#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjk h VAL 2 N 0.00 1.18 -3.67 3.17 2.07 -2.10 -3.42 116.25 113.48 2kjk h VAL 2 Ca 0.00 -0.47 -0.52 0.00 0.82 0.00 0.00 66.70 66.53 2kjk h VAL 2 Cb 0.00 0.53 0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2kjk h VAL 2 CO 0.00 0.20 0.57 -0.54 0.02 0.00 0.00 177.57 177.82 2kjk s LYS 3 N -5.83 4.48 -0.40 1.57 -0.14 -1.26 -5.01 119.74 113.16 2kjk s LYS 3 Ca -0.13 1.98 0.03 0.00 -1.36 0.00 0.00 55.97 56.49 2kjk s LYS 3 Cb 0.12 -3.17 0.16 0.00 -1.68 0.00 0.00 37.83 33.26 2kjk s LYS 3 CO 0.76 -0.06 0.34 0.08 -0.76 0.00 0.00 175.35 175.71 2kjk s VAL 4 N -0.65 0.15 0.03 3.17 1.01 -1.26 -5.01 120.40 117.83 2kjk s VAL 4 Ca 0.50 -2.20 -0.25 0.00 0.00 0.00 0.00 61.98 60.03 2kjk s VAL 4 Cb -0.35 -1.09 -0.17 0.00 0.00 0.00 0.00 36.38 34.76 2kjk s VAL 4 CO 0.43 -1.05 1.43 0.74 0.00 0.00 0.00 175.10 176.64 2kjk h THR 5 N 4.77 1.01 -4.01 3.92 2.02 -1.99 -3.44 112.91 115.19 2kjk h THR 5 Ca 0.19 -0.56 -0.51 0.00 0.77 0.00 0.00 66.41 66.31 2kjk h THR 5 Cb 0.95 1.35 0.07 0.00 -1.74 0.00 0.00 68.15 68.78 2kjk h THR 5 CO 0.31 0.13 0.49 -0.72 0.37 0.00 0.00 175.52 176.10 2kjk s TYR 6 N -5.09 2.84 -0.12 3.16 1.13 -1.26 -5.04 117.35 112.97 2kjk s TYR 6 Ca -0.15 1.53 -0.30 0.00 -1.41 0.00 0.00 57.07 56.75 2kjk s TYR 6 Cb 0.03 -3.39 0.09 0.00 -1.10 0.00 0.00 41.96 37.59 2kjk s TYR 6 CO 0.63 -1.57 0.78 0.16 -2.51 0.00 0.00 175.55 173.04 2kjk s ASP 7 N -1.36 -0.59 0.02 -0.18 -4.77 -1.26 -5.17 116.67 103.35 2kjk s ASP 7 Ca 0.64 0.74 0.00 0.00 -3.30 0.00 0.00 52.55 50.63 2kjk s ASP 7 Cb -0.29 0.61 0.00 0.00 -1.09 0.00 0.00 42.92 42.15 2kjk s ASP 7 CO 0.35 -0.48 0.00 0.61 0.70 0.00 0.00 175.17 176.35 2kjk n GLY 8 N 1.15 -2.16 3.43 2.12 0.00 -1.26 -5.02 105.19 103.45 2kjk n GLY 8 Ca -0.16 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2kjk n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kjk s VAL 9 N -0.02 3.27 -0.09 1.61 -7.23 -1.26 -4.97 120.40 111.71 2kjk s VAL 9 Ca 0.00 -0.60 -0.17 0.00 -1.81 0.00 0.00 61.98 59.40 2kjk s VAL 9 Cb 0.00 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 2kjk s VAL 9 CO 0.00 0.54 0.46 -0.31 -0.31 0.00 0.00 175.10 175.47 2kjk s TYR 10 N 0.08 3.56 0.13 2.82 1.51 -1.24 -3.85 117.35 120.37 2kjk s TYR 10 Ca -0.04 0.91 -0.30 0.00 -1.01 0.00 0.00 57.07 56.63 2kjk s TYR 10 Cb -0.14 -2.49 -0.06 0.00 -0.11 0.00 0.00 41.96 39.16 2kjk s TYR 10 CO 0.04 0.28 1.04 0.08 -1.11 0.00 0.00 175.55 175.89 2kjk s VAL 11 N 0.21 4.20 -0.14 0.71 1.01 -1.26 -1.98 120.40 123.15 2kjk s VAL 11 Ca 0.25 1.82 -0.25 0.00 0.00 0.00 0.00 61.98 63.80 2kjk s VAL 11 Cb -0.15 -4.16 -0.22 0.00 0.00 0.00 0.00 36.38 31.84 2kjk s VAL 11 CO 0.11 0.28 0.62 0.25 0.00 0.00 0.00 175.10 176.36 2kjk h LEU 12 N 5.53 0.00 -7.00 3.92 6.46 -0.85 -3.34 115.31 120.04 2kjk h LEU 12 Ca -0.43 -0.84 0.04 0.00 -0.12 0.00 0.00 57.88 56.54 2kjk h LEU 12 Cb 1.21 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 41.00 2kjk h LEU 12 CO 0.73 0.99 0.35 -0.44 -0.62 0.00 0.00 178.44 179.45 2kjk s SER 13 N -6.20 -0.47 -0.12 1.25 0.01 -1.26 -4.96 113.70 101.96 2kjk s SER 13 Ca -0.18 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.08 2kjk s SER 13 Cb -0.02 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 2kjk s SER 13 CO 0.60 -0.79 -0.04 -0.69 0.41 0.00 0.00 173.24 172.73 2kjk s VAL 14 N -3.39 3.88 0.29 3.43 1.01 -1.26 -3.89 120.40 120.48 2kjk s VAL 14 Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2kjk s VAL 14 Cb -0.01 -2.65 0.15 0.00 0.00 0.00 0.00 36.38 33.87 2kjk s VAL 14 CO -0.11 0.55 1.83 0.11 0.00 0.00 0.00 175.10 177.48 2kjk h LYS 15 N 5.99 0.77 -0.72 2.72 6.56 -1.96 -3.47 116.57 126.47 2kjk h LYS 15 Ca -0.40 -0.16 -0.14 0.00 -1.06 0.00 0.00 60.65 58.89 2kjk h LYS 15 Cb 1.19 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.70 2kjk h LYS 15 CO 0.58 0.71 -0.16 0.39 -2.06 0.00 0.00 179.45 178.92 2kjk n GLU 16 N -4.27 -0.53 -2.11 3.15 1.02 -1.26 -4.90 120.64 111.74 2kjk n GLU 16 Ca 0.03 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2kjk n GLU 16 Cb 0.23 -4.35 0.04 0.00 -0.02 0.00 0.00 31.44 27.34 2kjk n GLU 16 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kjk n ASP 17 N 0.76 0.57 -3.91 1.62 2.03 -1.26 -5.00 116.55 111.35 2kjk n ASP 17 Ca -0.08 -2.04 -0.09 0.00 0.52 0.00 0.00 54.79 53.10 2kjk n ASP 17 Cb 0.43 -0.14 -0.08 0.00 -0.72 0.00 0.00 41.12 40.61 2kjk n ASP 17 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2kjk s VAL 18 N -1.40 0.15 0.07 5.18 -7.23 -1.26 -5.02 120.40 110.89 2kjk s VAL 18 Ca 0.23 -1.22 0.12 0.00 -1.81 0.00 0.00 61.98 59.30 2kjk s VAL 18 Cb 0.32 -1.21 0.12 0.00 0.56 0.00 0.00 36.38 36.18 2kjk s VAL 18 CO -0.09 -0.67 1.27 1.55 -0.31 0.00 0.00 175.10 176.84 2kjk h PRO 19 N 3.12 0.00 -0.37 4.82 0.13 -1.91 0.45 132.00 138.24 2kjk h PRO 19 Ca -0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2kjk h PRO 19 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2kjk h PRO 19 CO 0.55 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.31 2kjk h ALA 20 N 1.09 1.28 -2.62 -0.56 0.00 -1.93 -3.42 119.26 113.09 2kjk h ALA 20 Ca 0.00 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.16 2kjk h ALA 20 Cb 0.69 -0.16 0.05 0.00 0.00 0.00 0.00 17.79 18.37 2kjk h ALA 20 CO 0.00 0.49 0.94 0.00 0.00 0.00 0.00 179.25 180.68 2kjk s ALA 21 N -4.94 3.84 0.00 0.00 0.00 0.15 -1.61 121.76 119.20 2kjk s ALA 21 Ca -0.08 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2kjk s ALA 21 Cb 0.15 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2kjk s ALA 21 CO 0.78 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2kjk n GLY 22 N 3.87 0.91 0.81 0.00 0.00 -1.26 -4.84 105.19 104.67 2kjk n GLY 22 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 2kjk n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kjk n ILE 23 N -2.00 0.40 -4.26 -0.61 5.41 -0.70 -5.07 119.36 112.53 2kjk n ILE 23 Ca 0.00 -0.06 -0.27 0.00 1.00 0.00 0.00 62.75 63.42 2kjk n ILE 23 Cb 0.00 -1.60 -0.09 0.00 -0.71 0.00 0.00 39.64 37.24 2kjk n ILE 23 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2kjk s LEU 24 N -6.39 3.04 0.05 1.39 1.43 -0.63 -5.02 118.68 112.55 2kjk s LEU 24 Ca -0.09 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 2kjk s LEU 24 Cb 0.03 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2kjk s LEU 24 CO 0.11 0.12 0.10 -1.00 0.23 0.00 0.00 176.35 175.91 2kjk s HIS 25 N -1.61 0.23 0.34 0.29 3.76 -1.26 -4.70 115.29 112.35 2kjk s HIS 25 Ca 0.25 -0.61 -0.28 0.00 -0.15 0.00 0.00 55.06 54.27 2kjk s HIS 25 Cb -0.09 -0.16 -0.12 0.00 1.11 0.00 0.00 32.58 33.32 2kjk s HIS 25 CO 0.15 -0.42 1.25 0.00 -0.85 0.00 0.00 174.74 174.87 2kjk n ALA 26 N 0.44 1.09 -0.23 -1.40 0.00 -1.26 -1.99 120.51 117.17 2kjk n ALA 26 Ca -0.17 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2kjk n ALA 26 Cb 0.60 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2kjk n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kjk n GLY 27 N 0.83 0.93 3.69 0.00 0.00 -1.25 -5.01 105.19 104.38 2kjk n GLY 27 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2kjk n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjk s ASP 28 N -2.92 6.72 -0.25 1.61 1.11 -0.84 -4.81 116.67 117.30 2kjk s ASP 28 Ca 0.00 2.30 -0.14 0.00 0.18 0.00 0.00 52.55 54.89 2kjk s ASP 28 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2kjk s ASP 28 CO 0.00 -0.81 0.32 -0.76 1.18 0.00 0.00 175.17 175.10 2kjk s LEU 29 N 2.60 4.08 -0.32 1.23 1.43 -1.15 -4.06 118.68 122.49 2kjk s LEU 29 Ca 0.69 0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 53.81 2kjk s LEU 29 Cb -0.36 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.52 2kjk s LEU 29 CO 0.29 -0.10 0.92 -0.63 0.23 0.00 0.00 176.35 177.07 2kjk s ILE 30 N 1.66 4.65 -0.12 -0.59 -1.09 -1.25 -0.70 121.20 123.75 2kjk s ILE 30 Ca 0.14 1.41 -0.06 0.00 -2.23 0.00 0.00 60.65 59.90 2kjk s ILE 30 Cb -0.15 -4.28 -0.26 0.00 -1.58 0.00 0.00 42.46 36.19 2kjk s ILE 30 CO 0.09 -0.38 0.36 0.35 -1.23 0.00 0.00 174.94 174.12 2kjk n THR 31 N 5.72 1.77 -3.83 2.92 -2.24 -1.02 -4.38 114.28 113.22 2kjk n THR 31 Ca 0.07 -0.66 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 2kjk n THR 31 Cb 0.48 -1.71 -0.10 0.00 -2.10 0.00 0.00 70.33 66.90 2kjk n THR 31 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kjk s GLU 32 N -2.56 0.51 -0.07 -0.78 2.56 -1.16 -5.00 118.70 112.21 2kjk s GLU 32 Ca -0.22 -0.26 0.02 0.00 0.00 0.00 0.00 54.97 54.51 2kjk s GLU 32 Cb 0.07 0.22 0.02 0.00 2.00 0.00 0.00 34.13 36.43 2kjk s GLU 32 CO 0.77 -0.13 -0.11 0.42 -0.56 0.00 0.00 175.26 175.65 2kjk s ILE 33 N -1.19 1.04 -0.29 -3.70 1.01 -1.26 -3.00 121.20 113.81 2kjk s ILE 33 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2kjk s ILE 33 Cb -0.06 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.43 2kjk s ILE 33 CO 0.02 0.34 0.00 -0.67 0.00 0.00 0.00 174.94 174.63 2kjk n ASP 34 N 3.97 -1.68 -0.91 3.58 2.03 -1.14 -0.02 116.55 122.38 2kjk n ASP 34 Ca -0.22 0.07 -0.12 0.00 0.52 0.00 0.00 54.79 55.04 2kjk n ASP 34 Cb 0.51 -1.55 -0.05 0.00 -0.72 0.00 0.00 41.12 39.31 2kjk n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kjk n GLY 35 N 0.11 1.24 3.13 0.27 0.00 -1.26 -4.97 105.19 103.72 2kjk n GLY 35 Ca -0.03 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2kjk n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kjk s GLN 36 N -2.88 0.82 4.00 1.61 -0.21 0.97 -5.03 119.66 118.94 2kjk s GLN 36 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.01 2kjk s GLN 36 Cb 0.00 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.20 2kjk s GLN 36 CO 0.00 -0.19 0.00 0.45 -2.12 0.00 0.00 175.29 173.43 2kjk n SER 37 N -0.03 0.00 -0.38 5.90 2.88 -1.26 -4.36 113.62 116.37 2kjk n SER 37 Ca -0.09 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.44 2kjk n SER 37 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.08 2kjk n SER 37 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2kjk n PHE 38 N 0.00 -0.26 0.95 0.66 1.16 -1.26 -4.66 117.46 114.05 2kjk n PHE 38 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.68 2kjk n PHE 38 Cb 0.00 -1.09 0.31 0.00 -1.61 0.00 0.00 39.48 37.09 2kjk n PHE 38 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 2kjk n LYS 39 N -0.28 1.93 -3.57 3.97 2.85 -1.26 -4.91 118.16 116.89 2kjk n LYS 39 Ca -0.02 -1.41 -0.10 0.00 -1.05 0.00 0.00 58.31 55.73 2kjk n LYS 39 Cb 0.13 -1.41 -0.05 0.00 -0.65 0.00 0.00 35.03 33.05 2kjk n LYS 39 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2kjk s SER 40 N -1.47 -0.34 0.16 -5.58 0.15 -1.26 -5.03 113.70 100.33 2kjk s SER 40 Ca 0.33 0.33 0.02 0.00 0.70 0.00 0.00 55.95 57.33 2kjk s SER 40 Cb 0.18 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.77 2kjk s SER 40 CO 0.26 -0.35 1.38 0.28 1.20 0.00 0.00 173.24 176.01 2kjk h SER 41 N 2.45 0.28 -0.05 5.45 0.02 -1.95 -3.25 113.55 116.49 2kjk h SER 41 Ca -0.18 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 2kjk h SER 41 Cb 1.17 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.63 2kjk h SER 41 CO 0.30 1.02 -0.39 -0.61 -1.14 0.00 0.00 176.83 176.01 2kjk h GLN 42 N 0.12 0.36 -0.03 3.45 -0.00 -2.01 -3.13 115.11 113.87 2kjk h GLN 42 Ca -0.05 -0.31 0.01 0.00 -0.00 0.00 0.00 58.65 58.30 2kjk h GLN 42 Cb 1.50 0.07 -0.00 0.00 0.00 0.00 0.00 27.48 29.05 2kjk h GLN 42 CO 0.13 0.97 0.18 0.93 0.00 0.00 0.00 178.83 181.04 2kjk h GLU 43 N -0.14 0.00 0.09 1.69 4.39 -1.97 -1.65 114.58 116.99 2kjk h GLU 43 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kjk h GLU 43 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2kjk h GLU 43 CO 0.08 0.00 -0.04 0.35 -1.16 0.00 0.00 179.01 178.24 2kjk h PHE 44 N 0.00 -0.11 -0.67 4.33 3.57 -1.58 -2.31 116.94 120.17 2kjk h PHE 44 Ca 0.01 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.68 2kjk h PHE 44 Cb 0.37 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2kjk h PHE 44 CO 0.00 0.40 0.46 0.82 -2.23 0.00 0.00 178.31 177.77 2kjk h ILE 45 N -0.72 0.74 -0.06 1.41 5.03 -1.38 0.32 117.51 122.83 2kjk h ILE 45 Ca -0.01 -0.06 -0.15 0.00 -0.12 0.00 0.00 64.86 64.52 2kjk h ILE 45 Cb 0.56 0.55 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 2kjk h ILE 45 CO 0.02 0.03 -0.61 0.44 -0.68 0.00 0.00 178.15 177.35 2kjk h ASP 46 N 0.17 0.25 0.14 1.72 3.32 -1.40 -3.18 116.42 117.44 2kjk h ASP 46 Ca 0.32 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2kjk h ASP 46 Cb 1.03 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2kjk h ASP 46 CO -0.05 0.80 -0.07 0.22 -1.72 0.00 0.00 179.24 178.42 2kjk h TYR 47 N 0.16 -0.18 -0.29 4.55 3.20 0.20 0.45 116.97 125.07 2kjk h TYR 47 Ca -0.01 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.94 2kjk h TYR 47 Cb 1.11 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2kjk h TYR 47 CO 0.02 0.23 0.32 0.82 -1.64 0.00 0.00 178.16 177.91 2kjk h ILE 48 N -0.65 0.42 0.00 1.81 2.04 -1.52 0.47 117.51 120.08 2kjk h ILE 48 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kjk h ILE 48 Cb 0.49 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2kjk h ILE 48 CO 0.03 0.00 -1.28 1.41 0.00 0.00 0.00 178.15 178.31 2kjk n HIS 49 N -3.75 0.47 0.27 1.37 8.25 -1.16 -4.12 115.22 116.54 2kjk n HIS 49 Ca 0.04 0.14 0.15 0.00 -0.26 0.00 0.00 57.72 57.79 2kjk n HIS 49 Cb 0.46 -0.65 0.75 0.00 1.12 0.00 0.00 29.99 31.67 2kjk n HIS 49 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2kjk h SER 50 N 0.00 0.00 -2.86 0.41 0.87 0.23 -3.44 113.55 108.76 2kjk h SER 50 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kjk h SER 50 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2kjk h SER 50 CO 0.00 0.08 0.00 0.29 -0.53 0.00 0.00 176.83 176.67 2kjk n LYS 51 N -3.34 0.67 -4.54 2.24 4.76 -1.18 -5.08 118.16 111.68 2kjk n LYS 51 Ca -0.01 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.18 2kjk n LYS 51 Cb 0.26 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.34 2kjk n LYS 51 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kjk s LYS 52 N -2.10 1.81 0.25 1.97 3.01 -1.26 -4.81 119.74 118.61 2kjk s LYS 52 Ca 0.00 -1.99 -0.30 0.00 -1.01 0.00 0.00 55.97 52.67 2kjk s LYS 52 Cb 0.00 -1.43 -0.10 0.00 -1.01 0.00 0.00 37.83 35.29 2kjk s LYS 52 CO 0.00 -0.03 1.44 0.08 0.51 0.00 0.00 175.35 177.35 2kjk s VAL 53 N -2.85 2.64 0.00 3.17 1.01 -1.26 -2.20 120.40 120.91 2kjk s VAL 53 Ca 0.34 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2kjk s VAL 53 Cb 0.07 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2kjk s VAL 53 CO 0.16 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2kjk n GLY 54 N 2.18 0.92 3.78 4.51 0.00 -0.10 -4.98 105.19 111.51 2kjk n GLY 54 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2kjk n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjk s ASP 55 N -3.03 6.47 0.32 1.61 2.15 -0.93 -4.67 116.67 118.59 2kjk s ASP 55 Ca 0.00 2.09 -0.14 0.00 0.43 0.00 0.00 52.55 54.93 2kjk s ASP 55 Cb 0.00 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 39.95 2kjk s ASP 55 CO 0.00 -0.70 0.71 0.42 -0.17 0.00 0.00 175.17 175.44 2kjk s THR 56 N -1.71 4.72 0.08 1.71 -4.23 -1.26 -0.25 115.64 114.70 2kjk s THR 56 Ca 0.62 0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 61.96 2kjk s THR 56 Cb -0.22 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 2kjk s THR 56 CO 0.28 -0.19 0.06 0.54 -0.54 0.00 0.00 174.62 174.76 2kjk s VAL 57 N -1.99 0.17 -0.20 2.29 0.11 -1.05 -4.91 120.40 114.82 2kjk s VAL 57 Ca 0.53 -1.68 0.01 0.00 -2.93 0.00 0.00 61.98 57.91 2kjk s VAL 57 Cb -0.10 -1.62 0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2kjk s VAL 57 CO 0.19 -0.76 -0.11 -0.54 -3.33 0.00 0.00 175.10 170.55 2kjk s LYS 58 N -3.94 2.14 -0.08 1.54 1.02 -1.26 -2.83 119.74 116.32 2kjk s LYS 58 Ca 0.11 -0.90 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 2kjk s LYS 58 Cb 0.07 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 2kjk s LYS 58 CO -0.07 -0.43 0.00 0.42 -0.92 0.00 0.00 175.35 174.36 2kjk s ILE 59 N 1.35 4.32 -0.14 2.17 -1.09 -0.79 -2.88 121.20 124.14 2kjk s ILE 59 Ca -0.02 -0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 58.14 2kjk s ILE 59 Cb -0.16 -2.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2kjk s ILE 59 CO -0.08 0.60 -0.02 -0.75 -1.23 0.00 0.00 174.94 173.46 2kjk s LYS 60 N -0.91 1.06 0.13 2.79 2.20 -1.16 -2.59 119.74 121.26 2kjk s LYS 60 Ca 0.13 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.39 2kjk s LYS 60 Cb -0.11 -1.72 -0.03 0.00 -1.51 0.00 0.00 37.83 34.46 2kjk s LYS 60 CO 0.03 -0.43 0.13 1.52 -0.36 0.00 0.00 175.35 176.24 2kjk s TYR 61 N 1.78 0.61 -0.18 4.03 -0.85 -1.12 -2.45 117.35 119.17 2kjk s TYR 61 Ca 0.02 -1.00 -0.00 0.00 -0.52 0.00 0.00 57.07 55.57 2kjk s TYR 61 Cb -0.15 -0.29 0.04 0.00 0.38 0.00 0.00 41.96 41.94 2kjk s TYR 61 CO -0.07 -0.57 -0.07 0.21 -1.52 0.00 0.00 175.55 173.53 2kjk s LYS 62 N -3.99 1.65 -0.43 -3.49 2.20 0.12 -2.54 119.74 113.27 2kjk s LYS 62 Ca 0.18 -0.64 -0.15 0.00 -0.36 0.00 0.00 55.97 54.99 2kjk s LYS 62 Cb 0.06 -2.17 0.03 0.00 -1.51 0.00 0.00 37.83 34.24 2kjk s LYS 62 CO -0.01 -0.44 0.33 -1.58 -0.36 0.00 0.00 175.35 173.29 2kjk s HIS 63 N 1.54 3.24 0.00 4.03 5.65 -1.05 -2.93 115.29 125.77 2kjk s HIS 63 Ca -0.00 -0.68 0.00 0.00 0.25 0.00 0.00 55.06 54.63 2kjk s HIS 63 Cb -0.16 -2.76 0.00 0.00 -1.18 0.00 0.00 32.58 28.49 2kjk s HIS 63 CO -0.08 -0.65 0.00 0.41 -0.65 0.00 0.00 174.74 173.77 2kjk n GLY 64 N 5.17 2.10 0.00 1.59 0.00 -1.26 -3.03 105.19 109.76 2kjk n GLY 64 Ca -0.11 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.75 2kjk n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kjk n ASN 65 N 9.87 0.61 -4.78 1.61 6.94 -1.26 -5.00 115.26 123.25 2kjk n ASN 65 Ca 0.00 -0.61 -0.36 0.00 -0.02 0.00 0.00 54.58 53.59 2kjk n ASN 65 Cb 0.00 1.03 -0.07 0.00 -2.36 0.00 0.00 39.78 38.38 2kjk n ASN 65 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2kjk s LYS 66 N -1.76 3.94 -0.18 -3.83 -2.85 -1.17 -5.09 119.74 108.79 2kjk s LYS 66 Ca 0.02 -0.12 -0.13 0.00 -1.00 0.00 0.00 55.97 54.74 2kjk s LYS 66 Cb 0.05 -3.34 -0.05 0.00 -2.06 0.00 0.00 37.83 32.44 2kjk s LYS 66 CO 0.30 0.47 0.26 0.54 0.10 0.00 0.00 175.35 177.02 2kjk s ASN 67 N -0.15 6.35 0.10 0.03 2.20 -1.26 -2.54 114.94 119.66 2kjk s ASN 67 Ca 0.12 0.41 0.04 0.00 -0.94 0.00 0.00 52.86 52.48 2kjk s ASN 67 Cb -0.12 -2.16 -0.04 0.00 -2.00 0.00 0.00 41.25 36.94 2kjk s ASN 67 CO 0.01 0.09 -0.10 -1.61 -2.94 0.00 0.00 177.10 172.55 2kjk s GLU 68 N 0.63 0.84 -0.01 3.55 2.02 -1.05 -5.03 118.70 119.65 2kjk s GLU 68 Ca 0.14 -1.14 -0.01 0.00 0.02 0.00 0.00 54.97 53.98 2kjk s GLU 68 Cb -0.13 -0.54 0.01 0.00 0.10 0.00 0.00 34.13 33.57 2kjk s GLU 68 CO 0.03 0.09 0.03 -1.83 0.02 0.00 0.00 175.26 173.60 2kjk s GLU 69 N -2.73 0.02 0.01 1.61 -1.05 -1.26 -2.78 118.70 112.52 2kjk s GLU 69 Ca 0.05 0.07 -0.10 0.00 -0.15 0.00 0.00 54.97 54.84 2kjk s GLU 69 Cb -0.03 -0.03 0.01 0.00 -0.44 0.00 0.00 34.13 33.63 2kjk s GLU 69 CO 0.00 -0.04 0.21 0.00 0.95 0.00 0.00 175.26 176.39 2kjk s ALA 70 N 0.22 -0.49 -0.15 -0.84 0.00 -1.07 -5.03 121.76 114.40 2kjk s ALA 70 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 2kjk s ALA 70 Cb -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2kjk s ALA 70 CO -0.01 -0.27 0.08 -1.12 0.00 0.00 0.00 175.76 174.45 2kjk s SER 71 N -1.57 5.85 -0.00 0.00 0.01 -1.26 -1.89 113.70 114.84 2kjk s SER 71 Ca -0.12 0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.37 2kjk s SER 71 Cb -0.05 -1.94 -0.00 0.00 0.21 0.00 0.00 66.02 64.24 2kjk s SER 71 CO 0.01 0.27 -0.06 -0.63 0.41 0.00 0.00 173.24 173.24 2kjk s ILE 72 N -0.18 0.44 0.22 1.44 1.01 -1.13 -4.96 121.20 118.05 2kjk s ILE 72 Ca 0.08 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 2kjk s ILE 72 Cb -0.12 -0.37 -0.09 0.00 0.01 0.00 0.00 42.46 41.89 2kjk s ILE 72 CO 0.01 0.13 0.84 -1.59 0.00 0.00 0.00 174.94 174.33 2kjk s LYS 73 N -0.12 4.60 0.40 2.79 -2.85 -1.26 -2.52 119.74 120.77 2kjk s LYS 73 Ca 0.02 1.24 -0.26 0.00 -1.00 0.00 0.00 55.97 55.97 2kjk s LYS 73 Cb -0.02 -3.12 -0.09 0.00 -2.06 0.00 0.00 37.83 32.54 2kjk s LYS 73 CO -0.00 0.48 1.22 -0.51 0.10 0.00 0.00 175.35 176.64 2kjk s LEU 74 N -1.45 4.21 0.14 2.77 2.01 0.65 -4.87 118.68 122.14 2kjk s LEU 74 Ca 0.41 2.47 0.01 0.00 0.01 0.00 0.00 54.13 57.03 2kjk s LEU 74 Cb -0.22 -3.96 -0.04 0.00 0.01 0.00 0.00 46.19 41.97 2kjk s LEU 74 CO 0.26 -0.74 -0.01 0.42 1.01 0.00 0.00 176.35 177.30 2kjk s THR 75 N -1.34 0.56 -0.14 5.49 -4.23 -0.93 -0.92 115.64 114.12 2kjk s THR 75 Ca 0.57 -1.94 -0.29 0.00 -1.18 0.00 0.00 61.69 58.84 2kjk s THR 75 Cb -0.34 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 2kjk s THR 75 CO 0.43 -0.63 1.09 0.00 -0.54 0.00 0.00 174.62 174.97 2kjk s ALA 76 N -3.73 3.55 -0.22 3.99 0.00 -1.26 -0.39 121.76 123.70 2kjk s ALA 76 Ca 0.19 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 2kjk s ALA 76 Cb 0.06 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 2kjk s ALA 76 CO 0.00 -0.86 -0.19 0.44 0.00 0.00 0.00 175.76 175.15 2kjk n ILE 77 N 4.93 1.51 -2.93 0.00 -5.35 -1.21 -4.95 119.36 111.36 2kjk n ILE 77 Ca 0.11 -0.10 -0.18 0.00 -0.27 0.00 0.00 62.75 62.30 2kjk n ILE 77 Cb 0.47 -2.09 0.02 0.00 -1.74 0.00 0.00 39.64 36.30 2kjk n ILE 77 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2kjk s ASP 78 N -6.77 5.58 0.58 7.28 2.15 -1.26 -5.00 116.67 119.23 2kjk s ASP 78 Ca -0.31 -0.29 0.32 0.00 0.43 0.00 0.00 52.55 52.70 2kjk s ASP 78 Cb 0.09 -0.76 1.82 0.00 -0.30 0.00 0.00 42.92 43.77 2kjk s ASP 78 CO 0.47 -0.85 2.22 0.11 -0.17 0.00 0.00 175.17 176.95 2kjk h LYS 79 N 0.50 0.00 0.00 4.34 1.79 -1.98 -1.55 116.57 119.66 2kjk h LYS 79 Ca -0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2kjk h LYS 79 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2kjk h LYS 79 CO 0.48 0.04 0.00 1.57 -1.08 0.00 0.00 179.45 180.45 2kjk h LYS 80 N 0.00 0.00 -0.86 3.15 2.10 -2.01 -3.47 116.57 115.48 2kjk h LYS 80 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kjk h LYS 80 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2kjk h LYS 80 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 2kjk n GLY 81 N 0.96 0.96 3.66 0.07 0.00 -0.58 -5.03 105.19 105.22 2kjk n GLY 81 Ca 0.04 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 2kjk n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kjk s THR 82 N -2.85 4.72 0.15 2.61 2.01 -1.26 -4.90 115.64 116.13 2kjk s THR 82 Ca 0.00 1.92 -0.34 0.00 0.31 0.00 0.00 61.69 63.58 2kjk s THR 82 Cb 0.00 -4.26 -0.15 0.00 0.01 0.00 0.00 72.50 68.10 2kjk s THR 82 CO 0.00 -0.15 1.46 -2.65 -0.69 0.00 0.00 174.62 172.59 2kjk n PRO 83 N 6.21 1.79 -3.55 4.92 -0.02 -1.26 -3.32 135.00 139.76 2kjk n PRO 83 Ca 0.10 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 2kjk n PRO 83 Cb 0.46 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 2kjk n PRO 83 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kjk s GLY 84 N 0.65 -0.34 -0.18 -1.23 0.00 0.48 -4.25 107.32 102.44 2kjk s GLY 84 Ca 0.79 1.60 0.04 0.00 0.00 0.00 0.00 44.72 47.15 2kjk s GLY 84 CO 0.43 0.71 1.32 1.39 0.00 0.00 0.00 173.10 176.95 2kjk n ILE 85 N 0.26 1.81 -3.57 0.90 5.41 -1.26 -2.19 119.36 120.71 2kjk n ILE 85 Ca -0.08 -0.84 -0.24 0.00 1.00 0.00 0.00 62.75 62.59 2kjk n ILE 85 Cb 0.59 -0.62 0.03 0.00 -0.71 0.00 0.00 39.64 38.94 2kjk n ILE 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kjk n GLY 86 N -0.08 -1.11 3.30 7.39 0.00 -1.26 -4.50 105.19 108.93 2kjk n GLY 86 Ca 0.23 0.49 -0.09 0.00 0.00 0.00 0.00 46.02 46.65 2kjk n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kjk s ILE 87 N -3.29 0.08 -0.08 -0.61 -4.36 -1.26 -4.06 121.20 107.62 2kjk s ILE 87 Ca 0.31 -1.42 0.01 0.00 -0.26 0.00 0.00 60.65 59.28 2kjk s ILE 87 Cb -0.10 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 41.82 2kjk s ILE 87 CO 0.84 -0.36 -0.08 -0.89 0.24 0.00 0.00 174.94 174.69 2kjk s THR 88 N -3.96 0.95 -0.11 8.37 2.01 -1.25 -5.06 115.64 116.58 2kjk s THR 88 Ca 0.16 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2kjk s THR 88 Cb 0.04 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 2kjk s THR 88 CO -0.01 0.33 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.41 2kjk s LEU 89 N 1.18 3.07 -0.20 4.42 1.43 -1.26 -0.10 118.68 127.22 2kjk s LEU 89 Ca -0.05 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.75 2kjk s LEU 89 Cb -0.14 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.44 2kjk s LEU 89 CO -0.02 0.26 0.53 0.68 0.23 0.00 0.00 176.35 178.03 2kjk s VAL 90 N -0.19 -0.00 0.00 -1.59 -7.23 -0.84 -4.95 120.40 105.60 2kjk s VAL 90 Ca 0.02 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2kjk s VAL 90 Cb -0.13 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.06 2kjk s VAL 90 CO 0.03 0.01 0.04 0.47 -0.31 0.00 0.00 175.10 175.34 2kjk n ASP 91 N 3.18 0.00 -2.16 4.85 8.00 -1.26 -3.59 116.55 125.56 2kjk n ASP 91 Ca -0.16 0.04 -0.01 0.00 0.71 0.00 0.00 54.79 55.37 2kjk n ASP 91 Cb 0.56 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.73 2kjk n ASP 91 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kjk n ASP 92 N -0.20 -0.83 -3.19 -2.24 2.03 -1.26 -3.75 116.55 107.11 2kjk n ASP 92 Ca 0.00 -1.67 -0.07 0.00 0.52 0.00 0.00 54.79 53.57 2kjk n ASP 92 Cb 0.00 0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2kjk n ASP 92 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kjk n LEU 93 N -0.78 -5.85 -3.76 -2.67 4.77 -1.26 -5.02 117.00 102.43 2kjk n LEU 93 Ca -0.10 -0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.42 2kjk n LEU 93 Cb 0.70 -2.95 -0.16 0.00 -2.33 0.00 0.00 43.42 38.68 2kjk n LEU 93 CO -0.08 -0.94 -0.37 -1.61 -1.33 0.00 0.00 177.39 173.05 2kjk s GLU 94 N -3.31 0.79 0.21 3.23 2.02 -1.26 -4.99 118.70 115.40 2kjk s GLU 94 Ca 0.04 -0.62 0.23 0.00 0.02 0.00 0.00 54.97 54.64 2kjk s GLU 94 Cb -0.01 -2.14 0.13 0.00 0.10 0.00 0.00 34.13 32.21 2kjk s GLU 94 CO 0.78 -0.70 1.18 0.45 0.02 0.00 0.00 175.26 177.00 2kjk h HIS 95 N 8.18 0.00 -3.06 1.61 3.86 -2.07 -3.46 115.15 120.21 2kjk h HIS 95 Ca -0.16 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.51 2kjk h HIS 95 Cb 1.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.57 2kjk h HIS 95 CO 0.33 0.00 0.68 -1.01 0.86 0.00 0.00 177.93 178.79 2kjk s HIS 96 N -3.29 3.24 0.00 2.45 3.76 -1.26 -4.83 115.29 115.35 2kjk s HIS 96 Ca 0.02 1.07 0.00 0.00 -0.15 0.00 0.00 55.06 56.00 2kjk s HIS 96 Cb 0.10 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.22 2kjk s HIS 96 CO 0.76 -1.94 0.55 1.58 -0.85 0.00 0.00 174.74 174.84 2kjk n HIS 97 N 4.28 0.00 -0.24 1.40 -0.00 -1.26 -4.99 115.22 114.41 2kjk n HIS 97 Ca 0.11 -0.26 -0.07 0.00 0.46 0.00 0.00 57.72 57.95 2kjk n HIS 97 Cb 0.44 0.38 0.04 0.00 -0.12 0.00 0.00 29.99 30.73 2kjk n HIS 97 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kjk h HIS 98 N 0.00 1.13 -1.81 1.57 3.86 -2.03 -3.45 115.15 114.42 2kjk h HIS 98 Ca -0.30 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2kjk h HIS 98 Cb 0.98 -0.32 -0.22 0.00 1.06 0.00 0.00 27.41 28.91 2kjk h HIS 98 CO -0.11 0.92 0.30 -1.58 0.86 0.00 0.00 177.93 178.32 2kjk s HIS 99 N -5.33 -0.61 0.00 2.45 5.65 -1.26 -5.35 115.29 110.84 2kjk s HIS 99 Ca -0.12 1.35 0.00 0.00 0.25 0.00 0.00 55.06 56.54 2kjk s HIS 99 Cb 0.14 0.35 0.00 0.00 -1.18 0.00 0.00 32.58 31.89 2kjk s HIS 99 CO 0.84 -0.37 0.00 1.58 -0.65 0.00 0.00 174.74 176.13