3.54 2.60 -0.14 5.86 1.01 -1.26 -1.25 120.40 130.76 2jk1 s VAL 49 Ca 0.31 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2jk1 s VAL 49 Cb -0.12 -2.08 -0.24 0.00 0.00 0.00 0.00 36.38 33.95 2jk1 s VAL 49 CO 0.23 0.53 0.27 0.00 0.00 0.00 0.00 175.10 176.12 2jk1 n GLN 50 N 3.86 0.72 -4.25 2.72 10.64 -0.16 -4.78 117.38 126.13 2jk1 n GLN 50 Ca -0.19 0.23 -0.18 0.00 -1.83 0.00 0.00 57.00 55.03 2jk1 n GLN 50 Cb 0.52 -1.67 -0.15 0.00 -0.86 0.00 0.00 30.24 28.08 2jk1 n GLN 50 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2jk1 s VAL 51 N -2.55 0.56 -0.14 -0.39 1.01 -1.21 -1.14 120.40 116.53 2jk1 s VAL 51 Ca -0.22 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2jk1 s VAL 51 Cb 0.07 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.96 2jk1 s VAL 51 CO 0.75 0.18 -0.19 -0.63 0.00 0.00 0.00 175.10 175.20 2jk1 s ILE 52 N 0.10 1.87 -0.20 2.22 1.09 -0.23 -0.39 121.20 125.66 2jk1 s ILE 52 Ca -0.01 -0.85 -0.02 0.00 -1.10 0.00 0.00 60.65 58.67 2jk1 s ILE 52 Cb -0.06 -1.68 -0.01 0.00 -1.06 0.00 0.00 42.46 39.65 2jk1 s ILE 52 CO -0.00 0.51 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.64 2jk1 s ILE 53 N 1.04 3.13 -0.04 2.92 1.01 -0.21 -0.83 121.20 128.23 2jk1 s ILE 53 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2jk1 s ILE 53 Cb -0.14 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.94 2jk1 s ILE 53 CO -0.05 0.46 -0.09 0.00 0.00 0.00 0.00 174.94 175.26 2jk1 s ASP 55 N 0.52 6.83 -0.03 0.00 2.15 -0.18 -0.29 116.67 125.68 2jk1 s ASP 55 Ca -0.09 2.32 -0.26 0.00 0.43 0.00 0.00 52.55 54.94 2jk1 s ASP 55 Cb -0.13 -2.62 -0.21 0.00 -0.30 0.00 0.00 42.92 39.67 2jk1 s ASP 55 CO 0.02 -0.46 1.20 -0.61 -0.17 0.00 0.00 175.17 175.15 2jk1 h GLN 56 N 3.09 -0.02 -4.59 4.34 5.75 -1.35 -3.24 115.11 119.09 2jk1 h GLN 56 Ca -0.48 0.00 -0.71 0.00 -0.15 0.00 0.00 58.65 57.31 2jk1 h GLN 56 Cb 1.22 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 29.57 2jk1 h GLN 56 CO 0.64 0.51 -0.06 1.03 -2.65 0.00 0.00 178.83 178.30 2jk1 s ARG 57 N -4.04 3.05 0.03 1.69 0.52 -1.26 -1.08 118.95 117.85 2jk1 s ARG 57 Ca -0.16 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 2jk1 s ARG 57 Cb 0.01 -4.19 -0.02 0.00 0.52 0.00 0.00 34.95 31.28 2jk1 s ARG 57 CO 0.67 -1.29 -0.10 -1.64 0.02 0.00 0.00 175.30 172.96 2jk1 s MET 58 N 2.25 0.67 0.22 3.54 -1.94 -1.26 -4.81 119.30 117.97 2jk1 s MET 58 Ca 0.10 -0.63 -0.32 0.00 -1.71 0.00 0.00 55.69 53.13 2jk1 s MET 58 Cb -0.24 -0.58 -0.13 0.00 2.01 0.00 0.00 34.83 35.89 2jk1 s MET 58 CO 0.08 0.14 1.50 -2.30 -0.01 0.00 0.00 175.02 174.42 2jk1 n PRO 59 N 1.98 2.20 0.00 2.03 -0.02 -1.26 -4.08 135.00 135.85 2jk1 n PRO 59 Ca -0.19 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2jk1 n PRO 59 Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2jk1 n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jk1 n GLY 60 N 2.60 2.49 3.69 -1.23 0.00 -1.26 -4.88 105.19 106.60 2jk1 n GLY 60 Ca 0.13 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2jk1 n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jk1 s ARG 61 N 0.00 4.14 0.73 1.61 3.52 -1.26 -4.99 118.95 122.71 2jk1 s ARG 61 Ca 0.00 2.58 -0.11 0.00 -0.13 0.00 0.00 55.73 58.07 2jk1 s ARG 61 Cb 0.00 -3.58 0.03 0.00 -1.56 0.00 0.00 34.95 29.84 2jk1 s ARG 61 CO 0.00 -0.83 1.08 0.95 -0.81 0.00 0.00 175.30 175.68 2jk1 s THR 62 N 2.69 3.65 0.27 4.11 -4.23 -1.26 -4.41 115.64 116.46 2jk1 s THR 62 Ca 0.80 0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 61.82 2jk1 s THR 62 Cb -0.46 -3.14 0.26 0.00 1.34 0.00 0.00 72.50 70.50 2jk1 s THR 62 CO 0.36 -0.69 1.95 1.23 -0.54 0.00 0.00 174.62 176.92 2jk1 h GLY 63 N -0.90 1.31 1.00 3.99 0.00 -1.13 -1.43 103.07 105.90 2jk1 h GLY 63 Ca -0.44 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 2jk1 h GLY 63 CO 0.54 0.46 0.35 -2.08 0.00 0.00 0.00 176.54 175.82 2jk1 h VAL 64 N 1.24 1.18 -0.03 4.60 2.07 -1.87 0.12 116.25 123.56 2jk1 h VAL 64 Ca 0.34 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2jk1 h VAL 64 Cb -0.12 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2jk1 h VAL 64 CO -0.08 0.19 -0.01 -0.78 0.02 0.00 0.00 177.57 176.91 2jk1 h ASP 65 N 0.81 0.06 -0.35 0.57 3.58 -1.91 -1.30 116.42 117.88 2jk1 h ASP 65 Ca 0.21 -0.38 0.06 0.00 0.42 0.00 0.00 57.03 57.34 2jk1 h ASP 65 Cb -0.01 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 40.97 2jk1 h ASP 65 CO -0.04 0.42 0.04 0.15 -2.88 0.00 0.00 179.24 176.93 2jk1 h PHE 66 N -0.30 0.06 0.00 0.28 3.57 -1.19 -2.71 116.94 116.65 2jk1 h PHE 66 Ca 0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2jk1 h PHE 66 Cb 0.40 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2jk1 h PHE 66 CO 0.06 -0.02 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.73 2jk1 h LEU 67 N 0.15 0.00 -0.47 0.59 3.38 -0.73 -1.19 115.31 117.04 2jk1 h LEU 67 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2jk1 h LEU 67 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2jk1 h LEU 67 CO -0.25 0.32 0.26 0.74 0.09 0.00 0.00 178.44 179.61 2jk1 h THR 68 N 0.00 1.16 -0.40 0.22 2.02 -0.97 -0.34 112.91 114.61 2jk1 h THR 68 Ca -0.00 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 2jk1 h THR 68 Cb 0.78 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2jk1 h THR 68 CO 0.04 0.17 -0.29 -0.08 0.37 0.00 0.00 175.52 175.73 2jk1 h GLU 69 N 0.62 0.86 -0.85 6.66 4.81 -1.17 -2.76 114.58 122.76 2jk1 h GLU 69 Ca 0.16 -0.39 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 2jk1 h GLU 69 Cb 0.05 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2jk1 h GLU 69 CO -0.03 1.04 0.54 0.28 -0.73 0.00 0.00 179.01 180.11 2jk1 h VAL 70 N 0.73 1.14 -0.89 0.32 2.07 -1.00 -1.04 116.25 117.58 2jk1 h VAL 70 Ca 0.08 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2jk1 h VAL 70 Cb 0.85 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2jk1 h VAL 70 CO 0.07 0.19 0.51 -0.09 0.02 0.00 0.00 177.57 178.27 2jk1 h ARG 71 N 1.06 1.22 0.14 1.57 2.43 -0.91 0.95 114.38 120.85 2jk1 h ARG 71 Ca 0.34 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2jk1 h ARG 71 Cb 0.00 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2jk1 h ARG 71 CO -0.11 0.88 -0.07 0.93 -1.51 0.00 0.00 179.97 180.09 2jk1 h GLU 72 N 1.24 -0.18 0.03 0.20 4.39 -1.10 -3.07 114.58 116.08 2jk1 h GLU 72 Ca 0.32 0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.77 2jk1 h GLU 72 Cb -0.01 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2jk1 h GLU 72 CO -0.05 0.07 -1.35 0.00 -1.16 0.00 0.00 179.01 176.51 2jk1 h ARG 73 N -0.42 0.05 -2.16 2.33 3.08 -1.15 -3.41 114.38 112.70 2jk1 h ARG 73 Ca -0.02 -0.09 -0.57 0.00 0.07 0.00 0.00 59.98 59.37 2jk1 h ARG 73 Cb 0.34 0.03 -0.39 0.00 0.08 0.00 0.00 29.97 30.03 2jk1 h ARG 73 CO 0.03 0.85 -1.01 0.91 -1.07 0.00 0.00 179.97 179.69 2jk1 n TRP 74 N -3.27 -0.07 0.38 3.04 8.01 0.32 -5.01 117.44 120.85 2jk1 n TRP 74 Ca -0.09 -3.56 0.12 0.00 -1.31 0.00 0.00 57.50 52.65 2jk1 n TRP 74 Cb 1.00 -0.20 0.49 0.00 -2.01 0.00 0.00 31.31 30.59 2jk1 n TRP 74 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 2jk1 n PRO 75 N 1.81 0.18 0.00 -0.99 -0.04 -1.16 -2.56 135.00 132.24 2jk1 n PRO 75 Ca 0.24 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 2jk1 n PRO 75 Cb 0.50 -1.86 0.47 0.00 -0.04 0.00 0.00 33.50 32.56 2jk1 n PRO 75 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2jk1 n GLU 76 N -2.21 0.88 -1.71 0.54 -0.00 -1.26 -4.87 120.64 112.01 2jk1 n GLU 76 Ca 0.02 -0.46 -0.34 0.00 -0.00 0.00 0.00 57.16 56.38 2jk1 n GLU 76 Cb 0.21 -1.49 0.06 0.00 -0.00 0.00 0.00 31.44 30.22 2jk1 n GLU 76 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2jk1 s THR 77 N -2.44 2.68 -0.20 3.84 -4.23 -1.06 -4.92 115.64 109.32 2jk1 s THR 77 Ca 0.27 0.36 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 2jk1 s THR 77 Cb 0.20 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 2jk1 s THR 77 CO 0.49 -0.16 0.11 -0.69 -0.54 0.00 0.00 174.62 173.83 2jk1 s VAL 78 N -1.97 5.18 -0.14 2.29 1.01 -0.29 -5.01 120.40 121.47 2jk1 s VAL 78 Ca 0.73 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.84 2jk1 s VAL 78 Cb -0.27 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2jk1 s VAL 78 CO 0.40 0.43 -0.20 -0.13 0.00 0.00 0.00 175.10 175.61 2jk1 s ARG 79 N 0.46 2.78 -0.05 2.72 0.52 -1.26 -1.07 118.95 123.05 2jk1 s ARG 79 Ca 0.06 -0.76 0.05 0.00 -0.52 0.00 0.00 55.73 54.56 2jk1 s ARG 79 Cb -0.12 -2.30 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 2jk1 s ARG 79 CO -0.00 -0.06 -0.21 0.42 0.02 0.00 0.00 175.30 175.46 2jk1 s ILE 80 N 0.95 1.71 -0.05 1.52 1.01 -0.01 -1.18 121.20 125.15 2jk1 s ILE 80 Ca -0.05 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.76 2jk1 s ILE 80 Cb -0.15 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 2jk1 s ILE 80 CO -0.04 0.48 -0.15 -0.51 0.00 0.00 0.00 174.94 174.72 2jk1 s ILE 81 N -0.07 2.98 -0.20 2.92 2.07 -0.86 -1.01 121.20 127.02 2jk1 s ILE 81 Ca -0.03 -0.75 -0.07 0.00 -1.41 0.00 0.00 60.65 58.39 2jk1 s ILE 81 Cb -0.12 -2.16 -0.04 0.00 0.13 0.00 0.00 42.46 40.27 2jk1 s ILE 81 CO 0.03 0.59 0.06 -0.63 -1.91 0.00 0.00 174.94 173.07 2jk1 s ILE 82 N -0.64 4.60 -0.05 2.00 1.01 0.61 -0.05 121.20 128.67 2jk1 s ILE 82 Ca 0.10 -0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 2jk1 s ILE 82 Cb -0.11 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.30 2jk1 s ILE 82 CO 0.01 0.42 0.43 0.28 0.00 0.00 0.00 174.94 176.08 2jk1 s THR 83 N 0.78 0.03 0.00 2.92 -1.32 -0.55 -0.85 115.64 116.65 2jk1 s THR 83 Ca 0.03 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 2jk1 s THR 83 Cb -0.14 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2jk1 s THR 83 CO 0.02 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 2jk1 n GLY 84 N 1.43 1.04 4.01 6.08 0.00 -1.26 -0.79 105.19 115.70 2jk1 n GLY 84 Ca -0.20 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 2jk1 n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jk1 n TYR 85 N -0.94 -1.80 0.37 1.61 4.01 -1.26 -4.85 117.16 114.30 2jk1 n TYR 85 Ca 0.00 0.80 0.14 0.00 -0.16 0.00 0.00 57.90 58.68 2jk1 n TYR 85 Cb 0.00 -3.58 0.53 0.00 -0.31 0.00 0.00 39.34 35.98 2jk1 n TYR 85 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2jk1 h THR 86 N -1.78 0.00 -0.30 -0.72 1.35 -1.99 -2.29 112.91 107.18 2jk1 h THR 86 Ca -0.61 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2jk1 h THR 86 Cb 1.38 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2jk1 h THR 86 CO 0.68 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.05 2jk1 n ASP 87 N -2.59 1.72 -4.58 5.36 5.75 -1.26 -4.83 116.55 116.12 2jk1 n ASP 87 Ca 0.02 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.36 2jk1 n ASP 87 Cb 0.30 -0.23 -0.07 0.00 -1.03 0.00 0.00 41.12 40.08 2jk1 n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2jk1 s SER 88 N -0.96 6.40 0.32 -1.12 0.15 -0.86 -4.97 113.70 112.65 2jk1 s SER 88 Ca 0.21 0.20 0.01 0.00 0.70 0.00 0.00 55.95 57.06 2jk1 s SER 88 Cb 0.11 -2.30 0.53 0.00 -1.71 0.00 0.00 66.02 62.65 2jk1 s SER 88 CO 0.13 -0.47 1.94 0.00 1.20 0.00 0.00 173.24 176.04 2jk1 h ALA 89 N 8.33 1.41 -0.47 5.45 0.00 -1.89 -1.19 119.26 130.90 2jk1 h ALA 89 Ca -0.27 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2jk1 h ALA 89 Cb 1.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jk1 h ALA 89 CO 0.78 0.48 -0.23 0.66 0.00 0.00 0.00 179.25 180.95 2jk1 h SER 90 N 0.87 1.01 -0.24 0.00 4.64 -1.97 0.54 113.55 118.41 2jk1 h SER 90 Ca 0.22 -0.39 0.05 0.00 -0.47 0.00 0.00 61.79 61.20 2jk1 h SER 90 Cb 0.03 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 61.79 2jk1 h SER 90 CO -0.04 1.19 -0.10 -0.03 -0.87 0.00 0.00 176.83 176.98 2jk1 h MET 91 N 0.85 -0.07 -0.71 4.77 -1.53 -1.81 0.02 114.93 116.45 2jk1 h MET 91 Ca 0.11 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.37 2jk1 h MET 91 Cb 0.81 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.84 2jk1 h MET 91 CO 0.07 -0.04 0.44 0.52 0.14 0.00 0.00 176.91 178.03 2jk1 h MET 92 N -0.07 0.95 -0.61 0.39 2.86 -1.04 -1.87 114.93 115.55 2jk1 h MET 92 Ca 0.13 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2jk1 h MET 92 Cb 0.26 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2jk1 h MET 92 CO -0.28 0.66 0.09 0.00 1.06 0.00 0.00 176.91 178.43 2jk1 h ALA 93 N 1.23 0.81 -0.65 6.32 0.00 -0.70 -1.67 119.26 124.61 2jk1 h ALA 93 Ca 0.26 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2jk1 h ALA 93 Cb -0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 2jk1 h ALA 93 CO -0.05 0.58 0.32 0.00 0.00 0.00 0.00 179.25 180.10 2jk1 h ALA 94 N 1.01 0.87 -0.18 0.00 0.00 -0.66 -0.70 119.26 119.60 2jk1 h ALA 94 Ca 0.18 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jk1 h ALA 94 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jk1 h ALA 94 CO 0.01 -0.05 0.00 0.82 0.00 0.00 0.00 179.25 180.04 2jk1 h ILE 95 N 0.58 1.25 -0.21 0.00 2.04 -1.11 -1.67 117.51 118.39 2jk1 h ILE 95 Ca 0.31 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.36 2jk1 h ILE 95 Cb 0.28 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2jk1 h ILE 95 CO -0.23 0.25 0.05 -1.13 0.00 0.00 0.00 178.15 177.09 2jk1 h ASN 96 N 0.07 0.02 0.09 1.72 -0.73 -1.21 -2.64 115.58 112.90 2jk1 h ASN 96 Ca 0.05 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 2jk1 h ASN 96 Cb 0.37 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 2jk1 h ASN 96 CO 0.01 0.04 -0.07 0.44 -0.37 0.00 0.00 177.43 177.48 2jk1 h ASP 97 N 0.13 0.00 0.79 1.15 3.32 -1.00 -1.58 116.42 119.23 2jk1 h ASP 97 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2jk1 h ASP 97 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2jk1 h ASP 97 CO -0.12 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 2jk1 n ALA 98 N -2.48 2.01 -2.30 3.45 0.00 -0.64 -4.90 120.51 115.64 2jk1 n ALA 98 Ca -0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2jk1 n ALA 98 Cb 0.15 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2jk1 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jk1 n GLY 99 N 0.76 -0.03 3.73 0.00 0.00 -0.59 -4.43 105.19 104.63 2jk1 n GLY 99 Ca 0.05 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2jk1 n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jk1 s ILE 100 N -2.60 4.23 0.20 -0.61 1.01 -1.10 -4.90 121.20 117.42 2jk1 s ILE 100 Ca 0.04 1.82 -0.00 0.00 0.00 0.00 0.00 60.65 62.51 2jk1 s ILE 100 Cb -0.02 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.22 2jk1 s ILE 100 CO 0.04 0.27 1.50 0.45 0.00 0.00 0.00 174.94 177.20 2jk1 h HIS 101 N 5.62 0.53 -2.11 3.97 3.86 -1.50 -3.45 115.15 122.08 2jk1 h HIS 101 Ca -0.43 -0.21 0.03 0.00 -1.16 0.00 0.00 60.37 58.61 2jk1 h HIS 101 Cb 1.21 -0.09 -0.18 0.00 1.06 0.00 0.00 27.41 29.41 2jk1 h HIS 101 CO 0.64 0.92 0.38 -1.14 0.86 0.00 0.00 177.93 179.60 2jk1 s GLN 102 N -3.81 0.89 0.14 2.45 2.00 -1.23 -5.07 119.66 115.05 2jk1 s GLN 102 Ca -0.06 -0.04 0.09 0.00 -2.00 0.00 0.00 55.36 53.35 2jk1 s GLN 102 Cb 0.11 0.42 -0.04 0.00 0.80 0.00 0.00 33.01 34.30 2jk1 s GLN 102 CO 0.83 -0.33 -0.15 -0.59 -0.50 0.00 0.00 175.29 174.54 2jk1 s PHE 103 N -2.11 2.56 -0.07 1.67 -0.71 -1.26 -2.02 117.98 116.04 2jk1 s PHE 103 Ca -0.02 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 55.64 2jk1 s PHE 103 Cb -0.01 -1.32 -0.02 0.00 -1.21 0.00 0.00 43.02 40.46 2jk1 s PHE 103 CO -0.01 0.44 -0.12 -0.51 -1.34 0.00 0.00 175.22 173.67 2jk1 s LEU 104 N -2.41 2.84 0.21 -1.99 1.43 0.92 -4.94 118.68 114.75 2jk1 s LEU 104 Ca 0.21 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 2jk1 s LEU 104 Cb -0.10 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.44 2jk1 s LEU 104 CO 0.12 0.31 1.16 -0.89 0.23 0.00 0.00 176.35 177.28 2jk1 s THR 105 N -0.50 3.57 0.18 5.49 2.01 -1.26 -1.48 115.64 123.65 2jk1 s THR 105 Ca 0.07 1.39 -0.27 0.00 0.31 0.00 0.00 61.69 63.18 2jk1 s THR 105 Cb -0.12 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 2jk1 s THR 105 CO 0.02 0.25 0.86 -0.75 -0.69 0.00 0.00 174.62 174.31 2jk1 s LYS 106 N -0.60 4.69 0.18 4.92 2.20 0.03 -3.10 119.74 128.06 2jk1 s LYS 106 Ca 0.50 1.31 -0.31 0.00 -0.36 0.00 0.00 55.97 57.11 2jk1 s LYS 106 Cb -0.32 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 2jk1 s LYS 106 CO 0.38 0.50 1.44 -1.25 -0.36 0.00 0.00 175.35 176.06 2jk1 s PRO 107 N -0.97 4.28 0.38 4.03 0.04 -1.26 -4.77 135.00 136.72 2jk1 s PRO 107 Ca 0.39 2.22 -0.27 0.00 0.04 0.00 0.00 61.00 63.38 2jk1 s PRO 107 Cb -0.24 -3.17 -0.11 0.00 0.04 0.00 0.00 34.50 31.01 2jk1 s PRO 107 CO 0.29 -0.45 1.24 -2.67 0.04 0.00 0.00 177.00 175.44 2jk1 n TRP 108 N 3.31 2.06 -3.41 0.56 4.27 -1.18 -4.96 117.44 118.10 2jk1 n TRP 108 Ca 0.10 0.54 -0.39 0.00 -3.89 0.00 0.00 57.50 53.87 2jk1 n TRP 108 Cb 0.41 -2.37 -0.09 0.00 -1.36 0.00 0.00 31.31 27.89 2jk1 n TRP 108 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 2jk1 s HIS 109 N -1.15 3.26 0.25 -2.67 5.65 -1.26 -5.00 115.29 114.38 2jk1 s HIS 109 Ca 0.58 0.41 -0.04 0.00 0.25 0.00 0.00 55.06 56.27 2jk1 s HIS 109 Cb -0.55 -2.54 0.38 0.00 -1.18 0.00 0.00 32.58 28.68 2jk1 s HIS 109 CO 0.60 -0.19 1.87 -1.35 -0.65 0.00 0.00 174.74 175.02 2jk1 h PRO 110 N 8.06 1.04 -0.05 2.88 0.11 -1.99 0.11 132.00 142.17 2jk1 h PRO 110 Ca -0.32 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.55 2jk1 h PRO 110 Cb 1.16 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2jk1 h PRO 110 CO 0.65 0.69 -0.72 0.93 -0.21 0.00 0.00 178.00 179.34 2jk1 h GLU 111 N 1.07 0.27 -0.45 1.05 3.07 -1.99 -1.64 114.58 115.97 2jk1 h GLU 111 Ca 0.41 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.90 2jk1 h GLU 111 Cb 0.18 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2jk1 h GLU 111 CO -0.18 0.88 -0.28 0.37 -1.40 0.00 0.00 179.01 178.40 2jk1 h GLN 112 N 0.18 0.97 -0.06 2.33 4.15 -1.82 -1.66 115.11 119.22 2jk1 h GLN 112 Ca -0.02 -0.45 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 2jk1 h GLN 112 Cb 1.28 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 2jk1 h GLN 112 CO 0.11 1.12 0.03 1.25 -1.93 0.00 0.00 178.83 179.42 2jk1 h LEU 113 N 0.82 0.07 -0.29 -2.39 5.85 -0.73 0.40 115.31 119.05 2jk1 h LEU 113 Ca 0.09 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2jk1 h LEU 113 Cb 0.87 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2jk1 h LEU 113 CO 0.08 0.08 0.02 0.25 -0.34 0.00 0.00 178.44 178.53 2jk1 h LEU 114 N 0.04 -0.07 -0.63 2.25 5.85 -1.32 -0.96 115.31 120.48 2jk1 h LEU 114 Ca 0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jk1 h LEU 114 Cb 0.03 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2jk1 h LEU 114 CO -0.00 -0.00 0.40 0.28 -0.34 0.00 0.00 178.44 178.78 2jk1 h SER 115 N 0.11 0.74 -0.68 1.25 0.02 -1.19 -1.47 113.55 112.33 2jk1 h SER 115 Ca 0.14 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2jk1 h SER 115 Cb 0.17 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2jk1 h SER 115 CO -0.21 0.56 0.39 0.28 -1.14 0.00 0.00 176.83 176.70 2jk1 h SER 116 N 0.85 0.84 -0.71 3.07 0.02 -0.76 -0.65 113.55 116.22 2jk1 h SER 116 Ca 0.23 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2jk1 h SER 116 Cb -0.06 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 2jk1 h SER 116 CO -0.05 0.68 0.28 0.00 -1.14 0.00 0.00 176.83 176.60 2jk1 h ALA 117 N 1.20 0.92 -0.26 3.77 0.00 -0.92 -0.03 119.26 123.93 2jk1 h ALA 117 Ca 0.24 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2jk1 h ALA 117 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jk1 h ALA 117 CO -0.04 0.55 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 2jk1 h ARG 118 N 1.02 0.51 -0.43 0.00 3.08 -1.01 0.24 114.38 117.79 2jk1 h ARG 118 Ca 0.24 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2jk1 h ARG 118 Cb 0.22 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2jk1 h ARG 118 CO -0.02 0.73 -0.13 -0.91 -1.07 0.00 0.00 179.97 178.58 2jk1 h ASN 119 N 0.26 0.86 -0.40 7.04 -0.26 -1.06 -1.59 115.58 120.43 2jk1 h ASN 119 Ca 0.07 -0.37 0.01 0.00 -0.56 0.00 0.00 56.30 55.44 2jk1 h ASN 119 Cb 0.55 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 2jk1 h ASN 119 CO 0.03 1.03 0.26 0.00 -1.06 0.00 0.00 177.43 177.69 2jk1 h ALA 120 N 0.85 0.51 -0.55 -0.83 0.00 -0.88 -1.48 119.26 116.89 2jk1 h ALA 120 Ca 0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2jk1 h ALA 120 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jk1 h ALA 120 CO 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 179.25 179.27 2jk1 h ALA 121 N 1.16 1.02 -0.62 0.00 0.00 -0.83 -1.88 119.26 118.10 2jk1 h ALA 121 Ca 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jk1 h ALA 121 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2jk1 h ALA 121 CO -0.04 0.61 0.32 -0.09 0.00 0.00 0.00 179.25 180.04 2jk1 h ARG 122 N 0.85 0.88 -0.71 0.00 2.43 -1.14 0.07 114.38 116.75 2jk1 h ARG 122 Ca 0.16 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2jk1 h ARG 122 Cb 0.46 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2jk1 h ARG 122 CO 0.02 0.69 0.39 0.52 -1.51 0.00 0.00 179.97 180.08 2jk1 h MET 123 N 0.84 0.99 0.08 0.20 2.86 -0.97 -0.30 114.93 118.64 2jk1 h MET 123 Ca 0.21 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2jk1 h MET 123 Cb 0.08 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.55 2jk1 h MET 123 CO -0.03 0.74 -0.04 0.35 1.06 0.00 0.00 176.91 178.99 2jk1 h PHE 124 N 0.98 -0.10 -0.39 -0.22 3.57 -1.08 -1.43 116.94 118.26 2jk1 h PHE 124 Ca 0.25 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2jk1 h PHE 124 Cb 0.04 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2jk1 h PHE 124 CO -0.00 -0.01 0.19 1.15 -2.23 0.00 0.00 178.31 177.41 2jk1 h THR 125 N -0.16 0.98 -0.57 4.41 2.02 -0.81 -1.12 112.91 117.64 2jk1 h THR 125 Ca -0.01 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2jk1 h THR 125 Cb 0.13 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2jk1 h THR 125 CO 0.02 0.07 0.30 -0.07 0.37 0.00 0.00 175.52 176.21 2jk1 h LEU 126 N 0.40 0.73 -0.49 2.58 3.38 -0.97 -0.06 115.31 120.87 2jk1 h LEU 126 Ca 0.17 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2jk1 h LEU 126 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2jk1 h LEU 126 CO -0.12 0.62 -0.11 0.00 0.09 0.00 0.00 178.44 178.92 2jk1 h ALA 127 N 1.13 0.68 -0.57 1.53 0.00 -1.00 -0.67 119.26 120.35 2jk1 h ALA 127 Ca 0.20 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2jk1 h ALA 127 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jk1 h ALA 127 CO -0.03 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.86 2jk1 h ARG 128 N 0.80 0.97 -0.48 0.00 2.47 -1.00 -2.02 114.38 115.11 2jk1 h ARG 128 Ca 0.13 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 2jk1 h ARG 128 Cb 0.67 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 2jk1 h ARG 128 CO 0.05 0.94 0.03 0.93 0.56 0.00 0.00 179.97 182.47 2jk1 h GLU 129 N 0.86 0.79 -0.13 0.04 5.08 -0.93 -1.68 114.58 118.60 2jk1 h GLU 129 Ca 0.17 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jk1 h GLU 129 Cb 0.46 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jk1 h GLU 129 CO 0.02 0.77 0.08 -0.97 -1.00 0.00 0.00 179.01 177.91 2jk1 h ASN 130 N 0.74 0.16 0.06 1.42 -1.24 -0.90 -0.06 115.58 115.76 2jk1 h ASN 130 Ca 0.15 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2jk1 h ASN 130 Cb 0.41 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2jk1 h ASN 130 CO 0.01 0.16 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.92 2jk1 h GLU 131 N 0.14 -0.13 -0.59 6.67 5.08 -1.29 -1.61 114.58 122.85 2jk1 h GLU 131 Ca 0.05 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2jk1 h GLU 131 Cb 0.03 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2jk1 h GLU 131 CO -0.01 -0.09 0.30 -0.09 -1.00 0.00 0.00 179.01 178.12 2jk1 h ARG 132 N -0.14 0.55 -0.47 2.33 2.43 -1.16 -0.83 114.38 117.10 2jk1 h ARG 132 Ca 0.01 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2jk1 h ARG 132 Cb 0.14 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2jk1 h ARG 132 CO -0.03 0.36 0.13 -0.07 -1.51 0.00 0.00 179.97 178.86 2jk1 h LEU 133 N 0.57 0.69 -0.87 3.80 3.38 -0.92 -0.65 115.31 121.30 2jk1 h LEU 133 Ca 0.27 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2jk1 h LEU 133 Cb 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2jk1 h LEU 133 CO -0.19 0.72 0.34 0.77 0.09 0.00 0.00 178.44 180.17 2jk1 h SER 134 N 0.62 1.06 -0.20 -0.43 4.64 -0.92 -1.71 113.55 116.61 2jk1 h SER 134 Ca 0.15 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2jk1 h SER 134 Cb 0.29 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2jk1 h SER 134 CO -0.00 0.93 0.04 -0.07 -0.87 0.00 0.00 176.83 176.86 2jk1 h LEU 135 N 1.14 0.30 -1.22 5.97 3.38 -0.94 -2.86 115.31 121.08 2jk1 h LEU 135 Ca 0.27 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 58.12 2jk1 h LEU 135 Cb 0.18 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2jk1 h LEU 135 CO -0.03 0.46 0.58 -0.33 0.09 0.00 0.00 178.44 179.21 2jk1 h GLU 136 N 0.13 0.79 -0.88 1.13 5.08 -0.98 -1.78 114.58 118.06 2jk1 h GLU 136 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jk1 h GLU 136 Cb 0.28 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2jk1 h GLU 136 CO 0.00 0.52 0.52 0.52 -1.00 0.00 0.00 179.01 179.57 2jk1 h MET 137 N 0.81 1.20 -0.46 2.33 2.86 -1.15 -1.72 114.93 118.80 2jk1 h MET 137 Ca 0.44 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.93 2jk1 h MET 137 Cb 0.55 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2jk1 h MET 137 CO -0.20 0.84 0.15 -0.09 1.06 0.00 0.00 176.91 178.67 2jk1 h ARG 138 N 1.21 0.68 0.00 1.72 9.65 -1.12 0.64 114.38 127.16 2jk1 h ARG 138 Ca 0.32 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2jk1 h ARG 138 Cb -0.04 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 2jk1 h ARG 138 CO -0.06 0.59 0.00 -0.07 2.80 0.00 0.00 179.97 183.23 2jk1 h LEU 139 N 0.66 0.00 0.05 3.80 3.38 -0.84 -3.28 115.31 119.09 2jk1 h LEU 139 Ca 0.16 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.76 2jk1 h LEU 139 Cb 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2jk1 h LEU 139 CO -0.01 0.00 -2.19 0.18 0.09 0.00 0.00 178.44 176.51 2jk1 n LEU 140 N -2.70 2.38 -4.92 1.67 4.77 -0.72 -5.01 117.00 112.46 2jk1 n LEU 140 Ca 0.03 0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.83 2jk1 n LEU 140 Cb 0.36 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2jk1 n LEU 140 CO 0.28 0.81 0.30 -1.61 -1.33 0.00 0.00 177.39 175.84 2jk1 s GLU 141 N -2.54 3.52 0.00 3.23 2.02 0.22 -4.77 118.70 120.37 2jk1 s GLU 141 Ca -0.25 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.67 2jk1 s GLU 141 Cb 0.08 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.77 2jk1 s GLU 141 CO 0.71 -0.01 0.00 0.54 0.02 0.00 0.00 175.26 176.53 2jk1 n ARG 142 N -1.95 0.00 0.00 1.61 1.74 -1.26 -4.74 116.66 112.06 2jk1 n ARG 142 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2jk1 n ARG 142 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2jk1 n ARG 142 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81