#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjk s VAL 2 N 0.00 3.58 0.00 2.03 1.01 -1.26 -4.44 120.40 121.32 2kjk s VAL 2 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2kjk s VAL 2 Cb 0.00 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2kjk s VAL 2 CO 0.00 -1.34 0.00 0.29 0.00 0.00 0.00 175.10 174.05 2kjk n LYS 3 N 9.07 0.10 -0.17 2.72 5.02 -1.26 -4.85 118.16 128.79 2kjk n LYS 3 Ca 0.25 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.48 2kjk n LYS 3 Cb 0.50 -0.53 0.11 0.00 -0.02 0.00 0.00 35.03 35.08 2kjk n LYS 3 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2kjk h VAL 4 N 0.00 1.25 -3.58 -0.18 3.04 -1.98 -3.42 116.25 111.38 2kjk h VAL 4 Ca 0.00 -1.00 -0.53 0.00 -1.01 0.00 0.00 66.70 64.16 2kjk h VAL 4 Cb 0.06 0.74 0.08 0.00 -2.01 0.00 0.00 31.29 30.16 2kjk h VAL 4 CO 0.00 0.37 0.78 0.42 -1.01 0.00 0.00 177.57 178.12 2kjk s THR 5 N -5.11 2.38 -0.77 3.17 -4.23 -1.26 -3.61 115.64 106.20 2kjk s THR 5 Ca -0.11 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 60.74 2kjk s THR 5 Cb 0.15 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2kjk s THR 5 CO 0.83 0.07 0.65 -1.22 -0.54 0.00 0.00 174.62 174.41 2kjk n TYR 6 N 1.61 -2.54 0.00 3.99 4.01 -1.26 -5.02 117.16 117.96 2kjk n TYR 6 Ca 0.05 1.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.78 2kjk n TYR 6 Cb 0.39 -3.44 0.00 0.00 -0.31 0.00 0.00 39.34 35.99 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 -2.14 0.00 0.00 7.72 5.75 -1.24 -5.08 116.55 121.56 2kjk n ASP 7 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2kjk n ASP 7 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 2kjk n ASP 7 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kjk n GLY 8 N 4.12 -1.03 3.10 6.12 0.00 -1.26 -4.91 105.19 111.32 2kjk n GLY 8 Ca 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 2kjk n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjk s VAL 9 N -3.00 1.45 0.26 1.61 0.11 -1.26 -4.72 120.40 114.85 2kjk s VAL 9 Ca 0.00 -0.68 -0.08 0.00 -2.93 0.00 0.00 61.98 58.29 2kjk s VAL 9 Cb 0.00 -1.29 -0.06 0.00 -1.53 0.00 0.00 36.38 33.50 2kjk s VAL 9 CO 0.00 0.42 0.56 -0.31 -3.33 0.00 0.00 175.10 172.44 2kjk s TYR 10 N 0.48 3.45 -0.19 1.54 2.02 -1.26 -3.54 117.35 119.84 2kjk s TYR 10 Ca -0.14 0.80 -0.06 0.00 -0.37 0.00 0.00 57.07 57.30 2kjk s TYR 10 Cb -0.16 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.15 2kjk s TYR 10 CO 0.05 0.22 0.03 0.08 -1.57 0.00 0.00 175.55 174.36 2kjk s VAL 11 N -1.94 4.39 -0.13 0.71 1.01 -1.22 -4.04 120.40 119.18 2kjk s VAL 11 Ca 0.46 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 2kjk s VAL 11 Cb -0.11 -2.98 -0.26 0.00 0.00 0.00 0.00 36.38 33.03 2kjk s VAL 11 CO 0.25 0.44 0.78 0.25 0.00 0.00 0.00 175.10 176.82 2kjk h LEU 12 N 7.08 0.04 -7.20 3.92 5.85 -1.05 -2.20 115.31 121.74 2kjk h LEU 12 Ca -0.35 -0.99 0.14 0.00 0.84 0.00 0.00 57.88 57.51 2kjk h LEU 12 Cb 1.18 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.06 2kjk h LEU 12 CO 0.65 1.03 0.50 -0.94 -0.34 0.00 0.00 178.44 179.34 2kjk s SER 13 N -6.28 -0.30 -0.03 1.25 1.04 -1.25 -4.80 113.70 103.33 2kjk s SER 13 Ca -0.19 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.19 2kjk s SER 13 Cb -0.03 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 2kjk s SER 13 CO 0.70 -0.70 -0.26 -0.69 0.98 0.00 0.00 173.24 173.28 2kjk s VAL 14 N -3.15 2.07 0.00 5.02 1.01 -1.26 -3.19 120.40 120.89 2kjk s VAL 14 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2kjk s VAL 14 Cb -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2kjk s VAL 14 CO -0.06 0.58 0.00 1.17 0.00 0.00 0.00 175.10 176.79 2kjk n LYS 15 N 2.61 0.00 -0.50 2.72 3.00 -0.75 -4.88 118.16 120.36 2kjk n LYS 15 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2kjk n LYS 15 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.54 2kjk n LYS 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2kjk n GLU 16 N 0.00 0.00 0.03 1.64 4.07 -1.26 -5.01 120.64 120.10 2kjk n GLU 16 Ca 0.00 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2kjk n GLU 16 Cb 0.00 -0.01 0.00 0.00 -0.06 0.00 0.00 31.44 31.37 2kjk n GLU 16 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2kjk n ASP 17 N 0.00 -0.48 0.00 4.31 5.75 -1.26 -5.06 116.55 119.81 2kjk n ASP 17 Ca -0.00 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 2kjk n ASP 17 Cb 0.50 0.71 0.00 0.00 -1.03 0.00 0.00 41.12 41.30 2kjk n ASP 17 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2kjk n VAL 18 N -2.29 0.00 0.00 2.12 0.24 -1.26 -3.09 118.33 114.05 2kjk n VAL 18 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kjk n VAL 18 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2kjk n VAL 18 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2kjk n PRO 19 N 0.00 0.00 -0.03 7.34 -0.04 -1.26 0.14 135.00 141.14 2kjk n PRO 19 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2kjk n PRO 19 Cb 0.00 -1.04 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 2kjk n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kjk n ALA 20 N -0.46 2.18 -2.15 0.55 0.00 -1.26 -4.82 120.51 114.55 2kjk n ALA 20 Ca 0.00 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 2kjk n ALA 20 Cb 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.74 3.37 0.00 0.00 0.00 0.12 -0.53 121.76 121.98 2kjk s ALA 21 Ca -0.06 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2kjk s ALA 21 Cb 0.07 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2kjk s ALA 21 CO 0.59 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2kjk n GLY 22 N 2.29 3.17 0.37 0.00 0.00 -1.26 -4.75 105.19 105.00 2kjk n GLY 22 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.59 1.16 -3.77 -0.61 5.41 -1.17 -4.98 119.36 113.80 2kjk n ILE 23 Ca 0.00 -0.22 -0.36 0.00 1.00 0.00 0.00 62.75 63.17 2kjk n ILE 23 Cb 0.00 -1.83 -0.07 0.00 -0.71 0.00 0.00 39.64 37.03 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 -7.18 4.29 0.04 1.39 1.43 0.31 -5.10 118.68 113.87 2kjk s LEU 24 Ca -0.28 0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 2kjk s LEU 24 Cb 0.10 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2kjk s LEU 24 CO 0.35 0.27 -0.23 -2.28 0.23 0.00 0.00 176.35 174.70 2kjk s HIS 25 N -0.25 2.42 0.18 0.29 2.46 -1.26 -4.64 115.29 114.48 2kjk s HIS 25 Ca 0.12 -0.35 -0.33 0.00 0.47 0.00 0.00 55.06 54.97 2kjk s HIS 25 Cb -0.12 -1.42 -0.15 0.00 -0.13 0.00 0.00 32.58 30.76 2kjk s HIS 25 CO 0.01 0.18 1.39 0.00 -2.47 0.00 0.00 174.74 173.85 2kjk n ALA 26 N 1.70 0.43 0.00 1.58 0.00 -1.26 -1.91 120.51 121.05 2kjk n ALA 26 Ca -0.17 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2kjk n ALA 26 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 2.54 0.35 3.79 0.00 0.00 -0.83 -4.97 105.19 106.07 2kjk n GLY 27 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.44 5.83 -0.14 1.61 1.01 -0.80 -4.80 116.67 116.94 2kjk s ASP 28 Ca 0.00 1.95 0.01 0.00 0.71 0.00 0.00 52.55 55.22 2kjk s ASP 28 Cb 0.00 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.39 2kjk s ASP 28 CO 0.00 -1.13 -0.15 -0.76 0.21 0.00 0.00 175.17 173.33 2kjk s LEU 29 N -4.11 1.75 -0.11 1.23 1.02 -1.26 -3.40 118.68 113.81 2kjk s LEU 29 Ca 0.67 -0.48 -0.30 0.00 0.02 0.00 0.00 54.13 54.04 2kjk s LEU 29 Cb -0.18 -1.19 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 2kjk s LEU 29 CO 0.31 -0.02 1.26 -0.63 0.02 0.00 0.00 176.35 177.29 2kjk s ILE 30 N 1.25 4.21 -0.15 -0.59 -1.09 -1.23 -2.56 121.20 121.04 2kjk s ILE 30 Ca -0.00 1.51 -0.13 0.00 -2.23 0.00 0.00 60.65 59.80 2kjk s ILE 30 Cb -0.14 -3.97 -0.24 0.00 -1.58 0.00 0.00 42.46 36.53 2kjk s ILE 30 CO -0.07 -0.07 0.33 0.71 -1.23 0.00 0.00 174.94 174.61 2kjk h THR 31 N 5.27 0.75 -2.65 2.92 1.35 0.42 -3.39 112.91 117.57 2kjk h THR 31 Ca -0.31 -2.29 -0.08 0.00 -0.55 0.00 0.00 66.41 63.18 2kjk h THR 31 Cb 1.13 2.41 -0.18 0.00 -1.73 0.00 0.00 68.15 69.78 2kjk h THR 31 CO 0.93 0.68 -0.04 -0.70 -0.25 0.00 0.00 175.52 176.14 2kjk s GLU 32 N -2.49 0.90 -0.08 4.72 2.12 -0.91 -4.60 118.70 118.36 2kjk s GLU 32 Ca -0.24 -0.08 -0.05 0.00 0.36 0.00 0.00 54.97 54.95 2kjk s GLU 32 Cb 0.06 0.41 0.03 0.00 0.26 0.00 0.00 34.13 34.90 2kjk s GLU 32 CO 0.71 -0.29 0.21 0.42 -0.54 0.00 0.00 175.26 175.77 2kjk s ILE 33 N -1.67 -0.03 -1.40 -3.70 1.01 -0.14 -1.17 121.20 114.10 2kjk s ILE 33 Ca -0.10 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 2kjk s ILE 33 Cb -0.02 -0.31 0.04 0.00 0.01 0.00 0.00 42.46 42.17 2kjk s ILE 33 CO 0.04 0.04 0.51 -0.67 0.00 0.00 0.00 174.94 174.86 2kjk n ASP 34 N 3.74 -4.87 0.00 3.58 2.03 -1.12 -0.12 116.55 119.80 2kjk n ASP 34 Ca -0.21 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 54.80 2kjk n ASP 34 Cb 0.55 -3.98 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 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 -1.31 2.15 3.73 0.27 0.00 -1.26 -4.98 105.19 103.80 2kjk n GLY 35 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.02 4.17 -0.47 1.61 -0.21 0.84 -5.07 119.66 120.50 2kjk s GLN 36 Ca 0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 55.36 55.05 2kjk s GLN 36 Cb 0.00 -3.41 0.10 0.00 1.00 0.00 0.00 33.01 30.70 2kjk s GLN 36 CO 0.00 0.31 0.37 -1.54 -2.12 0.00 0.00 175.29 172.31 2kjk s SER 37 N 0.32 5.91 0.24 5.90 1.04 -1.26 -0.97 113.70 124.87 2kjk s SER 37 Ca 0.09 -1.62 -0.30 0.00 0.48 0.00 0.00 55.95 54.60 2kjk s SER 37 Cb -0.11 -2.09 -0.09 0.00 0.10 0.00 0.00 66.02 63.83 2kjk s SER 37 CO -0.02 -0.68 1.03 -0.36 0.98 0.00 0.00 173.24 174.20 2kjk s PHE 38 N 1.50 3.76 -0.53 5.02 0.08 -1.26 -4.95 117.98 121.60 2kjk s PHE 38 Ca 0.04 1.78 0.23 0.00 0.12 0.00 0.00 56.93 59.10 2kjk s PHE 38 Cb -0.26 -3.15 -0.02 0.00 -0.57 0.00 0.00 43.02 39.03 2kjk s PHE 38 CO 0.03 -0.10 0.96 1.63 -0.10 0.00 0.00 175.22 177.63 2kjk n LYS 39 N 1.58 0.34 -4.20 0.44 5.02 -1.26 -4.86 118.16 115.22 2kjk n LYS 39 Ca -0.01 -0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.07 2kjk n LYS 39 Cb 0.46 -1.60 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 2kjk n LYS 39 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2kjk s SER 40 N -4.06 1.86 0.04 4.39 0.01 -1.26 -4.73 113.70 109.95 2kjk s SER 40 Ca 0.02 -0.65 -0.25 0.00 1.31 0.00 0.00 55.95 56.38 2kjk s SER 40 Cb 0.14 -0.07 -0.17 0.00 0.21 0.00 0.00 66.02 66.13 2kjk s SER 40 CO 0.82 -0.06 1.49 -1.28 0.41 0.00 0.00 173.24 174.61 2kjk h SER 41 N 4.18 -0.15 -0.79 2.44 0.87 -1.92 -2.86 113.55 115.33 2kjk h SER 41 Ca -0.42 -0.17 0.16 0.00 -1.23 0.00 0.00 61.79 60.13 2kjk h SER 41 Cb 1.19 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.13 2kjk h SER 41 CO 0.41 0.09 0.52 1.56 -0.53 0.00 0.00 176.83 178.88 2kjk h GLN 42 N -0.39 0.41 -0.50 2.24 4.20 -1.99 0.25 115.11 119.33 2kjk h GLN 42 Ca -0.02 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2kjk h GLN 42 Cb 0.31 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2kjk h GLN 42 CO 0.03 0.27 0.06 1.49 -0.67 0.00 0.00 178.83 180.01 2kjk h GLU 43 N 0.42 0.79 -0.10 1.46 4.57 -1.94 -2.38 114.58 117.40 2kjk h GLU 43 Ca 0.39 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2kjk h GLU 43 Cb 0.91 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2kjk h GLU 43 CO -0.13 0.76 -0.01 0.35 -1.18 0.00 0.00 179.01 178.80 2kjk h PHE 44 N 0.75 0.20 -0.51 0.92 3.57 -0.34 -2.72 116.94 118.81 2kjk h PHE 44 Ca 0.16 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.76 2kjk h PHE 44 Cb 0.37 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2kjk h PHE 44 CO 0.02 0.46 0.43 0.82 -2.23 0.00 0.00 178.31 177.81 2kjk h ILE 45 N -0.11 0.54 -0.17 1.41 1.08 -1.05 0.31 117.51 119.52 2kjk h ILE 45 Ca 0.03 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.35 2kjk h ILE 45 Cb 0.38 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 2kjk h ILE 45 CO 0.01 0.00 -0.52 0.44 -0.69 0.00 0.00 178.15 177.39 2kjk h ASP 46 N 0.00 0.52 -0.21 1.72 3.32 -1.11 -3.15 116.42 117.51 2kjk h ASP 46 Ca 0.24 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2kjk h ASP 46 Cb 1.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2kjk h ASP 46 CO -0.00 0.94 -0.04 0.22 -1.72 0.00 0.00 179.24 178.64 2kjk h TYR 47 N 0.37 0.45 -0.95 4.55 3.20 -0.33 -2.10 116.97 122.15 2kjk h TYR 47 Ca 0.01 -0.09 0.14 0.00 3.14 0.00 0.00 58.73 61.93 2kjk h TYR 47 Cb 1.03 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 39.11 2kjk h TYR 47 CO 0.04 0.63 0.60 0.82 -1.64 0.00 0.00 178.16 178.61 2kjk h ILE 48 N 0.14 0.84 0.00 1.81 2.04 -1.42 0.21 117.51 121.13 2kjk h ILE 48 Ca 0.06 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2kjk h ILE 48 Cb 0.48 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2kjk h ILE 48 CO 0.02 0.15 -0.17 0.45 0.00 0.00 0.00 178.15 178.59 2kjk h HIS 49 N 0.81 0.00 0.00 1.37 3.86 -1.51 -3.33 115.15 116.34 2kjk h HIS 49 Ca 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 2kjk h HIS 49 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2kjk h HIS 49 CO -0.00 0.09 0.00 0.45 0.86 0.00 0.00 177.93 179.33 2kjk n SER 50 N -3.09 4.22 -0.96 2.45 2.88 0.75 -4.77 113.62 115.12 2kjk n SER 50 Ca 0.03 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 55.43 2kjk n SER 50 Cb 0.57 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2kjk n SER 50 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kjk n LYS 51 N 1.26 0.00 -4.33 -1.46 4.76 -1.25 -5.02 118.16 112.12 2kjk n LYS 51 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 2kjk n LYS 51 Cb 0.45 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.54 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 -1.88 1.36 0.28 1.97 -0.14 -1.26 -4.81 119.74 115.26 2kjk s LYS 52 Ca 0.00 -1.70 -0.29 0.00 -1.36 0.00 0.00 55.97 52.62 2kjk s LYS 52 Cb 0.00 -0.57 -0.10 0.00 -1.68 0.00 0.00 37.83 35.48 2kjk s LYS 52 CO 0.00 -0.13 1.30 0.08 -0.76 0.00 0.00 175.35 175.83 2kjk s VAL 53 N -3.47 2.95 0.00 3.17 1.01 -1.26 -2.72 120.40 120.08 2kjk s VAL 53 Ca 0.30 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2kjk s VAL 53 Cb 0.06 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2kjk s VAL 53 CO 0.10 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2kjk n GLY 54 N 1.47 1.06 0.00 4.51 0.00 -1.11 -5.00 105.19 106.12 2kjk n GLY 54 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.60 -3.79 1.61 9.92 -1.10 -4.73 116.55 116.86 2kjk n ASP 55 Ca 0.00 -0.09 -0.13 0.00 -0.53 0.00 0.00 54.79 54.04 2kjk n ASP 55 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2kjk n ASP 55 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kjk s THR 56 N -0.89 -0.00 0.07 -3.53 2.01 -1.26 -3.31 115.64 108.72 2kjk s THR 56 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 2kjk s THR 56 Cb 0.00 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 2kjk s THR 56 CO 0.00 0.00 0.03 0.54 -0.69 0.00 0.00 174.62 174.50 2kjk s VAL 57 N 0.14 0.19 -0.19 3.82 0.11 -1.02 -4.99 120.40 118.45 2kjk s VAL 57 Ca -0.00 -1.70 -0.03 0.00 -2.93 0.00 0.00 61.98 57.32 2kjk s VAL 57 Cb -0.02 -1.56 -0.01 0.00 -1.53 0.00 0.00 36.38 33.26 2kjk s VAL 57 CO 0.00 -0.85 -0.07 -0.75 -3.33 0.00 0.00 175.10 170.09 2kjk s LYS 58 N -3.93 3.38 -0.06 1.54 2.20 -1.26 -2.78 119.74 118.83 2kjk s LYS 58 Ca 0.09 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 55.02 2kjk s LYS 58 Cb 0.07 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 2kjk s LYS 58 CO -0.08 -0.06 0.14 -1.50 -0.36 0.00 0.00 175.35 173.48 2kjk s ILE 59 N 1.10 5.30 -0.16 5.43 2.07 -1.23 -2.77 121.20 130.94 2kjk s ILE 59 Ca 0.01 -0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.19 2kjk s ILE 59 Cb -0.15 -3.38 0.05 0.00 0.13 0.00 0.00 42.46 39.11 2kjk s ILE 59 CO -0.01 0.47 0.01 -0.75 -1.91 0.00 0.00 174.94 172.75 2kjk s LYS 60 N -1.46 0.81 0.06 3.50 2.47 -0.32 -3.88 119.74 120.93 2kjk s LYS 60 Ca 0.21 -0.32 -0.06 0.00 -1.56 0.00 0.00 55.97 54.24 2kjk s LYS 60 Cb -0.12 -1.81 -0.01 0.00 -1.46 0.00 0.00 37.83 34.42 2kjk s LYS 60 CO 0.11 -0.51 0.11 1.52 0.16 0.00 0.00 175.35 176.74 2kjk s TYR 61 N 1.84 0.24 -0.24 4.03 -0.85 -1.26 0.11 117.35 121.22 2kjk s TYR 61 Ca 0.01 -0.64 -0.01 0.00 -0.52 0.00 0.00 57.07 55.91 2kjk s TYR 61 Cb -0.16 -0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.06 2kjk s TYR 61 CO -0.07 -0.44 -0.09 0.21 -1.52 0.00 0.00 175.55 173.64 2kjk s LYS 62 N -3.37 2.84 -0.22 -3.49 2.20 -1.06 -3.70 119.74 112.94 2kjk s LYS 62 Ca 0.01 -0.97 0.01 0.00 -0.36 0.00 0.00 55.97 54.67 2kjk s LYS 62 Cb 0.03 -2.91 0.03 0.00 -1.51 0.00 0.00 37.83 33.48 2kjk s LYS 62 CO -0.08 -0.37 -0.14 -1.58 -0.36 0.00 0.00 175.35 172.82 2kjk s HIS 63 N 1.31 3.00 0.00 4.03 5.65 -1.25 -4.14 115.29 123.89 2kjk s HIS 63 Ca 0.00 -1.82 0.00 0.00 0.25 0.00 0.00 55.06 53.49 2kjk s HIS 63 Cb -0.16 -1.96 0.00 0.00 -1.18 0.00 0.00 32.58 29.28 2kjk s HIS 63 CO -0.06 -0.81 0.00 0.41 -0.65 0.00 0.00 174.74 173.64 2kjk n GLY 64 N 4.58 1.35 0.67 1.59 0.00 -1.26 -3.31 105.19 108.80 2kjk n GLY 64 Ca -0.18 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 5.11 2.48 -4.06 1.61 5.03 -1.26 -4.93 115.26 119.25 2kjk n ASN 65 Ca 0.00 -1.71 -0.31 0.00 0.87 0.00 0.00 54.58 53.42 2kjk n ASN 65 Cb 0.00 -0.07 -0.16 0.00 -1.02 0.00 0.00 39.78 38.53 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 -1.22 2.59 -0.16 3.52 -2.85 -1.21 -5.11 119.74 115.31 2kjk s LYS 66 Ca 0.21 -0.71 -0.27 0.00 -1.00 0.00 0.00 55.97 54.20 2kjk s LYS 66 Cb 0.14 -2.35 -0.01 0.00 -2.06 0.00 0.00 37.83 33.55 2kjk s LYS 66 CO 0.20 -0.24 0.89 -0.80 0.10 0.00 0.00 175.35 175.49 2kjk s ASN 67 N 1.39 7.04 -0.02 0.03 -0.87 -1.26 -3.83 114.94 117.41 2kjk s ASN 67 Ca 0.04 1.28 0.05 0.00 -1.57 0.00 0.00 52.86 52.66 2kjk s ASN 67 Cb -0.13 -2.49 -0.03 0.00 -0.02 0.00 0.00 41.25 38.58 2kjk s ASN 67 CO -0.11 -0.43 -0.15 -1.61 -2.57 0.00 0.00 177.10 172.23 2kjk s GLU 68 N 2.17 2.37 -0.04 -0.60 2.02 -1.24 -5.04 118.70 118.35 2kjk s GLU 68 Ca 0.41 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.66 2kjk s GLU 68 Cb -0.17 -2.33 -0.01 0.00 0.10 0.00 0.00 34.13 31.73 2kjk s GLU 68 CO 0.13 0.59 -0.19 -2.00 0.02 0.00 0.00 175.26 173.82 2kjk s GLU 69 N -1.02 1.83 -0.14 1.61 -6.30 -1.26 -4.04 118.70 109.38 2kjk s GLU 69 Ca 0.13 -0.68 -0.07 0.00 -2.50 0.00 0.00 54.97 51.86 2kjk s GLU 69 Cb -0.11 -1.63 0.06 0.00 0.00 0.00 0.00 34.13 32.45 2kjk s GLU 69 CO 0.03 0.31 0.32 0.00 0.02 0.00 0.00 175.26 175.94 2kjk s ALA 70 N -0.14 -0.77 0.10 6.30 0.00 -1.25 -5.04 121.76 120.97 2kjk s ALA 70 Ca -0.00 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 2kjk s ALA 70 Cb -0.11 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 2kjk s ALA 70 CO 0.02 -0.30 0.66 -1.12 0.00 0.00 0.00 175.76 175.02 2kjk s SER 71 N 1.51 7.20 0.02 0.00 0.01 -1.26 -3.51 113.70 117.66 2kjk s SER 71 Ca -0.08 1.42 -0.00 0.00 1.31 0.00 0.00 55.95 58.60 2kjk s SER 71 Cb -0.10 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 2kjk s SER 71 CO -0.10 0.23 -0.03 0.27 0.41 0.00 0.00 173.24 174.02 2kjk s ILE 72 N -1.04 0.11 -0.01 1.44 -4.36 -1.12 -5.01 121.20 111.21 2kjk s ILE 72 Ca 0.32 -0.89 -0.15 0.00 -0.26 0.00 0.00 60.65 59.67 2kjk s ILE 72 Cb -0.21 -0.26 -0.06 0.00 1.25 0.00 0.00 42.46 43.18 2kjk s ILE 72 CO 0.22 -0.49 0.41 -1.59 0.24 0.00 0.00 174.94 173.73 2kjk s LYS 73 N -1.44 3.96 0.63 0.37 -2.85 -1.26 -2.44 119.74 116.71 2kjk s LYS 73 Ca -0.16 0.41 -0.18 0.00 -1.00 0.00 0.00 55.97 55.05 2kjk s LYS 73 Cb -0.10 -3.24 -0.02 0.00 -2.06 0.00 0.00 37.83 32.41 2kjk s LYS 73 CO -0.01 0.64 1.22 -0.51 0.10 0.00 0.00 175.35 176.79 2kjk s LEU 74 N -0.92 3.59 0.08 2.77 2.01 -1.21 -4.91 118.68 120.09 2kjk s LEU 74 Ca 0.24 2.42 0.01 0.00 0.01 0.00 0.00 54.13 56.80 2kjk s LEU 74 Cb -0.17 -4.60 -0.04 0.00 0.01 0.00 0.00 46.19 41.39 2kjk s LEU 74 CO 0.13 -1.77 -0.05 0.42 1.01 0.00 0.00 176.35 176.08 2kjk s THR 75 N -1.64 0.51 0.10 5.49 -4.23 -1.21 -2.74 115.64 111.92 2kjk s THR 75 Ca 0.78 -1.83 -0.28 0.00 -1.18 0.00 0.00 61.69 59.17 2kjk s THR 75 Cb -0.31 -1.55 -0.06 0.00 1.34 0.00 0.00 72.50 71.92 2kjk s THR 75 CO 0.36 -0.89 0.90 0.00 -0.54 0.00 0.00 174.62 174.45 2kjk s ALA 76 N -3.59 3.29 0.00 3.99 0.00 -1.26 -0.68 121.76 123.52 2kjk s ALA 76 Ca 0.09 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2kjk s ALA 76 Cb 0.05 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2kjk s ALA 76 CO -0.06 0.03 0.02 0.44 0.00 0.00 0.00 175.76 176.18 2kjk n ILE 77 N 2.67 0.00 -4.32 0.00 -0.00 -1.25 -4.96 119.36 111.49 2kjk n ILE 77 Ca 0.00 -0.13 -0.22 0.00 -0.00 0.00 0.00 62.75 62.40 2kjk n ILE 77 Cb 0.49 1.11 -0.13 0.00 -0.00 0.00 0.00 39.64 41.11 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 -0.23 2.10 0.47 7.28 1.01 -1.26 -5.03 116.67 121.01 2kjk s ASP 78 Ca 0.00 -0.59 0.27 0.00 0.71 0.00 0.00 52.55 52.94 2kjk s ASP 78 Cb 0.00 -0.12 1.32 0.00 1.01 0.00 0.00 42.92 45.14 2kjk s ASP 78 CO 0.00 0.03 1.79 0.11 0.21 0.00 0.00 175.17 177.31 2kjk h LYS 79 N 4.45 0.19 0.00 8.23 1.79 -1.98 0.81 116.57 130.05 2kjk h LYS 79 Ca -0.42 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2kjk h LYS 79 Cb 1.18 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2kjk h LYS 79 CO 0.41 0.13 0.00 0.36 -1.08 0.00 0.00 179.45 179.27 2kjk n LYS 80 N -4.42 0.95 -3.61 3.15 2.85 -1.26 -4.89 118.16 110.94 2kjk n LYS 80 Ca 0.25 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.29 2kjk n LYS 80 Cb 1.04 -1.13 0.06 0.00 -0.65 0.00 0.00 35.03 34.36 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 0.57 -0.40 3.65 2.58 0.00 0.28 -4.95 105.19 106.92 2kjk n GLY 81 Ca 0.06 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.43 4.61 0.02 2.61 2.01 -1.25 -4.91 115.64 115.30 2kjk s THR 82 Ca 0.23 1.92 -0.35 0.00 0.31 0.00 0.00 61.69 63.80 2kjk s THR 82 Cb -0.11 -4.31 -0.14 0.00 0.01 0.00 0.00 72.50 67.95 2kjk s THR 82 CO 0.77 -0.25 1.64 -2.65 -0.69 0.00 0.00 174.62 173.44 2kjk n PRO 83 N 6.48 1.83 0.00 4.92 -0.02 -1.26 -3.97 135.00 142.98 2kjk n PRO 83 Ca 0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2kjk n PRO 83 Cb 0.46 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.61 0.35 4.02 -1.23 0.00 0.15 -4.37 105.19 107.72 2kjk n GLY 84 Ca 0.20 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 2kjk n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kjk s ILE 85 N -2.00 2.63 -0.93 -0.61 -0.00 -1.26 -3.34 121.20 115.69 2kjk s ILE 85 Ca 0.00 -0.96 -0.07 0.00 -0.00 0.00 0.00 60.65 59.62 2kjk s ILE 85 Cb 0.00 -2.67 0.24 0.00 -0.00 0.00 0.00 42.46 40.02 2kjk s ILE 85 CO 0.00 0.00 0.86 -0.83 -0.00 0.00 0.00 174.94 174.97 2kjk s GLY 86 N -4.49 2.98 0.19 6.27 0.00 -1.26 -4.93 107.32 106.09 2kjk s GLY 86 Ca 0.58 -3.67 -0.05 0.00 0.00 0.00 0.00 44.72 41.59 2kjk s GLY 86 CO 0.36 1.25 0.21 -0.26 0.00 0.00 0.00 173.10 174.66 2kjk s ILE 87 N -0.84 0.03 -0.05 0.90 -0.00 -1.26 -1.81 121.20 118.17 2kjk s ILE 87 Ca 0.25 -1.76 0.03 0.00 -0.00 0.00 0.00 60.65 59.18 2kjk s ILE 87 Cb -0.10 -2.23 0.01 0.00 -0.00 0.00 0.00 42.46 40.13 2kjk s ILE 87 CO -0.09 -0.15 -0.14 -0.89 -0.00 0.00 0.00 174.94 173.67 2kjk s THR 88 N -4.07 1.20 0.24 8.37 2.01 -1.19 -5.02 115.64 117.17 2kjk s THR 88 Ca 0.29 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.78 2kjk s THR 88 Cb 0.05 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 2kjk s THR 88 CO 0.07 0.36 0.37 -0.76 -0.69 0.00 0.00 174.62 173.97 2kjk s LEU 89 N 0.37 4.30 0.09 4.42 2.01 -1.26 -0.38 118.68 128.22 2kjk s LEU 89 Ca -0.09 0.11 0.04 0.00 0.01 0.00 0.00 54.13 54.19 2kjk s LEU 89 Cb -0.13 -2.90 -0.04 0.00 0.01 0.00 0.00 46.19 43.13 2kjk s LEU 89 CO 0.03 -0.07 0.06 0.68 1.01 0.00 0.00 176.35 178.05 2kjk s VAL 90 N -1.98 4.37 -0.45 -1.59 -7.23 -1.26 -4.87 120.40 107.39 2kjk s VAL 90 Ca 0.34 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.71 2kjk s VAL 90 Cb -0.09 -3.10 0.26 0.00 0.56 0.00 0.00 36.38 34.00 2kjk s VAL 90 CO 0.29 0.12 1.00 -0.90 -0.31 0.00 0.00 175.10 175.30 2kjk n ASP 91 N 0.47 -2.50 0.00 4.85 5.75 -1.26 -4.88 116.55 118.97 2kjk n ASP 91 Ca -0.09 -3.06 0.00 0.00 -0.01 0.00 0.00 54.79 51.63 2kjk n ASP 91 Cb 0.52 1.64 0.00 0.00 -1.03 0.00 0.00 41.12 42.25 2kjk n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2kjk n ASP 92 N 1.40 0.00 -3.48 -1.12 5.75 -1.26 -4.89 116.55 112.95 2kjk n ASP 92 Ca 0.07 0.52 -0.20 0.00 -0.01 0.00 0.00 54.79 55.16 2kjk n ASP 92 Cb 0.66 -0.02 0.03 0.00 -1.03 0.00 0.00 41.12 40.76 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 -0.96 -4.09 -2.14 -2.12 4.77 -1.26 -4.48 117.00 106.72 2kjk n LEU 93 Ca 0.00 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 2kjk n LEU 93 Cb 0.00 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 38.47 2kjk n LEU 93 CO 0.00 0.01 -0.43 -0.62 -1.33 0.00 0.00 177.39 175.02 2kjk n GLU 94 N -3.20 -4.82 0.00 3.23 1.02 -1.26 -4.85 120.64 110.76 2kjk n GLU 94 Ca -0.10 3.43 0.14 0.00 -0.02 0.00 0.00 57.16 60.60 2kjk n GLU 94 Cb 0.59 -3.99 0.51 0.00 -0.02 0.00 0.00 31.44 28.53 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 1.91 0.00 -3.90 -0.32 8.25 -1.26 -4.93 115.22 114.97 2kjk n HIS 95 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 2kjk n HIS 95 Cb 0.00 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 30.94 2kjk n HIS 95 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kjk n HIS 96 N -0.91 -2.14 -1.97 4.41 -0.00 -1.26 -4.91 115.22 108.44 2kjk n HIS 96 Ca 0.13 0.83 -0.36 0.00 -0.00 0.00 0.00 57.72 58.32 2kjk n HIS 96 Cb 0.31 -3.69 0.04 0.00 -0.00 0.00 0.00 29.99 26.64 2kjk n HIS 96 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kjk s HIS 97 N -3.25 2.34 0.00 4.41 -3.43 -1.26 -4.91 115.29 109.18 2kjk s HIS 97 Ca 0.65 1.51 0.00 0.00 -0.80 0.00 0.00 55.06 56.42 2kjk s HIS 97 Cb -0.33 -3.52 0.00 0.00 -1.43 0.00 0.00 32.58 27.30 2kjk s HIS 97 CO 0.80 -2.34 0.00 0.72 -2.00 0.00 0.00 174.74 171.93 2kjk n HIS 98 N -1.65 0.00 -0.11 0.38 8.25 -1.26 -4.92 115.22 115.91 2kjk n HIS 98 Ca 0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.50 2kjk n HIS 98 Cb 0.49 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2kjk n HIS 98 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kjk h HIS 99 N 0.00 0.53 0.00 4.41 -0.00 -2.02 -3.57 115.15 114.51 2kjk h HIS 99 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 2kjk h HIS 99 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 2kjk h HIS 99 CO 0.00 0.52 0.00 1.58 -0.00 0.00 0.00 177.93 180.03