#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 0.00 1.03 2.03 3.14 -1.26 -4.92 118.33 118.35 2kjk n VAL 2 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 2kjk n VAL 2 Cb 0.00 0.00 0.25 0.00 -1.06 0.00 0.00 33.84 33.03 2kjk n VAL 2 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2kjk n LYS 3 N -0.23 0.51 -2.95 1.45 5.02 -1.26 -4.89 118.16 115.81 2kjk n LYS 3 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2kjk n LYS 3 Cb 0.00 -1.26 0.01 0.00 -0.02 0.00 0.00 35.03 33.76 2kjk n LYS 3 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2kjk n VAL 4 N -0.76 -9.48 -0.03 -0.18 0.31 -1.26 -4.91 118.33 102.02 2kjk n VAL 4 Ca 0.06 1.00 -0.11 0.00 -0.01 0.00 0.00 64.34 65.29 2kjk n VAL 4 Cb 0.03 -6.25 -0.05 0.00 -0.91 0.00 0.00 33.84 26.66 2kjk n VAL 4 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2kjk h THR 5 N 2.44 1.10 0.00 2.52 2.02 -2.00 -3.44 112.91 115.56 2kjk h THR 5 Ca -0.09 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2kjk h THR 5 Cb 0.79 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2kjk h THR 5 CO 0.16 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.93 2kjk n TYR 6 N -4.92 0.00 0.00 3.16 4.01 -1.26 -5.16 117.16 112.99 2kjk n TYR 6 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2kjk n TYR 6 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2kjk n TYR 6 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2kjk n ASP 7 N 0.00 0.00 0.00 7.72 5.68 -1.26 -5.18 116.55 123.51 2kjk n ASP 7 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2kjk n ASP 7 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2kjk n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kjk n GLY 8 N 0.00 -0.57 3.42 6.12 0.00 -1.26 -4.88 105.19 108.02 2kjk n GLY 8 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.07 3.47 -0.05 1.61 -7.23 -1.26 -4.69 120.40 109.18 2kjk s VAL 9 Ca 0.00 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.46 2kjk s VAL 9 Cb 0.00 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2kjk s VAL 9 CO 0.00 0.49 0.62 -0.31 -0.31 0.00 0.00 175.10 175.59 2kjk s TYR 10 N 0.53 3.61 0.14 2.82 1.51 0.56 -3.72 117.35 122.81 2kjk s TYR 10 Ca -0.05 1.17 -0.30 0.00 -1.01 0.00 0.00 57.07 56.87 2kjk s TYR 10 Cb -0.15 -2.68 -0.07 0.00 -0.11 0.00 0.00 41.96 38.96 2kjk s TYR 10 CO 0.03 0.22 1.08 0.08 -1.11 0.00 0.00 175.55 175.85 2kjk s VAL 11 N 0.32 4.06 -0.18 0.71 1.01 -1.25 -0.59 120.40 124.49 2kjk s VAL 11 Ca 0.33 1.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 2kjk s VAL 11 Cb -0.18 -4.09 -0.18 0.00 0.00 0.00 0.00 36.38 31.93 2kjk s VAL 11 CO 0.16 0.26 0.32 0.25 0.00 0.00 0.00 175.10 176.09 2kjk h LEU 12 N 5.50 0.00 -7.30 3.92 7.12 -1.87 -3.37 115.31 119.32 2kjk h LEU 12 Ca -0.43 -0.57 -0.09 0.00 0.13 0.00 0.00 57.88 56.92 2kjk h LEU 12 Cb 1.21 0.00 -0.19 0.00 -0.53 0.00 0.00 40.66 41.15 2kjk h LEU 12 CO 0.74 1.22 -0.07 -0.55 -0.13 0.00 0.00 178.44 179.64 2kjk s SER 13 N -6.49 -0.38 -0.30 1.25 0.15 -1.26 -5.01 113.70 101.66 2kjk s SER 13 Ca -0.23 0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.68 2kjk s SER 13 Cb 0.03 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.77 2kjk s SER 13 CO 0.55 -0.54 0.05 -0.69 1.20 0.00 0.00 173.24 173.81 2kjk s VAL 14 N -1.44 3.62 -0.90 4.45 1.01 -1.26 -4.07 120.40 121.81 2kjk s VAL 14 Ca -0.11 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 2kjk s VAL 14 Cb -0.03 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.52 2kjk s VAL 14 CO 0.05 0.02 1.19 -0.54 0.00 0.00 0.00 175.10 175.82 2kjk s LYS 15 N 1.42 3.49 0.68 2.72 1.02 -1.23 -5.01 119.74 122.83 2kjk s LYS 15 Ca 0.00 -1.37 -0.06 0.00 0.02 0.00 0.00 55.97 54.57 2kjk s LYS 15 Cb -0.18 -4.88 0.09 0.00 -0.52 0.00 0.00 37.83 32.34 2kjk s LYS 15 CO 0.01 -1.91 0.19 -0.85 -0.92 0.00 0.00 175.35 171.87 2kjk n GLU 16 N 7.48 0.39 -2.35 1.68 0.00 -1.26 -3.98 120.64 122.61 2kjk n GLU 16 Ca 0.21 -0.33 -0.18 0.00 0.00 0.00 0.00 57.16 56.86 2kjk n GLU 16 Cb 0.49 -1.13 -0.01 0.00 0.00 0.00 0.00 31.44 30.79 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 0.76 -5.28 -4.18 -1.84 2.03 -1.26 -5.00 116.55 101.77 2kjk n ASP 17 Ca 0.03 -0.02 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 2kjk n ASP 17 Cb 0.13 -4.35 -0.10 0.00 -0.72 0.00 0.00 41.12 36.08 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 -2.91 0.90 0.35 5.18 -7.23 -1.26 -5.05 120.40 110.39 2kjk s VAL 18 Ca 0.00 -1.77 0.12 0.00 -1.81 0.00 0.00 61.98 58.52 2kjk s VAL 18 Cb -0.00 -1.50 0.34 0.00 0.56 0.00 0.00 36.38 35.78 2kjk s VAL 18 CO 0.00 -0.67 1.76 -0.65 -0.31 0.00 0.00 175.10 175.24 2kjk h PRO 19 N 3.31 0.54 0.00 4.82 0.11 -1.94 0.26 132.00 139.10 2kjk h PRO 19 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2kjk h PRO 19 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2kjk h PRO 19 CO 0.57 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 2kjk h ALA 20 N 1.67 1.00 -2.21 -0.75 0.00 -1.91 -3.43 119.26 113.64 2kjk h ALA 20 Ca 0.60 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.96 2kjk h ALA 20 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2kjk h ALA 20 CO -0.38 0.00 1.15 0.00 0.00 0.00 0.00 179.25 180.02 2kjk s ALA 21 N -3.72 3.47 0.00 0.00 0.00 0.91 -1.59 121.76 120.82 2kjk s ALA 21 Ca -0.02 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2kjk s ALA 21 Cb 0.09 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2kjk s ALA 21 CO 0.36 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2kjk n GLY 22 N 4.43 0.40 0.76 0.00 0.00 -1.26 -4.90 105.19 104.61 2kjk n GLY 22 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 0.48 -4.17 -0.61 5.41 -0.62 -5.06 119.36 112.78 2kjk n ILE 23 Ca 0.00 -0.09 -0.29 0.00 1.00 0.00 0.00 62.75 63.37 2kjk n ILE 23 Cb 0.00 -1.62 -0.08 0.00 -0.71 0.00 0.00 39.64 37.23 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 -6.47 3.31 0.04 1.39 1.43 -0.87 -5.13 118.68 112.39 2kjk s LEU 24 Ca -0.11 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2kjk s LEU 24 Cb 0.04 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 2kjk s LEU 24 CO 0.14 0.15 0.09 -1.38 0.23 0.00 0.00 176.35 175.57 2kjk s HIS 25 N -1.42 0.22 0.32 0.29 -3.43 -1.26 -4.80 115.29 105.21 2kjk s HIS 25 Ca 0.25 -0.54 -0.29 0.00 -0.80 0.00 0.00 55.06 53.69 2kjk s HIS 25 Cb -0.11 -0.16 -0.13 0.00 -1.43 0.00 0.00 32.58 30.76 2kjk s HIS 25 CO 0.17 -0.36 1.27 0.00 -2.00 0.00 0.00 174.74 173.82 2kjk n ALA 26 N 0.74 1.05 -0.27 -1.38 0.00 -1.26 -1.96 120.51 117.43 2kjk n ALA 26 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kjk n ALA 26 Cb 0.59 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 1.06 0.89 3.69 0.00 0.00 -1.26 -5.02 105.19 104.55 2kjk n GLY 27 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.94 7.26 -0.19 1.61 2.15 -0.83 -4.89 116.67 118.85 2kjk s ASP 28 Ca 0.00 1.58 -0.08 0.00 0.43 0.00 0.00 52.55 54.48 2kjk s ASP 28 Cb 0.00 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 2kjk s ASP 28 CO 0.00 -0.41 0.08 -0.76 -0.17 0.00 0.00 175.17 173.91 2kjk s LEU 29 N 1.78 3.94 -0.10 -1.34 1.43 -1.26 -3.82 118.68 119.31 2kjk s LEU 29 Ca 0.50 0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.48 2kjk s LEU 29 Cb -0.19 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2kjk s LEU 29 CO 0.21 0.17 0.78 -0.63 0.23 0.00 0.00 176.35 177.11 2kjk s ILE 30 N 0.38 4.97 -0.18 -0.59 -1.09 -1.24 -2.57 121.20 120.88 2kjk s ILE 30 Ca 0.05 1.57 -0.07 0.00 -2.23 0.00 0.00 60.65 59.96 2kjk s ILE 30 Cb -0.12 -4.10 -0.22 0.00 -1.58 0.00 0.00 42.46 36.44 2kjk s ILE 30 CO -0.00 0.15 0.16 0.35 -1.23 0.00 0.00 174.94 174.37 2kjk n THR 31 N 4.18 1.66 -3.66 2.92 -2.24 -0.40 -4.23 114.28 112.52 2kjk n THR 31 Ca 0.02 -0.53 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 2kjk n THR 31 Cb 0.50 -1.72 -0.07 0.00 -2.10 0.00 0.00 70.33 66.95 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 -2.52 0.89 -0.01 -0.78 2.12 -0.70 -5.01 118.70 112.69 2kjk s GLU 32 Ca -0.27 -0.19 0.01 0.00 0.36 0.00 0.00 54.97 54.87 2kjk s GLU 32 Cb 0.08 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.87 2kjk s GLU 32 CO 0.69 -0.29 -0.02 -1.50 -0.54 0.00 0.00 175.26 173.60 2kjk s ILE 33 N -1.93 0.21 -0.64 -3.70 -1.16 -1.25 -1.15 121.20 111.59 2kjk s ILE 33 Ca -0.09 -0.09 0.00 0.00 -0.51 0.00 0.00 60.65 59.97 2kjk s ILE 33 Cb -0.02 -0.20 0.00 0.00 0.61 0.00 0.00 42.46 42.85 2kjk s ILE 33 CO 0.02 0.07 0.00 -0.67 -2.81 0.00 0.00 174.94 171.55 2kjk n ASP 34 N 3.18 -2.26 0.00 4.50 2.03 0.12 0.94 116.55 125.05 2kjk n ASP 34 Ca -0.15 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2kjk n ASP 34 Cb 0.58 -2.13 0.00 0.00 -0.72 0.00 0.00 41.12 38.85 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 -0.44 0.38 3.72 0.27 0.00 -1.26 -4.97 105.19 102.89 2kjk n GLY 35 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.73 4.54 0.00 1.61 -1.52 0.27 -5.05 119.66 118.78 2kjk s GLN 36 Ca 0.00 1.27 0.00 0.00 -1.95 0.00 0.00 55.36 54.68 2kjk s GLN 36 Cb 0.00 -3.44 0.00 0.00 -0.22 0.00 0.00 33.01 29.35 2kjk s GLN 36 CO 0.00 0.03 0.00 -1.13 -0.25 0.00 0.00 175.29 173.94 2kjk n SER 37 N 3.65 0.00 -1.31 5.90 3.41 -1.26 -3.85 113.62 120.15 2kjk n SER 37 Ca 0.03 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.80 2kjk n SER 37 Cb 0.51 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 2kjk n SER 37 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2kjk n PHE 38 N 0.00 -3.23 0.01 7.33 3.72 -1.26 -4.79 117.46 119.24 2kjk n PHE 38 Ca 0.00 1.68 0.00 0.00 -0.05 0.00 0.00 57.45 59.08 2kjk n PHE 38 Cb 0.00 -2.93 0.00 0.00 -0.94 0.00 0.00 39.48 35.61 2kjk n PHE 38 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2kjk n LYS 39 N -3.95 0.00 -0.74 -1.08 3.00 -1.26 -5.01 118.16 109.12 2kjk n LYS 39 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.02 2kjk n LYS 39 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.67 2kjk n LYS 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2kjk n SER 40 N -2.56 -0.51 0.05 3.14 3.41 -1.26 -4.58 113.62 111.32 2kjk n SER 40 Ca 0.00 0.60 -0.12 0.00 -0.26 0.00 0.00 58.87 59.09 2kjk n SER 40 Cb 0.00 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.40 2kjk n SER 40 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2kjk h SER 41 N 0.76 -0.15 -0.89 4.04 4.64 -1.98 -1.20 113.55 118.77 2kjk h SER 41 Ca -0.17 0.02 0.20 0.00 -0.47 0.00 0.00 61.79 61.37 2kjk h SER 41 Cb 0.75 0.06 -0.12 0.00 -0.31 0.00 0.00 62.40 62.79 2kjk h SER 41 CO 0.31 -0.08 0.40 -0.61 -0.87 0.00 0.00 176.83 175.98 2kjk h GLN 42 N -0.10 0.43 -0.08 4.77 4.15 -1.99 1.10 115.11 123.39 2kjk h GLN 42 Ca 0.02 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 2kjk h GLN 42 Cb 0.12 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2kjk h GLN 42 CO -0.05 0.29 -0.47 1.49 -1.93 0.00 0.00 178.83 178.16 2kjk h GLU 43 N 0.45 0.19 -0.01 1.69 4.57 -1.79 -2.43 114.58 117.25 2kjk h GLU 43 Ca 0.54 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.61 2kjk h GLU 43 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2kjk h GLU 43 CO -0.49 0.63 -0.01 0.35 -1.18 0.00 0.00 179.01 178.30 2kjk h PHE 44 N 0.16 0.03 -0.13 0.92 3.04 0.21 -3.05 116.94 118.11 2kjk h PHE 44 Ca 0.01 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.99 2kjk h PHE 44 Cb 0.89 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 2kjk h PHE 44 CO 0.01 0.58 0.10 0.82 -2.02 0.00 0.00 178.31 177.81 2kjk h ILE 45 N -0.54 0.84 -0.32 1.41 1.08 0.18 -0.06 117.51 120.11 2kjk h ILE 45 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 2kjk h ILE 45 Cb 0.58 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 2kjk h ILE 45 CO 0.00 0.00 -0.20 -0.78 -0.69 0.00 0.00 178.15 176.49 2kjk h ASP 46 N 0.00 0.59 -0.14 1.72 3.58 -1.36 -3.14 116.42 117.67 2kjk h ASP 46 Ca 0.06 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 2kjk h ASP 46 Cb 0.27 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2kjk h ASP 46 CO -0.00 0.79 -0.08 0.22 -2.88 0.00 0.00 179.24 177.29 2kjk h TYR 47 N 0.53 0.36 -0.91 0.28 3.20 -0.91 -1.95 116.97 117.57 2kjk h TYR 47 Ca 0.08 -0.09 0.15 0.00 3.14 0.00 0.00 58.73 62.01 2kjk h TYR 47 Cb 0.63 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.73 2kjk h TYR 47 CO 0.03 0.65 0.52 0.82 -1.64 0.00 0.00 178.16 178.53 2kjk h ILE 48 N -0.04 0.77 0.00 1.81 2.04 -1.43 0.86 117.51 121.52 2kjk h ILE 48 Ca 0.03 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2kjk h ILE 48 Cb 0.56 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2kjk h ILE 48 CO 0.02 0.13 -0.37 0.45 0.00 0.00 0.00 178.15 178.39 2kjk h HIS 49 N 0.74 0.00 0.00 1.37 3.86 -1.57 -3.31 115.15 116.23 2kjk h HIS 49 Ca 0.49 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.68 2kjk h HIS 49 Cb 0.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 2kjk h HIS 49 CO -0.05 0.00 -0.09 1.03 0.86 0.00 0.00 177.93 179.68 2kjk h SER 50 N 0.00 0.00 -4.60 2.45 0.87 0.00 -3.44 113.55 108.84 2kjk h SER 50 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 2kjk h SER 50 Cb 0.95 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.94 2kjk h SER 50 CO 0.00 0.09 0.04 0.29 -0.53 0.00 0.00 176.83 176.72 2kjk n LYS 51 N -3.70 0.39 -4.29 2.24 5.02 -1.17 -5.09 118.16 111.57 2kjk n LYS 51 Ca -0.02 -1.40 -0.16 0.00 -2.02 0.00 0.00 58.31 54.72 2kjk n LYS 51 Cb 0.20 -0.28 -0.10 0.00 -0.02 0.00 0.00 35.03 34.83 2kjk n LYS 51 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2kjk s LYS 52 N -3.63 1.18 0.31 1.97 2.20 -1.26 -4.77 119.74 115.74 2kjk s LYS 52 Ca 0.32 -1.54 -0.29 0.00 -0.36 0.00 0.00 55.97 54.11 2kjk s LYS 52 Cb -0.02 -0.70 -0.10 0.00 -1.51 0.00 0.00 37.83 35.49 2kjk s LYS 52 CO 0.21 0.04 1.36 0.08 -0.36 0.00 0.00 175.35 176.69 2kjk s VAL 53 N -3.29 2.63 0.00 4.02 1.01 -1.26 -2.98 120.40 120.53 2kjk s VAL 53 Ca 0.21 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2kjk s VAL 53 Cb 0.03 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2kjk s VAL 53 CO 0.04 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2kjk n GLY 54 N 1.16 0.39 1.07 4.51 0.00 -1.21 -5.03 105.19 106.09 2kjk n GLY 54 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 2kjk n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kjk n ASP 55 N 0.00 -0.42 -3.78 1.61 8.00 -1.16 -4.80 116.55 116.01 2kjk n ASP 55 Ca 0.00 -0.99 -0.13 0.00 0.71 0.00 0.00 54.79 54.38 2kjk n ASP 55 Cb 0.00 -0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 40.70 2kjk n ASP 55 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kjk s THR 56 N -1.75 0.01 0.15 -3.53 -1.32 -1.26 -2.63 115.64 105.31 2kjk s THR 56 Ca 0.21 -0.06 -0.03 0.00 -1.21 0.00 0.00 61.69 60.60 2kjk s THR 56 Cb -0.01 -0.43 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 2kjk s THR 56 CO 0.15 -0.03 0.13 0.68 -2.21 0.00 0.00 174.62 173.34 2kjk s VAL 57 N -0.02 0.08 -0.17 5.08 -7.23 -1.23 -5.03 120.40 111.87 2kjk s VAL 57 Ca -0.02 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2kjk s VAL 57 Cb -0.02 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.89 2kjk s VAL 57 CO 0.01 -0.36 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.72 2kjk s LYS 58 N -4.04 3.09 -0.05 4.82 1.02 -1.26 -2.93 119.74 120.38 2kjk s LYS 58 Ca 0.24 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.40 2kjk s LYS 58 Cb 0.06 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 2kjk s LYS 58 CO 0.02 -0.13 0.12 -1.50 -0.92 0.00 0.00 175.35 172.95 2kjk s ILE 59 N 1.14 5.17 -0.10 2.17 2.07 0.53 -0.71 121.20 131.47 2kjk s ILE 59 Ca 0.01 -0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.13 2kjk s ILE 59 Cb -0.14 -3.32 0.03 0.00 0.13 0.00 0.00 42.46 39.16 2kjk s ILE 59 CO -0.07 0.46 -0.01 -0.75 -1.91 0.00 0.00 174.94 172.66 2kjk s LYS 60 N -1.47 0.82 0.09 3.50 2.20 -0.30 -2.64 119.74 121.93 2kjk s LYS 60 Ca 0.21 -0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.76 2kjk s LYS 60 Cb -0.12 -1.28 -0.04 0.00 -1.51 0.00 0.00 37.83 34.88 2kjk s LYS 60 CO 0.11 -0.35 -0.00 1.52 -0.36 0.00 0.00 175.35 176.27 2kjk s TYR 61 N 1.90 0.70 -0.25 4.03 -0.85 -1.23 -1.27 117.35 120.39 2kjk s TYR 61 Ca 0.04 -1.11 0.01 0.00 -0.52 0.00 0.00 57.07 55.50 2kjk s TYR 61 Cb -0.13 -0.45 0.05 0.00 0.38 0.00 0.00 41.96 41.81 2kjk s TYR 61 CO -0.06 -0.40 -0.11 0.21 -1.52 0.00 0.00 175.55 173.67 2kjk s LYS 62 N -3.95 2.50 -0.39 -3.49 2.20 -1.06 -3.08 119.74 112.47 2kjk s LYS 62 Ca 0.14 -1.18 -0.09 0.00 -0.36 0.00 0.00 55.97 54.48 2kjk s LYS 62 Cb 0.07 -2.87 0.05 0.00 -1.51 0.00 0.00 37.83 33.58 2kjk s LYS 62 CO -0.05 -0.48 0.21 -1.58 -0.36 0.00 0.00 175.35 173.09 2kjk s HIS 63 N 1.19 3.29 0.00 4.03 5.65 -1.07 -4.25 115.29 124.13 2kjk s HIS 63 Ca -0.04 -1.34 0.00 0.00 0.25 0.00 0.00 55.06 53.92 2kjk s HIS 63 Cb -0.18 -2.64 0.00 0.00 -1.18 0.00 0.00 32.58 28.58 2kjk s HIS 63 CO -0.06 -0.76 0.00 0.41 -0.65 0.00 0.00 174.74 173.68 2kjk n GLY 64 N 4.91 2.46 0.33 1.59 0.00 -1.26 -2.64 105.19 110.58 2kjk n GLY 64 Ca -0.11 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 9.71 1.82 -4.07 1.61 5.03 -1.26 -4.97 115.26 123.12 2kjk n ASN 65 Ca 0.00 -1.44 -0.30 0.00 0.87 0.00 0.00 54.58 53.72 2kjk n ASN 65 Cb 0.00 -0.03 -0.17 0.00 -1.02 0.00 0.00 39.78 38.57 2kjk n ASN 65 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2kjk s LYS 66 N -0.71 2.40 -0.05 3.52 -2.85 -1.08 -5.13 119.74 115.83 2kjk s LYS 66 Ca 0.10 -0.62 -0.03 0.00 -1.00 0.00 0.00 55.97 54.42 2kjk s LYS 66 Cb 0.07 -2.04 -0.04 0.00 -2.06 0.00 0.00 37.83 33.76 2kjk s LYS 66 CO 0.10 -0.09 0.12 0.54 0.10 0.00 0.00 175.35 176.13 2kjk s ASN 67 N 1.05 6.08 0.26 0.03 4.22 -1.26 -2.59 114.94 122.72 2kjk s ASN 67 Ca -0.04 0.32 0.03 0.00 -2.14 0.00 0.00 52.86 51.03 2kjk s ASN 67 Cb -0.15 -1.87 -0.05 0.00 1.28 0.00 0.00 41.25 40.46 2kjk s ASN 67 CO -0.03 0.33 0.02 -1.61 -2.04 0.00 0.00 177.10 173.76 2kjk s GLU 68 N -1.46 1.43 -0.01 3.55 2.02 -1.18 -5.01 118.70 118.04 2kjk s GLU 68 Ca 0.20 -1.75 0.01 0.00 0.02 0.00 0.00 54.97 53.46 2kjk s GLU 68 Cb -0.12 -0.66 0.00 0.00 0.10 0.00 0.00 34.13 33.45 2kjk s GLU 68 CO 0.11 -0.13 -0.05 -2.00 0.02 0.00 0.00 175.26 173.21 2kjk s GLU 69 N -3.88 0.46 0.07 1.61 2.12 -1.26 -3.47 118.70 114.34 2kjk s GLU 69 Ca 0.32 -0.15 -0.12 0.00 0.36 0.00 0.00 54.97 55.38 2kjk s GLU 69 Cb 0.07 -0.47 0.01 0.00 0.26 0.00 0.00 34.13 34.00 2kjk s GLU 69 CO 0.11 0.06 0.27 0.00 -0.54 0.00 0.00 175.26 175.16 2kjk s ALA 70 N 0.12 -0.53 -0.04 6.30 0.00 -1.08 -5.00 121.76 121.53 2kjk s ALA 70 Ca -0.01 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.77 2kjk s ALA 70 Cb -0.05 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 2kjk s ALA 70 CO -0.00 -0.47 -0.23 -1.54 0.00 0.00 0.00 175.76 173.52 2kjk s SER 71 N -2.44 2.73 -0.00 0.00 1.04 -1.26 -0.35 113.70 113.42 2kjk s SER 71 Ca -0.01 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.00 2kjk s SER 71 Cb 0.01 -0.54 -0.00 0.00 0.10 0.00 0.00 66.02 65.59 2kjk s SER 71 CO -0.07 0.25 -0.05 -0.63 0.98 0.00 0.00 173.24 173.71 2kjk s ILE 72 N -0.31 0.42 0.17 -1.02 1.09 -1.15 -5.01 121.20 115.40 2kjk s ILE 72 Ca 0.02 -0.25 -0.30 0.00 -1.10 0.00 0.00 60.65 59.02 2kjk s ILE 72 Cb -0.11 -0.36 -0.07 0.00 -1.06 0.00 0.00 42.46 40.85 2kjk s ILE 72 CO 0.01 0.10 0.93 -0.75 -0.10 0.00 0.00 174.94 175.14 2kjk s LYS 73 N -0.17 4.76 0.44 2.79 2.20 -1.26 -3.58 119.74 124.92 2kjk s LYS 73 Ca 0.02 1.44 -0.24 0.00 -0.36 0.00 0.00 55.97 56.83 2kjk s LYS 73 Cb -0.02 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 32.90 2kjk s LYS 73 CO -0.00 0.38 1.21 -0.51 -0.36 0.00 0.00 175.35 176.08 2kjk s LEU 74 N -0.64 4.10 0.15 5.43 2.01 -1.08 -4.86 118.68 123.79 2kjk s LEU 74 Ca 0.43 2.44 -0.01 0.00 0.01 0.00 0.00 54.13 57.00 2kjk s LEU 74 Cb -0.25 -4.10 -0.04 0.00 0.01 0.00 0.00 46.19 41.81 2kjk s LEU 74 CO 0.30 -0.89 0.06 0.42 1.01 0.00 0.00 176.35 177.26 2kjk s THR 75 N -1.42 0.18 0.10 5.49 -4.23 -1.26 -3.32 115.64 111.18 2kjk s THR 75 Ca 0.61 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 59.09 2kjk s THR 75 Cb -0.32 -2.15 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 2kjk s THR 75 CO 0.40 -0.37 0.40 0.00 -0.54 0.00 0.00 174.62 174.51 2kjk s ALA 76 N -4.00 3.73 0.00 3.99 0.00 -1.26 -2.89 121.76 121.33 2kjk s ALA 76 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2kjk s ALA 76 Cb 0.07 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2kjk s ALA 76 CO 0.04 0.59 0.00 0.44 0.00 0.00 0.00 175.76 176.83 2kjk n ILE 77 N 0.67 0.00 -3.89 0.00 -0.00 -1.26 -4.95 119.36 109.93 2kjk n ILE 77 Ca -0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.39 2kjk n ILE 77 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.12 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 -1.02 6.37 0.58 7.28 1.01 -1.26 -4.99 116.67 124.63 2kjk s ASP 78 Ca 0.00 0.27 0.31 0.00 0.71 0.00 0.00 52.55 53.85 2kjk s ASP 78 Cb 0.00 -1.96 1.41 0.00 1.01 0.00 0.00 42.92 43.38 2kjk s ASP 78 CO 0.00 0.11 1.76 0.07 0.21 0.00 0.00 175.17 177.33 2kjk h LYS 79 N 2.71 0.00 -0.53 8.23 2.10 -1.99 0.57 116.57 127.66 2kjk h LYS 79 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2kjk h LYS 79 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2kjk h LYS 79 CO 0.73 0.00 0.00 0.36 -2.00 0.00 0.00 179.45 178.54 2kjk n LYS 80 N -3.81 2.36 -3.74 0.07 2.85 -1.26 -4.93 118.16 109.70 2kjk n LYS 80 Ca 0.17 -1.81 -0.26 0.00 -1.05 0.00 0.00 58.31 55.36 2kjk n LYS 80 Cb 1.03 -1.48 0.05 0.00 -0.65 0.00 0.00 35.03 33.98 2kjk n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kjk n GLY 81 N 1.14 -0.49 3.67 2.58 0.00 0.20 -4.94 105.19 107.35 2kjk n GLY 81 Ca 0.17 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.34 4.75 0.02 2.61 2.01 -1.26 -4.71 115.64 115.73 2kjk s THR 82 Ca 0.54 1.99 -0.36 0.00 0.31 0.00 0.00 61.69 64.17 2kjk s THR 82 Cb -0.26 -4.29 -0.15 0.00 0.01 0.00 0.00 72.50 67.81 2kjk s THR 82 CO 0.78 -0.07 1.57 -2.65 -0.69 0.00 0.00 174.62 173.56 2kjk n PRO 83 N 5.60 1.65 0.00 4.92 -0.02 -1.26 -4.25 135.00 141.63 2kjk n PRO 83 Ca 0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2kjk n PRO 83 Cb 0.48 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2kjk n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kjk n GLY 84 N 3.40 0.64 4.70 -1.23 0.00 -1.14 -4.63 105.19 106.92 2kjk n GLY 84 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2kjk n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kjk n ILE 85 N 0.00 0.00 0.00 -0.61 5.41 -1.24 -2.27 119.36 120.65 2kjk n ILE 85 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2kjk n ILE 85 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.00 1.21 3.15 7.39 0.00 -1.26 -3.99 105.19 111.69 2kjk n GLY 86 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 0.13 -0.04 -0.61 -4.36 -0.96 -3.56 121.20 109.80 2kjk s ILE 87 Ca 0.00 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2kjk s ILE 87 Cb 0.00 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 41.85 2kjk s ILE 87 CO 0.00 -0.58 -0.05 0.28 0.24 0.00 0.00 174.94 174.83 2kjk s THR 88 N -4.01 0.54 -0.13 8.37 -1.32 -1.26 -4.97 115.64 112.88 2kjk s THR 88 Ca 0.19 -0.13 -0.04 0.00 -1.21 0.00 0.00 61.69 60.50 2kjk s THR 88 Cb 0.07 -0.56 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 2kjk s THR 88 CO -0.01 0.22 0.01 -0.76 -2.21 0.00 0.00 174.62 171.87 2kjk s LEU 89 N 0.88 3.59 -0.21 9.08 2.01 -1.26 -3.02 118.68 129.74 2kjk s LEU 89 Ca -0.12 0.08 -0.14 0.00 0.01 0.00 0.00 54.13 53.97 2kjk s LEU 89 Cb -0.14 -1.85 0.06 0.00 0.01 0.00 0.00 46.19 44.26 2kjk s LEU 89 CO 0.00 0.28 0.52 -0.69 1.01 0.00 0.00 176.35 177.48 2kjk s VAL 90 N -0.31 -0.01 -0.82 -1.59 1.01 0.24 -4.95 120.40 113.97 2kjk s VAL 90 Ca 0.07 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 2kjk s VAL 90 Cb -0.12 -0.76 0.21 0.00 0.00 0.00 0.00 36.38 35.71 2kjk s VAL 90 CO 0.02 0.02 0.78 -0.62 0.00 0.00 0.00 175.10 175.30 2kjk s ASP 91 N 1.17 6.73 -0.55 3.32 2.15 -1.26 0.21 116.67 128.43 2kjk s ASP 91 Ca -0.07 -2.60 -0.28 0.00 0.43 0.00 0.00 52.55 50.03 2kjk s ASP 91 Cb -0.06 -2.22 0.03 0.00 -0.30 0.00 0.00 42.92 40.36 2kjk s ASP 91 CO -0.11 -0.62 1.24 -1.81 -0.17 0.00 0.00 175.17 173.69 2kjk s ASP 92 N 2.34 6.42 -0.84 -0.34 1.01 -1.26 -4.92 116.67 119.08 2kjk s ASP 92 Ca 0.18 0.24 -0.21 0.00 0.71 0.00 0.00 52.55 53.47 2kjk s ASP 92 Cb -0.11 -2.55 -0.14 0.00 1.01 0.00 0.00 42.92 41.13 2kjk s ASP 92 CO -0.08 -1.48 1.95 0.18 0.21 0.00 0.00 175.17 175.95 2kjk n LEU 93 N 8.56 4.29 -0.86 1.23 4.77 -1.26 -3.93 117.00 129.80 2kjk n LEU 93 Ca 0.10 -3.00 -0.02 0.00 -0.03 0.00 0.00 56.01 53.06 2kjk n LEU 93 Cb 0.49 -1.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 2kjk n LEU 93 CO 0.71 -0.28 0.26 -1.84 -1.33 0.00 0.00 177.39 174.91 2kjk n GLU 94 N 6.97 0.00 0.00 3.23 0.28 -1.26 -4.90 120.64 124.96 2kjk n GLU 94 Ca 0.50 -0.84 0.13 0.00 -0.16 0.00 0.00 57.16 56.78 2kjk n GLU 94 Cb 0.40 0.14 0.36 0.00 1.43 0.00 0.00 31.44 33.78 2kjk n GLU 94 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kjk n HIS 95 N 0.08 0.00 -3.35 -1.84 -0.00 -1.25 -5.05 115.22 103.81 2kjk n HIS 95 Ca -0.10 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.09 2kjk n HIS 95 Cb 0.71 -0.27 -0.00 0.00 -0.12 0.00 0.00 29.99 30.31 2kjk n HIS 95 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kjk n HIS 96 N -1.33 -1.86 -0.31 1.57 8.25 -1.26 -3.79 115.22 116.49 2kjk n HIS 96 Ca 0.08 0.12 -0.04 0.00 -0.26 0.00 0.00 57.72 57.62 2kjk n HIS 96 Cb 0.33 -0.04 0.08 0.00 1.12 0.00 0.00 29.99 31.49 2kjk n HIS 96 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kjk h HIS 97 N -0.09 1.06 0.00 4.41 3.86 -2.04 -3.46 115.15 118.89 2kjk h HIS 97 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2kjk h HIS 97 Cb 0.09 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.20 2kjk h HIS 97 CO 0.00 0.68 0.00 1.58 0.86 0.00 0.00 177.93 181.05 2kjk n HIS 98 N -4.49 -1.93 -2.96 2.45 -0.00 -1.25 -5.11 115.22 101.93 2kjk n HIS 98 Ca 0.09 0.12 -0.07 0.00 -0.00 0.00 0.00 57.72 57.85 2kjk n HIS 98 Cb 0.02 0.61 0.01 0.00 -0.00 0.00 0.00 29.99 30.63 2kjk n HIS 98 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kjk n HIS 99 N -2.29 -2.88 -0.40 1.57 -0.00 -1.26 -5.05 115.22 104.91 2kjk n HIS 99 Ca 0.00 1.23 0.00 0.00 -0.00 0.00 0.00 57.72 58.95 2kjk n HIS 99 Cb 0.00 -3.11 0.00 0.00 -0.00 0.00 0.00 29.99 26.88 2kjk n HIS 99 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92