#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjk n VAL 2 N 0.00-10.03 -4.17 1.12 0.31 -1.26 -5.06 118.33 99.23 2kjk n VAL 2 Ca 0.00 2.15 -0.11 0.00 -0.01 0.00 0.00 64.34 66.37 2kjk n VAL 2 Cb 0.00 -5.51 -0.10 0.00 -0.91 0.00 0.00 33.84 27.32 2kjk n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2kjk s LYS 3 N -0.49 0.87 0.35 5.55 1.02 -1.26 -5.05 119.74 120.72 2kjk s LYS 3 Ca -0.20 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 54.44 2kjk s LYS 3 Cb 0.01 -0.15 0.62 0.00 -0.52 0.00 0.00 37.83 37.80 2kjk s LYS 3 CO 0.55 -0.06 2.00 -0.24 -0.92 0.00 0.00 175.35 176.68 2kjk h VAL 4 N 2.93 1.17 -4.23 3.17 3.04 -2.05 -3.43 116.25 116.85 2kjk h VAL 4 Ca -0.35 -0.33 -0.51 0.00 -1.01 0.00 0.00 66.70 64.49 2kjk h VAL 4 Cb 1.17 0.26 0.12 0.00 -2.01 0.00 0.00 31.29 30.83 2kjk h VAL 4 CO 0.64 0.17 0.36 -0.89 -1.01 0.00 0.00 177.57 176.84 2kjk s THR 5 N -5.69 3.16 0.00 3.17 2.01 -1.26 -5.04 115.64 111.99 2kjk s THR 5 Ca -0.10 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.40 2kjk s THR 5 Cb 0.17 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.69 2kjk s THR 5 CO 0.77 -0.37 0.00 -1.22 -0.69 0.00 0.00 174.62 173.10 2kjk n TYR 6 N -2.75 0.00 0.00 4.92 4.01 -1.26 -5.09 117.16 116.99 2kjk n TYR 6 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2kjk n TYR 6 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2kjk n TYR 6 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2kjk n ASP 7 N 0.00 0.00 0.00 7.72 2.03 -1.26 -4.98 116.55 120.05 2kjk n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kjk n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kjk n ASP 7 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kjk n GLY 8 N 0.55 -0.08 2.98 0.27 0.00 -1.26 -4.95 105.19 102.70 2kjk n GLY 8 Ca 0.00 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.03 1.05 -0.14 1.61 -7.23 -1.26 -4.75 120.40 106.65 2kjk s VAL 9 Ca 0.00 -0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 59.58 2kjk s VAL 9 Cb 0.00 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 2kjk s VAL 9 CO 0.00 0.35 0.52 -0.31 -0.31 0.00 0.00 175.10 175.35 2kjk s TYR 10 N 0.95 3.47 0.16 2.82 2.02 -1.24 -3.44 117.35 122.09 2kjk s TYR 10 Ca -0.09 0.89 -0.30 0.00 -0.37 0.00 0.00 57.07 57.20 2kjk s TYR 10 Cb -0.15 -2.63 -0.07 0.00 -0.40 0.00 0.00 41.96 38.71 2kjk s TYR 10 CO 0.00 0.06 1.08 0.08 -1.57 0.00 0.00 175.55 175.20 2kjk s VAL 11 N 1.03 4.01 -0.12 0.71 1.01 -1.20 -2.13 120.40 123.70 2kjk s VAL 11 Ca 0.27 1.70 -0.26 0.00 0.00 0.00 0.00 61.98 63.69 2kjk s VAL 11 Cb -0.15 -4.09 -0.23 0.00 0.00 0.00 0.00 36.38 31.91 2kjk s VAL 11 CO 0.11 0.28 0.75 0.25 0.00 0.00 0.00 175.10 176.48 2kjk h LEU 12 N 5.29 -0.01 -7.14 3.92 6.46 -0.62 -1.66 115.31 121.55 2kjk h LEU 12 Ca -0.44 -0.84 -0.06 0.00 -0.12 0.00 0.00 57.88 56.43 2kjk h LEU 12 Cb 1.21 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.97 2kjk h LEU 12 CO 0.73 0.88 0.08 -0.94 -0.62 0.00 0.00 178.44 178.57 2kjk s SER 13 N -6.08 -0.50 -0.09 1.25 1.04 -1.26 -4.62 113.70 103.43 2kjk s SER 13 Ca -0.17 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2kjk s SER 13 Cb -0.02 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 2kjk s SER 13 CO 0.62 -0.69 -0.09 -0.69 0.98 0.00 0.00 173.24 173.37 2kjk s VAL 14 N -2.07 3.49 -0.25 5.02 1.01 -1.26 -3.93 120.40 122.41 2kjk s VAL 14 Ca -0.07 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 2kjk s VAL 14 Cb -0.01 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2kjk s VAL 14 CO 0.02 0.56 0.33 -0.54 0.00 0.00 0.00 175.10 175.47 2kjk s LYS 15 N -0.36 4.05 -1.42 2.72 1.02 -1.24 -4.99 119.74 119.51 2kjk s LYS 15 Ca 0.05 -0.00 -0.09 0.00 0.02 0.00 0.00 55.97 55.95 2kjk s LYS 15 Cb -0.12 -3.62 0.06 0.00 -0.52 0.00 0.00 37.83 33.62 2kjk s LYS 15 CO 0.02 -0.17 2.44 -0.85 -0.92 0.00 0.00 175.35 175.87 2kjk n GLU 16 N 4.99 3.91 -0.77 1.68 0.00 -1.26 -3.87 120.64 125.32 2kjk n GLU 16 Ca -0.10 -2.98 -0.04 0.00 0.00 0.00 0.00 57.16 54.04 2kjk n GLU 16 Cb 0.51 -2.83 -0.04 0.00 0.00 0.00 0.00 31.44 29.08 2kjk n GLU 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2kjk n ASP 17 N 3.27 -0.59 -3.98 -1.84 2.03 -1.26 -5.06 116.55 109.12 2kjk n ASP 17 Ca 0.62 -1.42 -0.08 0.00 0.52 0.00 0.00 54.79 54.42 2kjk n ASP 17 Cb 0.28 0.18 -0.09 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.00 0.17 0.59 5.18 -7.23 -1.25 -5.04 120.40 112.82 2kjk s VAL 18 Ca 0.00 -1.50 0.29 0.00 -1.81 0.00 0.00 61.98 58.96 2kjk s VAL 18 Cb 0.00 -1.49 0.37 0.00 0.56 0.00 0.00 36.38 35.83 2kjk s VAL 18 CO 0.00 -0.77 1.97 1.55 -0.31 0.00 0.00 175.10 177.54 2kjk h PRO 19 N 2.91 0.00 0.00 4.82 0.13 -1.93 0.27 132.00 138.20 2kjk h PRO 19 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kjk h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kjk h PRO 19 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 2kjk n ALA 20 N -2.34 1.61 -2.05 -0.56 0.00 -1.26 -4.71 120.51 111.21 2kjk n ALA 20 Ca 0.06 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 2kjk n ALA 20 Cb 0.55 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2kjk n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kjk s ALA 21 N -3.21 3.44 0.00 0.00 0.00 0.93 -2.46 121.76 120.46 2kjk s ALA 21 Ca 0.05 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2kjk s ALA 21 Cb 0.09 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2kjk s ALA 21 CO 0.33 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2kjk n GLY 22 N 2.18 1.45 0.69 0.00 0.00 -1.26 -4.82 105.19 103.43 2kjk n GLY 22 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.59 -4.06 -0.61 5.41 -1.16 -5.05 119.36 112.48 2kjk n ILE 23 Ca 0.00 -0.12 -0.30 0.00 1.00 0.00 0.00 62.75 63.33 2kjk n ILE 23 Cb 0.00 -1.65 -0.07 0.00 -0.71 0.00 0.00 39.64 37.22 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 -6.58 3.77 -0.01 1.39 1.43 -1.03 -5.10 118.68 112.55 2kjk s LEU 24 Ca -0.14 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2kjk s LEU 24 Cb 0.05 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 2kjk s LEU 24 CO 0.18 0.17 -0.16 -2.28 0.23 0.00 0.00 176.35 174.49 2kjk s HIS 25 N -1.41 1.40 0.31 0.29 2.46 -1.26 -4.84 115.29 112.25 2kjk s HIS 25 Ca 0.29 -0.27 -0.27 0.00 0.47 0.00 0.00 55.06 55.28 2kjk s HIS 25 Cb -0.12 -0.90 -0.14 0.00 -0.13 0.00 0.00 32.58 31.29 2kjk s HIS 25 CO 0.22 -0.02 0.98 0.00 -2.47 0.00 0.00 174.74 173.45 2kjk n ALA 26 N 2.66 -0.28 -0.19 1.58 0.00 -1.26 -1.38 120.51 121.64 2kjk n ALA 26 Ca -0.15 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kjk n ALA 26 Cb 0.55 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.25 1.66 3.74 0.00 0.00 -0.63 -4.98 105.19 106.24 2kjk n GLY 27 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2kjk n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjk s ASP 28 N -3.23 6.63 -0.09 1.61 2.15 -0.48 -4.57 116.67 118.69 2kjk s ASP 28 Ca 0.00 2.66 -0.13 0.00 0.43 0.00 0.00 52.55 55.51 2kjk s ASP 28 Cb 0.00 -2.62 -0.05 0.00 -0.30 0.00 0.00 42.92 39.95 2kjk s ASP 28 CO 0.00 -0.73 0.31 -0.76 -0.17 0.00 0.00 175.17 173.82 2kjk s LEU 29 N -0.09 4.35 -0.12 -1.34 1.02 -1.26 -3.24 118.68 118.01 2kjk s LEU 29 Ca 0.61 0.68 -0.17 0.00 0.02 0.00 0.00 54.13 55.27 2kjk s LEU 29 Cb -0.42 -2.41 -0.04 0.00 0.02 0.00 0.00 46.19 43.33 2kjk s LEU 29 CO 0.41 0.23 0.42 -0.63 0.02 0.00 0.00 176.35 176.80 2kjk s ILE 30 N -0.35 5.20 -0.16 -0.59 -1.09 -1.22 -2.94 121.20 120.06 2kjk s ILE 30 Ca 0.19 0.83 -0.16 0.00 -2.23 0.00 0.00 60.65 59.28 2kjk s ILE 30 Cb -0.14 -3.76 -0.13 0.00 -1.58 0.00 0.00 42.46 36.85 2kjk s ILE 30 CO 0.08 0.37 0.20 0.71 -1.23 0.00 0.00 174.94 175.06 2kjk h THR 31 N 4.61 0.70 -3.32 2.92 1.35 -0.85 -3.38 112.91 114.95 2kjk h THR 31 Ca -0.42 -1.69 -0.04 0.00 -0.55 0.00 0.00 66.41 63.70 2kjk h THR 31 Cb 1.18 1.50 -0.13 0.00 -1.73 0.00 0.00 68.15 68.97 2kjk h THR 31 CO 0.74 0.24 -0.02 -0.70 -0.25 0.00 0.00 175.52 175.53 2kjk s GLU 32 N -2.15 1.12 -0.03 4.72 2.12 -1.10 -4.89 118.70 118.48 2kjk s GLU 32 Ca -0.18 -0.67 -0.05 0.00 0.36 0.00 0.00 54.97 54.44 2kjk s GLU 32 Cb 0.02 0.49 0.01 0.00 0.26 0.00 0.00 34.13 34.91 2kjk s GLU 32 CO 0.41 -0.45 0.11 -1.50 -0.54 0.00 0.00 175.26 173.29 2kjk s ILE 33 N -3.80 0.04 -0.51 -3.70 2.07 -1.25 -1.68 121.20 112.36 2kjk s ILE 33 Ca 0.03 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 2kjk s ILE 33 Cb 0.01 -0.27 0.00 0.00 0.13 0.00 0.00 42.46 42.34 2kjk s ILE 33 CO -0.12 -0.16 0.00 -0.67 -1.91 0.00 0.00 174.94 172.08 2kjk n ASP 34 N 2.40 -1.71 0.00 4.50 2.03 -1.08 0.49 116.55 123.18 2kjk n ASP 34 Ca -0.17 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2kjk n ASP 34 Cb 0.58 -1.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 -0.02 0.35 3.20 0.27 0.00 -1.26 -4.95 105.19 102.79 2kjk n GLY 35 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.80 0.96 -0.12 1.61 -1.52 0.18 -5.06 119.66 114.90 2kjk s GLN 36 Ca 0.00 -1.32 -0.09 0.00 -1.95 0.00 0.00 55.36 52.01 2kjk s GLN 36 Cb 0.00 0.28 0.03 0.00 -0.22 0.00 0.00 33.01 33.11 2kjk s GLN 36 CO 0.00 -0.29 0.17 0.45 -0.25 0.00 0.00 175.29 175.37 2kjk n SER 37 N -0.11 -2.81 0.00 5.90 2.88 -1.26 -3.92 113.62 114.30 2kjk n SER 37 Ca -0.07 1.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 2kjk n SER 37 Cb 0.63 -4.99 0.00 0.00 -0.75 0.00 0.00 64.21 59.10 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 1.64 0.00 0.12 0.66 1.16 -1.26 -4.22 117.46 115.55 2kjk n PHE 38 Ca -0.29 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.15 2kjk n PHE 38 Cb 0.45 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.26 2kjk n PHE 38 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 2kjk h LYS 39 N 0.00 -0.54 -6.22 3.97 1.57 -1.95 -3.44 116.57 109.97 2kjk h LYS 39 Ca 0.00 0.04 -0.49 0.00 -1.87 0.00 0.00 60.65 58.33 2kjk h LYS 39 Cb 0.00 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2kjk h LYS 39 CO 0.00 -0.36 -0.44 0.45 -0.57 0.00 0.00 179.45 178.53 2kjk s SER 40 N -4.76 5.43 -0.07 0.86 0.15 -1.26 -4.87 113.70 109.18 2kjk s SER 40 Ca -0.16 -0.42 -0.25 0.00 0.70 0.00 0.00 55.95 55.82 2kjk s SER 40 Cb 0.08 -1.06 -0.21 0.00 -1.71 0.00 0.00 66.02 63.12 2kjk s SER 40 CO 0.64 -0.34 1.01 -1.28 1.20 0.00 0.00 173.24 174.48 2kjk h SER 41 N 1.21 -0.04 -0.71 5.45 0.87 -1.85 -3.27 113.55 115.21 2kjk h SER 41 Ca -0.45 -0.61 -0.05 0.00 -1.23 0.00 0.00 61.79 59.45 2kjk h SER 41 Cb 1.25 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 2kjk h SER 41 CO 0.58 0.62 0.26 -0.61 -0.53 0.00 0.00 176.83 177.14 2kjk h GLN 42 N -0.73 1.09 -0.16 2.24 -0.00 -1.97 -2.20 115.11 113.38 2kjk h GLN 42 Ca -0.00 -0.21 0.05 0.00 -0.00 0.00 0.00 58.65 58.48 2kjk h GLN 42 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.95 2kjk h GLN 42 CO 0.01 0.91 0.23 1.49 0.00 0.00 0.00 178.83 181.46 2kjk h GLU 43 N 1.06 0.00 -0.07 1.69 4.81 -1.99 -0.64 114.58 119.44 2kjk h GLU 43 Ca 0.24 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 2kjk h GLU 43 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2kjk h GLU 43 CO -0.01 0.00 -0.22 0.35 -0.73 0.00 0.00 179.01 178.39 2kjk h PHE 44 N 0.00 0.37 -0.16 0.92 3.04 -1.44 -3.07 116.94 116.59 2kjk h PHE 44 Ca 0.08 -0.15 0.01 0.00 3.98 0.00 0.00 57.97 61.89 2kjk h PHE 44 Cb 0.53 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2kjk h PHE 44 CO 0.00 0.84 0.11 0.82 -2.02 0.00 0.00 178.31 178.05 2kjk h ILE 45 N -0.21 1.02 -0.62 1.41 5.03 -1.17 -1.40 117.51 121.58 2kjk h ILE 45 Ca -0.01 -0.06 -0.05 0.00 -0.12 0.00 0.00 64.86 64.62 2kjk h ILE 45 Cb 0.84 0.82 -0.03 0.00 -3.03 0.00 0.00 36.82 35.42 2kjk h ILE 45 CO 0.05 0.03 0.19 0.44 -0.68 0.00 0.00 178.15 178.18 2kjk h ASP 46 N 0.19 0.88 -0.45 1.72 3.32 -1.33 -2.79 116.42 117.96 2kjk h ASP 46 Ca 0.06 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 2kjk h ASP 46 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2kjk h ASP 46 CO -0.01 0.83 0.12 0.22 -1.72 0.00 0.00 179.24 178.68 2kjk h TYR 47 N 0.92 0.75 -0.78 4.55 3.20 -1.19 -2.21 116.97 122.21 2kjk h TYR 47 Ca 0.20 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 62.07 2kjk h TYR 47 Cb 0.27 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.26 2kjk h TYR 47 CO 0.02 0.69 0.44 0.82 -1.64 0.00 0.00 178.16 178.49 2kjk h ILE 48 N 0.60 0.91 0.00 1.81 2.04 -1.30 -0.59 117.51 120.98 2kjk h ILE 48 Ca 0.14 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2kjk h ILE 48 Cb 0.31 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2kjk h ILE 48 CO 0.00 0.14 -0.21 0.45 0.00 0.00 0.00 178.15 178.53 2kjk h HIS 49 N 0.75 0.00 0.00 1.37 3.86 -1.49 -3.24 115.15 116.40 2kjk h HIS 49 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2kjk h HIS 49 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2kjk h HIS 49 CO -0.07 0.21 0.00 0.43 0.86 0.00 0.00 177.93 179.36 2kjk n SER 50 N -3.18 0.64 -4.60 2.45 7.64 -0.24 -4.65 113.62 111.68 2kjk n SER 50 Ca 0.03 0.70 -0.31 0.00 1.01 0.00 0.00 58.87 60.30 2kjk n SER 50 Cb 0.58 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 2kjk n SER 50 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kjk s LYS 51 N -3.40 2.35 0.61 1.43 -0.14 -1.18 -5.09 119.74 114.32 2kjk s LYS 51 Ca 0.02 -0.88 -0.01 0.00 -1.36 0.00 0.00 55.97 53.74 2kjk s LYS 51 Cb 0.08 -2.41 0.05 0.00 -1.68 0.00 0.00 37.83 33.87 2kjk s LYS 51 CO 0.33 0.55 0.86 0.15 -0.76 0.00 0.00 175.35 176.47 2kjk s LYS 52 N -1.91 2.34 0.29 1.68 3.01 -1.26 -4.71 119.74 119.16 2kjk s LYS 52 Ca 0.20 -0.72 -0.29 0.00 -1.01 0.00 0.00 55.97 54.15 2kjk s LYS 52 Cb -0.11 -2.40 -0.10 0.00 -1.01 0.00 0.00 37.83 34.21 2kjk s LYS 52 CO 0.12 -0.94 1.34 0.08 0.51 0.00 0.00 175.35 176.46 2kjk s VAL 53 N -2.92 2.79 0.00 3.17 1.01 -1.26 -2.97 120.40 120.22 2kjk s VAL 53 Ca 0.59 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2kjk s VAL 53 Cb -0.10 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2kjk s VAL 53 CO 0.41 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2kjk n GLY 54 N 1.44 3.04 3.63 4.51 0.00 -1.20 -4.99 105.19 111.63 2kjk n GLY 54 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2kjk n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kjk n ASP 55 N 0.00 0.94 -4.77 1.61 2.03 -1.16 -4.66 116.55 110.55 2kjk n ASP 55 Ca 0.00 0.81 -0.39 0.00 0.52 0.00 0.00 54.79 55.73 2kjk n ASP 55 Cb 0.00 -1.41 -0.06 0.00 -0.72 0.00 0.00 41.12 38.93 2kjk n ASP 55 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2kjk s THR 56 N -1.50 4.78 0.31 5.18 -4.23 -1.26 -2.79 115.64 116.13 2kjk s THR 56 Ca 0.77 1.37 0.10 0.00 -1.18 0.00 0.00 61.69 62.75 2kjk s THR 56 Cb -0.41 -3.99 -0.06 0.00 1.34 0.00 0.00 72.50 69.38 2kjk s THR 56 CO 0.46 0.44 -0.13 0.54 -0.54 0.00 0.00 174.62 175.40 2kjk s VAL 57 N -0.44 2.21 -0.21 2.29 0.11 -1.05 -5.00 120.40 118.31 2kjk s VAL 57 Ca 0.33 -2.26 -0.01 0.00 -2.93 0.00 0.00 61.98 57.11 2kjk s VAL 57 Cb -0.19 -2.49 0.06 0.00 -1.53 0.00 0.00 36.38 32.23 2kjk s VAL 57 CO 0.20 -0.29 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.11 2kjk s LYS 58 N -3.60 1.20 -0.13 1.54 1.02 -1.26 -2.92 119.74 115.59 2kjk s LYS 58 Ca 0.31 -0.69 -0.07 0.00 0.02 0.00 0.00 55.97 55.54 2kjk s LYS 58 Cb 0.00 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 2kjk s LYS 58 CO 0.15 -0.59 0.13 0.42 -0.92 0.00 0.00 175.35 174.54 2kjk s ILE 59 N 1.62 5.40 -0.18 2.17 -1.09 -1.06 -2.64 121.20 125.41 2kjk s ILE 59 Ca -0.03 0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2kjk s ILE 59 Cb -0.18 -3.37 0.05 0.00 -1.58 0.00 0.00 42.46 37.38 2kjk s ILE 59 CO -0.07 0.58 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.42 2kjk s LYS 60 N -0.72 1.49 0.06 2.79 2.47 -0.68 -3.49 119.74 121.66 2kjk s LYS 60 Ca 0.13 -0.63 -0.07 0.00 -1.56 0.00 0.00 55.97 53.84 2kjk s LYS 60 Cb -0.12 -2.17 -0.01 0.00 -1.46 0.00 0.00 37.83 34.08 2kjk s LYS 60 CO 0.03 -0.48 0.15 1.52 0.16 0.00 0.00 175.35 176.73 2kjk s TYR 61 N 1.58 0.18 -0.03 4.03 -0.85 -1.25 -0.08 117.35 120.93 2kjk s TYR 61 Ca -0.01 -0.55 0.03 0.00 -0.52 0.00 0.00 57.07 56.02 2kjk s TYR 61 Cb -0.16 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.07 2kjk s TYR 61 CO -0.08 -0.47 -0.12 -1.59 -1.52 0.00 0.00 175.55 171.78 2kjk s LYS 62 N -3.34 1.24 -0.11 -3.49 -2.85 -1.15 -3.12 119.74 106.92 2kjk s LYS 62 Ca 0.01 -0.41 -0.00 0.00 -1.00 0.00 0.00 55.97 54.57 2kjk s LYS 62 Cb 0.03 -1.12 0.02 0.00 -2.06 0.00 0.00 37.83 34.70 2kjk s LYS 62 CO -0.08 0.16 -0.08 -1.58 0.10 0.00 0.00 175.35 173.87 2kjk s HIS 63 N 0.14 1.51 0.00 1.78 2.46 -1.16 -4.03 115.29 115.98 2kjk s HIS 63 Ca -0.03 -0.75 0.00 0.00 0.47 0.00 0.00 55.06 54.75 2kjk s HIS 63 Cb -0.10 -1.24 0.00 0.00 -0.13 0.00 0.00 32.58 31.12 2kjk s HIS 63 CO 0.01 -0.51 0.00 0.41 -2.47 0.00 0.00 174.74 172.18 2kjk n GLY 64 N 4.88 2.72 0.00 1.59 0.00 -1.26 -3.15 105.19 109.98 2kjk n GLY 64 Ca -0.13 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.79 2kjk n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kjk n ASN 65 N 9.53 3.40 -4.77 1.61 3.02 -1.26 -5.01 115.26 121.79 2kjk n ASN 65 Ca 0.00 -0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 2kjk n ASN 65 Cb 0.00 1.31 -0.07 0.00 -0.61 0.00 0.00 39.78 40.41 2kjk n ASN 65 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2kjk s LYS 66 N -2.47 4.03 -0.03 3.52 -2.85 -1.19 -5.10 119.74 115.64 2kjk s LYS 66 Ca -0.02 -0.15 -0.02 0.00 -1.00 0.00 0.00 55.97 54.77 2kjk s LYS 66 Cb 0.04 -3.37 -0.04 0.00 -2.06 0.00 0.00 37.83 32.41 2kjk s LYS 66 CO 0.29 0.41 0.12 1.21 0.10 0.00 0.00 175.35 177.48 2kjk s ASN 67 N 0.04 6.01 0.00 0.03 3.84 -1.26 -3.00 114.94 120.60 2kjk s ASN 67 Ca 0.11 0.27 0.02 0.00 0.21 0.00 0.00 52.86 53.47 2kjk s ASN 67 Cb -0.12 -1.82 -0.01 0.00 -0.55 0.00 0.00 41.25 38.75 2kjk s ASN 67 CO 0.00 0.30 -0.08 -1.61 -2.79 0.00 0.00 177.10 172.93 2kjk s GLU 68 N -1.63 0.60 -0.07 0.43 0.41 -1.18 -5.03 118.70 112.23 2kjk s GLU 68 Ca 0.22 -0.32 0.04 0.00 -0.41 0.00 0.00 54.97 54.50 2kjk s GLU 68 Cb -0.12 -0.57 0.00 0.00 -1.78 0.00 0.00 34.13 31.66 2kjk s GLU 68 CO 0.13 0.15 -0.18 -2.00 -0.49 0.00 0.00 175.26 172.87 2kjk s GLU 69 N -0.33 2.29 -0.04 1.61 2.12 -1.26 -3.78 118.70 119.30 2kjk s GLU 69 Ca 0.02 -0.66 -0.09 0.00 0.36 0.00 0.00 54.97 54.60 2kjk s GLU 69 Cb -0.04 -1.82 0.02 0.00 0.26 0.00 0.00 34.13 32.55 2kjk s GLU 69 CO -0.00 0.14 0.21 0.00 -0.54 0.00 0.00 175.26 175.07 2kjk s ALA 70 N 0.38 -0.52 -0.16 6.30 0.00 -1.23 -5.06 121.76 121.48 2kjk s ALA 70 Ca -0.14 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 2kjk s ALA 70 Cb -0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 2kjk s ALA 70 CO 0.06 -0.17 0.17 -1.12 0.00 0.00 0.00 175.76 174.70 2kjk s SER 71 N -0.62 6.33 -0.00 0.00 0.01 -1.26 -2.55 113.70 115.60 2kjk s SER 71 Ca -0.07 0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.57 2kjk s SER 71 Cb -0.04 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2kjk s SER 71 CO 0.01 0.25 -0.02 -0.63 0.41 0.00 0.00 173.24 173.26 2kjk s ILE 72 N -0.12 0.14 0.21 1.44 1.01 -1.15 -4.96 121.20 117.78 2kjk s ILE 72 Ca 0.12 -0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.46 2kjk s ILE 72 Cb -0.12 -0.14 -0.08 0.00 0.01 0.00 0.00 42.46 42.13 2kjk s ILE 72 CO 0.01 0.05 0.82 -0.54 0.00 0.00 0.00 174.94 175.29 2kjk s LYS 73 N 0.07 4.58 0.58 2.79 1.02 -1.26 -2.54 119.74 124.98 2kjk s LYS 73 Ca -0.00 1.20 -0.20 0.00 0.02 0.00 0.00 55.97 56.99 2kjk s LYS 73 Cb -0.02 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2kjk s LYS 73 CO -0.00 0.49 1.29 -0.51 -0.92 0.00 0.00 175.35 175.70 2kjk s LEU 74 N -1.41 3.73 0.13 3.17 2.01 -1.12 -4.87 118.68 120.32 2kjk s LEU 74 Ca 0.40 2.61 0.01 0.00 0.01 0.00 0.00 54.13 57.17 2kjk s LEU 74 Cb -0.22 -4.45 -0.04 0.00 0.01 0.00 0.00 46.19 41.48 2kjk s LEU 74 CO 0.26 -1.68 -0.03 0.42 1.01 0.00 0.00 176.35 176.33 2kjk s THR 75 N -1.41 0.62 -0.33 5.49 -4.23 0.39 -3.21 115.64 112.96 2kjk s THR 75 Ca 0.76 -1.95 -0.27 0.00 -1.18 0.00 0.00 61.69 59.05 2kjk s THR 75 Cb -0.37 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.61 2kjk s THR 75 CO 0.41 -0.69 0.99 0.00 -0.54 0.00 0.00 174.62 174.79 2kjk s ALA 76 N -3.68 3.48 -0.16 3.99 0.00 -1.26 0.84 121.76 124.98 2kjk s ALA 76 Ca 0.17 -0.21 0.20 0.00 0.00 0.00 0.00 51.96 52.12 2kjk s ALA 76 Cb 0.06 -3.58 -0.29 0.00 0.00 0.00 0.00 23.12 19.31 2kjk s ALA 76 CO -0.01 -1.46 0.49 0.44 0.00 0.00 0.00 175.76 175.22 2kjk n ILE 77 N 5.84 0.00 -4.67 0.00 -0.00 -1.24 -4.97 119.36 114.32 2kjk n ILE 77 Ca 0.09 -0.39 -0.27 0.00 -0.00 0.00 0.00 62.75 62.18 2kjk n ILE 77 Cb 0.47 0.19 -0.14 0.00 -0.00 0.00 0.00 39.64 40.16 2kjk n ILE 77 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2kjk s ASP 78 N -4.05 2.73 0.58 7.28 1.01 -1.26 -5.01 116.67 117.95 2kjk s ASP 78 Ca -0.05 -0.57 0.19 0.00 0.71 0.00 0.00 52.55 52.82 2kjk s ASP 78 Cb 0.13 -0.22 1.01 0.00 1.01 0.00 0.00 42.92 44.85 2kjk s ASP 78 CO 0.81 0.18 1.54 0.07 0.21 0.00 0.00 175.17 177.98 2kjk h LYS 79 N 4.71 0.00 0.00 8.23 2.10 -1.98 0.53 116.57 130.16 2kjk h LYS 79 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2kjk h LYS 79 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2kjk h LYS 79 CO 0.43 0.00 -0.04 0.87 -2.00 0.00 0.00 179.45 178.71 2kjk h LYS 80 N 0.00 0.00 -0.84 0.07 1.57 -2.00 -3.47 116.57 111.90 2kjk h LYS 80 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kjk h LYS 80 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2kjk h LYS 80 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2kjk n GLY 81 N 1.24 0.97 3.67 3.86 0.00 0.19 -5.04 105.19 110.07 2kjk n GLY 81 Ca 0.05 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.84 4.81 0.14 2.61 2.01 -1.26 -4.92 115.64 116.19 2kjk s THR 82 Ca 0.00 1.86 -0.34 0.00 0.31 0.00 0.00 61.69 63.51 2kjk s THR 82 Cb 0.00 -4.23 -0.15 0.00 0.01 0.00 0.00 72.50 68.12 2kjk s THR 82 CO 0.00 -0.02 1.35 -2.65 -0.69 0.00 0.00 174.62 172.61 2kjk n PRO 83 N 5.35 1.47 -3.60 4.92 -0.02 -1.26 -3.66 135.00 138.19 2kjk n PRO 83 Ca 0.07 0.53 -0.04 0.00 -2.02 0.00 0.00 63.50 62.04 2kjk n PRO 83 Cb 0.48 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.41 -0.35 -0.38 -1.23 0.00 0.25 -4.69 107.32 101.32 2kjk s GLY 84 Ca 0.78 1.06 0.06 0.00 0.00 0.00 0.00 44.72 46.61 2kjk s GLY 84 CO 0.47 0.32 1.52 0.29 0.00 0.00 0.00 173.10 175.70 2kjk n ILE 85 N -0.27 2.82 -3.56 0.90 -5.35 -1.26 0.15 119.36 112.78 2kjk n ILE 85 Ca -0.05 -3.25 -0.26 0.00 -0.27 0.00 0.00 62.75 58.92 2kjk n ILE 85 Cb 0.60 -0.78 0.05 0.00 -1.74 0.00 0.00 39.64 37.77 2kjk n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kjk n GLY 86 N -0.95 -0.97 3.19 3.28 0.00 -1.26 -4.42 105.19 104.06 2kjk n GLY 86 Ca 0.45 0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.84 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 -3.47 0.13 -0.12 -0.61 -4.36 -1.26 -3.70 121.20 107.81 2kjk s ILE 87 Ca 0.42 -1.60 -0.02 0.00 -0.26 0.00 0.00 60.65 59.19 2kjk s ILE 87 Cb -0.12 -1.71 0.04 0.00 1.25 0.00 0.00 42.46 41.92 2kjk s ILE 87 CO 0.82 -0.60 0.01 -0.89 0.24 0.00 0.00 174.94 174.52 2kjk s THR 88 N -3.96 0.44 -0.12 8.37 2.01 -1.25 -5.06 115.64 116.08 2kjk s THR 88 Ca 0.14 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 2kjk s THR 88 Cb 0.06 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 2kjk s THR 88 CO -0.04 0.08 0.23 -0.76 -0.69 0.00 0.00 174.62 173.44 2kjk s LEU 89 N 1.93 4.34 -0.18 4.42 1.02 -1.26 0.17 118.68 129.12 2kjk s LEU 89 Ca 0.03 0.54 -0.14 0.00 0.02 0.00 0.00 54.13 54.58 2kjk s LEU 89 Cb -0.14 -2.25 0.05 0.00 0.02 0.00 0.00 46.19 43.87 2kjk s LEU 89 CO -0.06 0.28 0.47 0.68 0.02 0.00 0.00 176.35 177.73 2kjk s VAL 90 N -0.45 -0.01 -0.06 -1.59 -7.23 -0.91 -4.94 120.40 105.21 2kjk s VAL 90 Ca 0.16 0.03 -0.15 0.00 -1.81 0.00 0.00 61.98 60.21 2kjk s VAL 90 Cb -0.13 -0.66 -0.10 0.00 0.56 0.00 0.00 36.38 36.04 2kjk s VAL 90 CO 0.05 0.01 0.60 -0.78 -0.31 0.00 0.00 175.10 174.67 2kjk h ASP 91 N 6.03 -0.24 -2.27 4.85 3.58 -1.84 -3.30 116.42 123.23 2kjk h ASP 91 Ca -0.30 -0.18 0.16 0.00 0.42 0.00 0.00 57.03 57.13 2kjk h ASP 91 Cb 1.18 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.27 2kjk h ASP 91 CO 0.23 0.28 0.56 -0.90 -2.88 0.00 0.00 179.24 176.53 2kjk n ASP 92 N -4.96 -1.48 -2.46 2.28 5.75 -1.26 -4.86 116.55 109.56 2kjk n ASP 92 Ca -0.06 -1.73 -0.04 0.00 -0.01 0.00 0.00 54.79 52.94 2kjk n ASP 92 Cb 0.20 2.39 -0.00 0.00 -1.03 0.00 0.00 41.12 42.69 2kjk n ASP 92 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2kjk n LEU 93 N 0.00 -0.42 0.00 -2.12 4.77 -1.26 -4.51 117.00 113.46 2kjk n LEU 93 Ca -0.01 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2kjk n LEU 93 Cb 0.52 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2kjk n LEU 93 CO 0.18 -0.05 0.00 -0.62 -1.33 0.00 0.00 177.39 175.57 2kjk n GLU 94 N -2.59 0.00 0.00 3.23 1.02 -1.26 0.02 120.64 121.06 2kjk n GLU 94 Ca -0.05 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.22 2kjk n GLU 94 Cb 0.54 0.00 0.43 0.00 -0.02 0.00 0.00 31.44 32.39 2kjk n GLU 94 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kjk n HIS 95 N 14.00 0.00 -3.06 -0.32 8.25 -1.26 -4.72 115.22 128.11 2kjk n HIS 95 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 2kjk n HIS 95 Cb 0.00 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.11 2kjk n HIS 95 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kjk n HIS 96 N 0.21 -3.22 -1.45 4.41 -0.00 0.10 -4.96 115.22 110.31 2kjk n HIS 96 Ca 0.17 1.32 -0.31 0.00 0.46 0.00 0.00 57.72 59.36 2kjk n HIS 96 Cb 0.39 -3.32 0.08 0.00 -0.12 0.00 0.00 29.99 27.02 2kjk n HIS 96 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kjk s HIS 97 N -2.20 2.82 1.14 1.57 3.76 -1.26 -5.03 115.29 116.09 2kjk s HIS 97 Ca 0.28 1.37 -0.13 0.00 -0.15 0.00 0.00 55.06 56.44 2kjk s HIS 97 Cb -0.06 -3.01 0.27 0.00 1.11 0.00 0.00 32.58 30.89 2kjk s HIS 97 CO 0.80 -1.64 1.04 -1.01 -0.85 0.00 0.00 174.74 173.08 2kjk s HIS 98 N -3.02 1.43 -0.20 1.40 3.76 -1.26 -4.61 115.29 112.78 2kjk s HIS 98 Ca 0.60 1.18 -0.05 0.00 -0.15 0.00 0.00 55.06 56.64 2kjk s HIS 98 Cb -0.15 -3.12 0.02 0.00 1.11 0.00 0.00 32.58 30.44 2kjk s HIS 98 CO 0.55 -3.76 0.11 0.72 -0.85 0.00 0.00 174.74 171.51 2kjk n HIS 99 N -4.84 -3.51 -1.18 1.40 8.25 -1.26 -5.28 115.22 108.80 2kjk n HIS 99 Ca 0.03 1.82 0.00 0.00 -0.26 0.00 0.00 57.72 59.32 2kjk n HIS 99 Cb 0.54 -3.44 0.00 0.00 1.12 0.00 0.00 29.99 28.21 2kjk n HIS 99 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56