#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j23 n HIS -7 N 0.00 0.09 -3.57 1.57 -0.00 -1.26 -5.03 115.22 107.02 2j23 n HIS -7 Ca 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 57.72 57.70 2j23 n HIS -7 Cb 0.00 -0.90 -0.02 0.00 -0.00 0.00 0.00 29.99 29.07 2j23 n HIS -7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2j23 s HIS -6 N -2.75 -0.22 0.09 1.57 0.00 -1.26 -5.16 115.29 107.57 2j23 s HIS -6 Ca -0.09 0.10 0.01 0.00 -3.00 0.00 0.00 55.06 52.08 2j23 s HIS -6 Cb 0.08 0.54 -0.04 0.00 -4.00 0.00 0.00 32.58 29.16 2j23 s HIS -6 CO 0.85 -0.42 0.18 -1.01 -1.00 0.00 0.00 174.74 173.34 2j23 s HIS -5 N -2.82 3.41 0.44 0.38 4.02 -1.26 -5.12 115.29 114.34 2j23 s HIS -5 Ca 0.08 0.17 -0.09 0.00 1.02 0.00 0.00 55.06 56.24 2j23 s HIS -5 Cb -0.01 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.58 29.81 2j23 s HIS -5 CO -0.06 0.56 0.79 -0.51 1.02 0.00 0.00 174.74 176.54 2j23 s LEU -4 N -2.64 3.73 -0.40 0.89 1.43 -1.26 -5.05 118.68 115.38 2j23 s LEU -4 Ca 0.33 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2j23 s LEU -4 Cb -0.12 -4.00 0.13 0.00 0.03 0.00 0.00 46.19 42.23 2j23 s LEU -4 CO 0.26 -0.49 0.21 -0.69 0.23 0.00 0.00 176.35 175.87 2j23 s VAL -3 N -2.54 1.01 0.00 -1.59 1.01 -1.26 -5.32 120.40 111.70 2j23 s VAL -3 Ca 0.50 -2.15 0.00 0.00 0.00 0.00 0.00 61.98 60.33 2j23 s VAL -3 Cb -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2j23 s VAL -3 CO 0.37 -0.88 0.00 -2.65 0.00 0.00 0.00 175.10 171.94 2j23 n PRO -2 N 3.89 2.93 -4.12 2.72 -0.02 -1.26 -5.20 135.00 133.93 2j23 n PRO -2 Ca 0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.21 2j23 n PRO -2 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.74 2j23 n PRO -2 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2j23 s VAL 2 N 0.00 4.54 -0.03 -1.45 1.01 -1.26 -5.17 120.40 118.03 2j23 s VAL 2 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2j23 s VAL 2 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2j23 s VAL 2 CO 0.00 0.47 -0.14 -1.58 0.00 0.00 0.00 175.10 173.85 2j23 s GLN 3 N 0.33 2.45 0.12 2.72 0.74 -0.69 -4.97 119.66 120.36 2j23 s GLN 3 Ca 0.01 -0.73 -0.30 0.00 0.05 0.00 0.00 55.36 54.39 2j23 s GLN 3 Cb -0.13 -2.36 -0.06 0.00 1.10 0.00 0.00 33.01 31.56 2j23 s GLN 3 CO 0.01 0.61 1.07 0.08 -0.55 0.00 0.00 175.29 176.51 2j23 s VAL 4 N -0.77 4.18 -0.30 1.34 1.01 -1.26 -1.18 120.40 123.41 2j23 s VAL 4 Ca 0.12 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 2j23 s VAL 4 Cb -0.11 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2j23 s VAL 4 CO 0.01 0.24 0.36 -0.63 0.00 0.00 0.00 175.10 175.09 2j23 s ILE 5 N 0.23 5.17 -1.47 2.22 1.01 -0.48 -4.90 121.20 122.97 2j23 s ILE 5 Ca 0.51 0.34 0.12 0.00 0.00 0.00 0.00 60.65 61.62 2j23 s ILE 5 Cb -0.27 -3.75 0.12 0.00 0.01 0.00 0.00 42.46 38.57 2j23 s ILE 5 CO 0.32 0.05 0.92 -1.54 0.00 0.00 0.00 174.94 174.69 2j23 n SER 6 N 5.36 2.11 -3.56 3.58 3.41 -1.26 -4.72 113.62 118.53 2j23 n SER 6 Ca -0.09 -1.55 -0.12 0.00 -0.26 0.00 0.00 58.87 56.85 2j23 n SER 6 Cb 0.50 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 2j23 n SER 6 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2j23 s SER 7 N -1.01 -0.39 0.24 4.04 1.04 -1.26 -5.03 113.70 111.32 2j23 s SER 7 Ca 0.15 -0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 2j23 s SER 7 Cb 0.10 0.51 0.23 0.00 0.10 0.00 0.00 66.02 66.96 2j23 s SER 7 CO 0.15 -0.82 1.90 0.22 0.98 0.00 0.00 173.24 175.68 2j23 h TYR 8 N 2.47 1.19 -0.67 5.02 3.20 -1.98 -1.47 116.97 124.74 2j23 h TYR 8 Ca -0.33 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.59 2j23 h TYR 8 Cb 1.25 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 2j23 h TYR 8 CO 0.32 0.77 0.41 -0.44 -1.64 0.00 0.00 178.16 177.58 2j23 h ASP 9 N 1.27 0.66 -0.52 -2.11 3.32 -1.99 -0.97 116.42 116.08 2j23 h ASP 9 Ca 0.34 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 2j23 h ASP 9 Cb -0.11 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2j23 h ASP 9 CO -0.07 0.46 0.13 -0.61 -1.72 0.00 0.00 179.24 177.43 2j23 h GLN 10 N 0.80 0.82 -0.35 3.56 4.15 -1.88 -1.42 115.11 120.79 2j23 h GLN 10 Ca 0.27 -0.20 0.07 0.00 0.77 0.00 0.00 58.65 59.56 2j23 h GLN 10 Cb 0.04 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.56 2j23 h GLN 10 CO -0.12 0.79 -0.06 0.35 -1.93 0.00 0.00 178.83 177.86 2j23 h PHE 11 N 0.72 -0.13 -0.38 3.99 3.57 -0.79 -0.11 116.94 123.81 2j23 h PHE 11 Ca 0.16 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2j23 h PHE 11 Cb 0.33 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2j23 h PHE 11 CO 0.02 -0.12 -0.09 0.87 -2.23 0.00 0.00 178.31 176.76 2j23 h LYS 12 N 0.03 0.66 0.05 1.11 1.79 -0.99 -2.48 116.57 116.73 2j23 h LYS 12 Ca 0.17 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2j23 h LYS 12 Cb 0.25 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2j23 h LYS 12 CO -0.33 0.74 -0.02 0.37 -1.08 0.00 0.00 179.45 179.13 2j23 h GLN 13 N 0.61 -0.06 0.00 3.15 -0.00 -0.81 -2.40 115.11 115.60 2j23 h GLN 13 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.72 2j23 h GLN 13 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 2j23 h GLN 13 CO 0.03 0.21 -0.22 -0.39 0.00 0.00 0.00 178.83 178.46 2j23 h VAL 14 N -0.33 0.53 -0.02 2.39 -1.51 -0.97 -2.84 116.25 113.50 2j23 h VAL 14 Ca -0.01 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 2j23 h VAL 14 Cb 0.30 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2j23 h VAL 14 CO 0.01 0.22 -0.16 0.35 -1.23 0.00 0.00 177.57 176.76 2j23 n THR 15 N -3.36 0.00 0.86 7.19 -2.24 -0.94 -4.42 114.28 111.37 2j23 n THR 15 Ca 0.00 -0.27 0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2j23 n THR 15 Cb 0.44 0.83 0.29 0.00 -2.10 0.00 0.00 70.33 69.79 2j23 n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j23 n GLY 16 N 1.30 0.81 3.00 3.38 0.00 -0.90 0.07 105.19 112.85 2j23 n GLY 16 Ca 0.14 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 2j23 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j23 n GLY 17 N 1.23 3.41 0.20 -0.02 0.00 -1.26 -4.16 105.19 104.59 2j23 n GLY 17 Ca 0.17 -2.32 0.03 0.00 0.00 0.00 0.00 46.02 43.89 2j23 n GLY 17 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2j23 h ASP 18 N 0.85 0.05 -3.00 1.61 3.58 -1.95 0.42 116.42 117.98 2j23 h ASP 18 Ca -0.33 -0.01 -0.53 0.00 0.42 0.00 0.00 57.03 56.58 2j23 h ASP 18 Cb 1.04 -0.01 0.02 0.00 1.72 0.00 0.00 39.33 42.09 2j23 h ASP 18 CO 0.53 0.34 0.73 -0.75 -2.88 0.00 0.00 179.24 177.21 2j23 s LYS 19 N -4.39 4.32 0.26 0.28 2.20 -1.26 -4.76 119.74 116.40 2j23 s LYS 19 Ca -0.04 2.05 -0.29 0.00 -0.36 0.00 0.00 55.97 57.33 2j23 s LYS 19 Cb 0.15 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 33.09 2j23 s LYS 19 CO 0.72 -0.44 1.15 0.08 -0.36 0.00 0.00 175.35 176.50 2j23 s VAL 20 N 1.25 3.39 0.09 4.02 1.01 -1.26 -4.70 120.40 124.20 2j23 s VAL 20 Ca 0.64 1.34 0.06 0.00 0.00 0.00 0.00 61.98 64.03 2j23 s VAL 20 Cb -0.36 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2j23 s VAL 20 CO 0.30 0.29 -0.16 0.68 0.00 0.00 0.00 175.10 176.21 2j23 s VAL 21 N -0.88 1.32 -0.08 2.92 -7.23 -0.65 -1.33 120.40 114.46 2j23 s VAL 21 Ca 0.47 -1.42 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 2j23 s VAL 21 Cb -0.33 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2j23 s VAL 21 CO 0.42 -0.20 -0.19 0.54 -0.31 0.00 0.00 175.10 175.36 2j23 s VAL 22 N -1.34 1.63 -0.13 1.32 0.11 0.35 -0.91 120.40 121.44 2j23 s VAL 22 Ca 0.02 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2j23 s VAL 22 Cb -0.09 -1.43 -0.00 0.00 -1.53 0.00 0.00 36.38 33.33 2j23 s VAL 22 CO 0.03 0.46 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.45 2j23 s ILE 23 N 0.39 2.46 -0.45 7.04 1.01 -0.01 -1.01 121.20 130.63 2j23 s ILE 23 Ca -0.14 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 2j23 s ILE 23 Cb -0.16 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.34 2j23 s ILE 23 CO 0.06 0.54 0.71 -0.62 0.00 0.00 0.00 174.94 175.63 2j23 s ASP 24 N 0.59 6.36 -0.36 3.58 -1.08 -0.07 -1.33 116.67 124.36 2j23 s ASP 24 Ca -0.11 -0.26 -0.22 0.00 -0.52 0.00 0.00 52.55 51.44 2j23 s ASP 24 Cb -0.16 -2.35 0.01 0.00 -1.46 0.00 0.00 42.92 38.95 2j23 s ASP 24 CO 0.03 -0.86 0.73 -0.36 0.52 0.00 0.00 175.17 175.23 2j23 s PHE 25 N 3.06 3.13 0.28 -5.34 0.40 -0.01 -1.13 117.98 118.38 2j23 s PHE 25 Ca 0.26 0.49 0.03 0.00 -0.60 0.00 0.00 56.93 57.11 2j23 s PHE 25 Cb -0.13 -3.29 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 2j23 s PHE 25 CO 0.20 -0.68 0.16 1.67 0.70 0.00 0.00 175.22 177.27 2j23 s TRP 26 N 2.94 1.52 0.04 0.36 1.48 -0.65 -2.53 118.94 122.10 2j23 s TRP 26 Ca 0.29 -1.40 -0.16 0.00 -1.06 0.00 0.00 56.10 53.77 2j23 s TRP 26 Cb -0.14 -0.78 0.03 0.00 -1.16 0.00 0.00 33.47 31.43 2j23 s TRP 26 CO 0.16 -0.58 0.37 0.00 -4.06 0.00 0.00 176.95 172.84 2j23 s ALA 27 N -3.72 -0.88 0.42 2.67 0.00 -1.26 -1.49 121.76 117.48 2j23 s ALA 27 Ca 0.37 0.20 0.19 0.00 0.00 0.00 0.00 51.96 52.72 2j23 s ALA 27 Cb 0.05 0.33 1.11 0.00 0.00 0.00 0.00 23.12 24.62 2j23 s ALA 27 CO 0.17 -0.44 1.99 1.79 0.00 0.00 0.00 175.76 179.27 2j23 h THR 28 N 3.10 0.94 -0.00 0.00 1.35 -2.00 -2.61 112.91 113.68 2j23 h THR 28 Ca -0.31 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 2j23 h THR 28 Cb 1.20 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2j23 h THR 28 CO 0.44 0.19 -0.34 -2.67 -0.25 0.00 0.00 175.52 172.89 2j23 n TRP 29 N -4.01 0.00 -2.72 4.73 4.27 -1.26 -4.86 117.44 113.58 2j23 n TRP 29 Ca -0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.16 2j23 n TRP 29 Cb 0.28 -0.26 -0.03 0.00 -1.36 0.00 0.00 31.31 29.93 2j23 n TRP 29 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2j23 h GLY 31 N 11.09 -0.87 0.72 0.00 0.00 -1.89 -1.98 103.07 110.14 2j23 h GLY 31 Ca -0.24 0.41 0.14 0.00 0.00 0.00 0.00 47.33 47.64 2j23 h GLY 31 CO 1.10 -0.31 0.50 -2.55 0.00 0.00 0.00 176.54 175.27 2j23 h PRO 32 N -0.78 0.43 -0.45 4.80 0.11 -1.91 -0.85 132.00 133.34 2j23 h PRO 32 Ca -0.04 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 2j23 h PRO 32 Cb 0.68 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2j23 h PRO 32 CO -0.02 0.28 -0.12 0.00 -0.21 0.00 0.00 178.00 177.93 2j23 h LYS 34 N 0.70 0.90 -0.34 0.00 3.64 -0.45 0.66 116.57 121.68 2j23 h LYS 34 Ca 0.11 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 2j23 h LYS 34 Cb 0.67 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2j23 h LYS 34 CO 0.05 0.59 -0.38 0.52 -2.27 0.00 0.00 179.45 177.96 2j23 h MET 35 N 0.92 0.86 0.00 1.90 2.86 -0.81 -3.33 114.93 117.33 2j23 h MET 35 Ca 0.28 -0.47 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 2j23 h MET 35 Cb -0.02 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2j23 h MET 35 CO -0.07 1.11 -1.30 1.51 1.06 0.00 0.00 176.91 179.22 2j23 n ILE 36 N -4.11 0.86 -0.24 -1.22 0.13 -0.86 -4.36 119.36 109.55 2j23 n ILE 36 Ca -0.03 -0.62 -0.03 0.00 -1.10 0.00 0.00 62.75 60.97 2j23 n ILE 36 Cb 0.54 -0.50 0.03 0.00 -0.84 0.00 0.00 39.64 38.86 2j23 n ILE 36 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 2j23 h GLY 37 N 3.87 0.06 1.07 4.50 0.00 -0.98 -0.35 103.07 111.23 2j23 h GLY 37 Ca -0.09 0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.70 2j23 h GLY 37 CO 0.02 -0.22 0.48 -2.55 0.00 0.00 0.00 176.54 174.27 2j23 h PRO 38 N -0.10 0.79 -0.20 4.80 0.11 -1.78 -1.57 132.00 134.04 2j23 h PRO 38 Ca 0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2j23 h PRO 38 Cb 0.56 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2j23 h PRO 38 CO -0.75 0.52 0.13 0.28 -0.21 0.00 0.00 178.00 177.97 2j23 h VAL 39 N 0.81 1.05 -0.53 3.15 2.07 -1.33 -0.70 116.25 120.77 2j23 h VAL 39 Ca 0.31 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.78 2j23 h VAL 39 Cb 0.19 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 2j23 h VAL 39 CO -0.10 0.05 0.27 0.15 0.02 0.00 0.00 177.57 177.96 2j23 h PHE 40 N 0.27 0.50 -0.55 1.57 3.57 -0.88 -0.19 116.94 121.24 2j23 h PHE 40 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2j23 h PHE 40 Cb -0.03 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2j23 h PHE 40 CO -0.07 0.25 0.36 0.93 -2.23 0.00 0.00 178.31 177.55 2j23 h GLU 41 N 0.53 0.71 -0.45 1.11 5.08 -1.05 -1.45 114.58 119.06 2j23 h GLU 41 Ca 0.23 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2j23 h GLU 41 Cb 0.14 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2j23 h GLU 41 CO -0.16 0.47 -0.11 0.87 -1.00 0.00 0.00 179.01 179.07 2j23 h LYS 42 N 0.73 0.82 -0.25 2.33 1.79 -0.39 -2.45 116.57 119.14 2j23 h LYS 42 Ca 0.20 -0.28 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 2j23 h LYS 42 Cb -0.07 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 2j23 h LYS 42 CO -0.05 0.89 -0.12 0.82 -1.08 0.00 0.00 179.45 179.91 2j23 h ILE 43 N 0.74 1.21 0.00 1.86 2.04 -0.73 -2.19 117.51 120.44 2j23 h ILE 43 Ca 0.12 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2j23 h ILE 43 Cb 0.61 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2j23 h ILE 43 CO 0.04 0.30 -0.03 0.77 0.00 0.00 0.00 178.15 179.23 2j23 h SER 44 N 0.38 0.00 1.02 1.72 4.64 -0.77 -1.45 113.55 119.09 2j23 h SER 44 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2j23 h SER 44 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2j23 h SER 44 CO 0.03 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.48 2j23 n ASP 45 N -3.56 0.04 -4.93 4.97 8.00 -0.82 -3.99 116.55 116.26 2j23 n ASP 45 Ca -0.03 0.50 -0.26 0.00 0.71 0.00 0.00 54.79 55.72 2j23 n ASP 45 Cb 0.13 -0.51 0.06 0.00 -0.02 0.00 0.00 41.12 40.78 2j23 n ASP 45 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2j23 s THR 46 N -3.01 2.47 0.62 -3.53 -4.23 -0.54 -4.92 115.64 102.51 2j23 s THR 46 Ca 0.14 -0.22 0.31 0.00 -1.18 0.00 0.00 61.69 60.74 2j23 s THR 46 Cb 0.19 -3.07 0.36 0.00 1.34 0.00 0.00 72.50 71.31 2j23 s THR 46 CO 0.53 -0.07 2.04 -0.65 -0.54 0.00 0.00 174.62 175.93 2j23 h PRO 47 N -0.55 0.00 -0.37 3.99 0.11 -1.89 0.13 132.00 133.42 2j23 h PRO 47 Ca -0.45 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.73 2j23 h PRO 47 Cb 1.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 2j23 h PRO 47 CO 0.60 0.00 0.25 0.00 -0.21 0.00 0.00 178.00 178.65 2j23 h ALA 48 N 1.60 2.07 0.00 -0.75 0.00 -1.91 -1.69 119.26 118.58 2j23 h ALA 48 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2j23 h ALA 48 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2j23 h ALA 48 CO -0.00 -0.14 0.00 0.78 0.00 0.00 0.00 179.25 179.89 2j23 h GLY 49 N 0.22 0.00 1.08 0.00 0.00 -0.86 0.12 103.07 103.63 2j23 h GLY 49 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.19 2j23 h GLY 49 CO -0.03 0.00 -1.64 -0.55 0.00 0.00 0.00 176.54 174.32 2j23 h ASP 50 N 0.00 0.20 0.24 0.19 3.32 -1.43 -3.40 116.42 115.55 2j23 h ASP 50 Ca 0.00 -0.36 -0.34 0.00 0.02 0.00 0.00 57.03 56.35 2j23 h ASP 50 Cb 0.39 -0.07 0.03 0.00 0.22 0.00 0.00 39.33 39.90 2j23 h ASP 50 CO 0.00 1.31 -1.61 0.11 -1.72 0.00 0.00 179.24 177.33 2j23 h LYS 51 N 0.04 0.47 -6.04 3.56 1.57 -1.29 -3.45 116.57 111.42 2j23 h LYS 51 Ca -0.27 -0.81 -0.68 0.00 -1.87 0.00 0.00 60.65 57.02 2j23 h LYS 51 Cb 2.00 0.30 -0.23 0.00 0.08 0.00 0.00 32.23 34.37 2j23 h LYS 51 CO 0.11 1.39 -0.75 0.08 -0.57 0.00 0.00 179.45 179.70 2j23 s VAL 52 N -2.59 3.18 -0.03 0.50 1.01 0.36 -4.52 120.40 118.31 2j23 s VAL 52 Ca -0.12 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 2j23 s VAL 52 Cb 0.05 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2j23 s VAL 52 CO 0.90 0.57 0.78 -0.83 0.00 0.00 0.00 175.10 176.52 2j23 s GLY 53 N -0.46 2.72 -0.20 4.51 0.00 -0.44 -4.40 107.32 109.05 2j23 s GLY 53 Ca 0.06 0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.96 2j23 s GLY 53 CO 0.02 1.28 0.06 -1.36 0.00 0.00 0.00 173.10 173.10 2j23 s PHE 54 N 0.68 3.20 0.12 1.90 0.40 -1.26 -0.49 117.98 122.53 2j23 s PHE 54 Ca 0.41 -0.04 -0.00 0.00 -0.60 0.00 0.00 56.93 56.70 2j23 s PHE 54 Cb -0.19 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 2j23 s PHE 54 CO 0.21 0.04 0.01 0.71 0.70 0.00 0.00 175.22 176.90 2j23 s TYR 55 N 0.64 0.86 0.01 0.36 1.51 -0.18 -1.70 117.35 118.85 2j23 s TYR 55 Ca 0.03 -1.12 0.04 0.00 -1.01 0.00 0.00 57.07 55.01 2j23 s TYR 55 Cb -0.13 -0.51 -0.01 0.00 -0.11 0.00 0.00 41.96 41.20 2j23 s TYR 55 CO 0.02 -0.39 -0.12 0.15 -1.11 0.00 0.00 175.55 174.10 2j23 s LYS 56 N -3.97 0.86 -0.11 -0.62 1.02 -0.32 -0.89 119.74 115.70 2j23 s LYS 56 Ca 0.19 -0.56 -0.00 0.00 0.02 0.00 0.00 55.97 55.62 2j23 s LYS 56 Cb 0.07 -0.83 0.02 0.00 -0.52 0.00 0.00 37.83 36.58 2j23 s LYS 56 CO -0.01 0.21 -0.09 0.08 -0.92 0.00 0.00 175.35 174.62 2j23 s VAL 57 N -0.58 1.11 -0.45 3.17 1.01 -0.28 -1.39 120.40 123.00 2j23 s VAL 57 Ca 0.02 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 2j23 s VAL 57 Cb -0.06 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.24 2j23 s VAL 57 CO 0.00 0.38 0.96 -0.62 0.00 0.00 0.00 175.10 175.82 2j23 s ASP 58 N 1.57 6.55 0.48 3.32 -1.08 -1.26 -1.64 116.67 124.60 2j23 s ASP 58 Ca 0.03 0.25 0.17 0.00 -0.52 0.00 0.00 52.55 52.47 2j23 s ASP 58 Cb -0.13 -2.47 1.15 0.00 -1.46 0.00 0.00 42.92 40.01 2j23 s ASP 58 CO -0.07 -1.05 2.05 -0.37 0.52 0.00 0.00 175.17 176.25 2j23 h VAL 59 N 6.06 1.02 -0.20 1.11 -1.51 -1.57 -1.04 116.25 120.11 2j23 h VAL 59 Ca -0.24 -0.42 -0.12 0.00 -1.23 0.00 0.00 66.70 64.69 2j23 h VAL 59 Cb 1.07 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 2j23 h VAL 59 CO 1.04 0.12 -0.38 0.44 -1.23 0.00 0.00 177.57 177.55 2j23 h ASP 60 N 0.00 0.48 1.30 4.19 3.32 -1.92 -3.22 116.42 120.57 2j23 h ASP 60 Ca -0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2j23 h ASP 60 Cb 0.22 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2j23 h ASP 60 CO 0.02 0.82 -0.70 -0.33 -1.72 0.00 0.00 179.24 177.32 2j23 h GLU 61 N 0.38 0.00 -2.18 3.56 5.08 -1.74 -3.40 114.58 116.29 2j23 h GLU 61 Ca 0.04 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.81 2j23 h GLU 61 Cb 0.84 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.68 2j23 h GLU 61 CO 0.07 0.01 -0.70 1.04 -1.00 0.00 0.00 179.01 178.43 2j23 n GLN 62 N -2.81 2.36 -0.22 2.33 1.13 -0.48 -4.92 117.38 114.77 2j23 n GLN 62 Ca 0.01 -4.46 -0.08 0.00 -1.94 0.00 0.00 57.00 50.53 2j23 n GLN 62 Cb 0.55 -2.09 0.06 0.00 0.11 0.00 0.00 30.24 28.87 2j23 n GLN 62 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2j23 h SER 63 N 3.87 1.03 -0.32 1.08 0.02 -1.79 -2.23 113.55 115.22 2j23 h SER 63 Ca 0.16 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2j23 h SER 63 Cb 0.67 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2j23 h SER 63 CO 0.77 1.03 0.19 -0.61 -1.14 0.00 0.00 176.83 177.07 2j23 h GLN 64 N 1.00 0.43 0.07 3.45 4.15 -1.92 -1.51 115.11 120.77 2j23 h GLN 64 Ca 0.19 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2j23 h GLN 64 Cb 0.46 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2j23 h GLN 64 CO 0.02 0.34 -0.03 0.82 -1.93 0.00 0.00 178.83 178.04 2j23 h ILE 65 N 0.40 0.96 -0.74 2.39 2.04 -1.94 -1.98 117.51 118.64 2j23 h ILE 65 Ca 0.11 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2j23 h ILE 65 Cb 0.02 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2j23 h ILE 65 CO -0.02 0.02 0.49 0.00 0.00 0.00 0.00 178.15 178.64 2j23 h ALA 66 N 0.80 1.49 -0.18 1.87 0.00 -1.20 -0.86 119.26 121.18 2j23 h ALA 66 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2j23 h ALA 66 Cb 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2j23 h ALA 66 CO 0.02 0.46 -0.31 0.37 0.00 0.00 0.00 179.25 179.79 2j23 h GLN 67 N 0.98 0.52 -0.59 0.00 5.75 -1.23 -0.66 115.11 119.88 2j23 h GLN 67 Ca 0.28 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2j23 h GLN 67 Cb -0.08 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 2j23 h GLN 67 CO -0.06 0.93 0.32 1.49 -2.65 0.00 0.00 178.83 178.85 2j23 h GLU 68 N 0.17 0.82 0.00 1.69 4.81 -0.89 -2.82 114.58 118.36 2j23 h GLU 68 Ca 0.01 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2j23 h GLU 68 Cb 0.90 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2j23 h GLU 68 CO 0.07 0.63 -0.57 0.28 -0.73 0.00 0.00 179.01 178.69 2j23 h VAL 69 N 0.79 1.21 -1.31 0.32 2.07 -1.20 -3.48 116.25 114.65 2j23 h VAL 69 Ca 0.21 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.61 2j23 h VAL 69 Cb 0.06 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2j23 h VAL 69 CO -0.03 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.73 2j23 n GLY 70 N 0.53 0.74 3.68 2.17 0.00 -0.30 -4.99 105.19 107.02 2j23 n GLY 70 Ca -0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2j23 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j23 s ILE 71 N -2.87 2.79 -0.69 -0.61 -1.09 -0.91 -4.87 121.20 112.95 2j23 s ILE 71 Ca 0.00 0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.66 2j23 s ILE 71 Cb 0.00 -3.12 0.05 0.00 -1.58 0.00 0.00 42.46 37.81 2j23 s ILE 71 CO 0.00 -0.00 0.70 0.54 -1.23 0.00 0.00 174.94 174.94 2j23 n ARG 72 N 6.02 -0.09 -3.52 2.79 1.74 -1.26 -5.01 116.66 117.33 2j23 n ARG 72 Ca 0.18 -0.87 -0.08 0.00 -0.77 0.00 0.00 57.85 56.31 2j23 n ARG 72 Cb 0.39 -1.11 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 2j23 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2j23 s ALA 73 N -0.49 -1.87 0.01 7.54 0.00 -1.26 -5.16 121.76 120.54 2j23 s ALA 73 Ca 0.07 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2j23 s ALA 73 Cb 0.05 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 2j23 s ALA 73 CO 0.07 -0.67 -0.02 -1.64 0.00 0.00 0.00 175.76 173.51 2j23 s MET 74 N -2.98 0.17 0.45 0.00 -1.94 -1.26 -3.48 119.30 110.25 2j23 s MET 74 Ca 0.06 -0.31 -0.22 0.00 -1.71 0.00 0.00 55.69 53.51 2j23 s MET 74 Cb -0.01 0.03 -0.08 0.00 2.01 0.00 0.00 34.83 36.78 2j23 s MET 74 CO -0.08 -0.02 1.06 -1.25 -0.01 0.00 0.00 175.02 174.72 2j23 s PRO 75 N -0.72 3.94 -0.04 2.03 0.04 -1.26 -4.66 135.00 134.32 2j23 s PRO 75 Ca -0.08 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.50 2j23 s PRO 75 Cb -0.05 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2j23 s PRO 75 CO -0.00 -0.33 -0.21 0.99 0.04 0.00 0.00 177.00 177.48 2j23 s THR 76 N -1.79 1.72 -0.22 1.26 2.01 -1.05 0.75 115.64 118.33 2j23 s THR 76 Ca 0.63 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 2j23 s THR 76 Cb -0.20 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2j23 s THR 76 CO 0.25 0.49 0.01 -0.36 -0.69 0.00 0.00 174.62 174.31 2j23 s PHE 77 N -0.16 3.03 -0.06 4.92 0.40 0.16 -0.83 117.98 125.45 2j23 s PHE 77 Ca -0.01 -0.55 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 2j23 s PHE 77 Cb -0.12 -2.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 2j23 s PHE 77 CO 0.02 -0.33 -0.23 0.08 0.70 0.00 0.00 175.22 175.46 2j23 s VAL 78 N 1.25 1.88 -0.11 -0.44 1.01 -0.44 -0.50 120.40 123.05 2j23 s VAL 78 Ca 0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2j23 s VAL 78 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2j23 s VAL 78 CO 0.01 0.53 0.06 -0.36 0.00 0.00 0.00 175.10 175.34 2j23 s PHE 79 N -0.05 3.34 0.07 5.22 0.40 -0.03 -0.83 117.98 126.11 2j23 s PHE 79 Ca -0.05 0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.62 2j23 s PHE 79 Cb -0.14 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 2j23 s PHE 79 CO 0.04 0.53 -0.10 -0.06 0.70 0.00 0.00 175.22 176.33 2j23 s PHE 80 N -0.77 0.96 -0.23 0.36 0.40 -0.08 -0.52 117.98 118.08 2j23 s PHE 80 Ca 0.13 -0.57 -0.17 0.00 -0.60 0.00 0.00 56.93 55.72 2j23 s PHE 80 Cb -0.12 -0.54 0.07 0.00 0.51 0.00 0.00 43.02 42.94 2j23 s PHE 80 CO 0.03 -0.02 0.59 0.21 0.70 0.00 0.00 175.22 176.73 2j23 s LYS 81 N -2.18 0.64 -1.52 0.44 2.20 -0.36 -1.64 119.74 117.32 2j23 s LYS 81 Ca -0.01 0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 56.44 2j23 s LYS 81 Cb -0.07 0.20 0.08 0.00 -1.51 0.00 0.00 37.83 36.53 2j23 s LYS 81 CO 0.00 -0.12 0.94 0.09 -0.36 0.00 0.00 175.35 175.90 2j23 n ASN 82 N 3.60 -4.30 -0.07 1.43 3.02 0.15 -1.59 115.26 117.49 2j23 n ASN 82 Ca -0.18 -0.80 -0.01 0.00 -0.03 0.00 0.00 54.58 53.56 2j23 n ASN 82 Cb 0.57 -3.81 -0.00 0.00 -0.61 0.00 0.00 39.78 35.92 2j23 n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j23 n GLY 83 N -1.67 0.46 3.17 7.41 0.00 0.11 -4.88 105.19 109.80 2j23 n GLY 83 Ca 0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 2j23 n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j23 s GLN 84 N -0.85 0.90 -0.04 1.61 -1.52 -0.62 -4.97 119.66 114.16 2j23 s GLN 84 Ca 0.00 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.22 2j23 s GLN 84 Cb 0.00 -0.93 -0.04 0.00 -0.22 0.00 0.00 33.01 31.82 2j23 s GLN 84 CO 0.00 0.22 1.27 0.21 -0.25 0.00 0.00 175.29 176.74 2j23 s LYS 85 N -1.49 4.32 -0.01 2.91 2.20 -1.26 -1.22 119.74 125.19 2j23 s LYS 85 Ca 0.00 1.77 0.08 0.00 -0.36 0.00 0.00 55.97 57.46 2j23 s LYS 85 Cb -0.09 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.55 2j23 s LYS 85 CO 0.02 -0.51 0.23 0.44 -0.36 0.00 0.00 175.35 175.17 2j23 n ILE 86 N 4.68 0.00 -3.52 5.43 -5.35 0.32 -4.96 119.36 115.96 2j23 n ILE 86 Ca 0.12 -0.24 -0.08 0.00 -0.27 0.00 0.00 62.75 62.27 2j23 n ILE 86 Cb 0.45 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 38.95 2j23 n ILE 86 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2j23 s ASP 87 N -2.36 -0.35 -0.06 7.28 -1.08 -1.19 -4.99 116.67 113.92 2j23 s ASP 87 Ca -0.00 0.05 -0.05 0.00 -0.52 0.00 0.00 52.55 52.03 2j23 s ASP 87 Cb 0.05 0.36 0.02 0.00 -1.46 0.00 0.00 42.92 41.89 2j23 s ASP 87 CO 0.31 -0.56 0.15 -0.89 0.52 0.00 0.00 175.17 174.71 2j23 s THR 88 N -2.82 -0.01 -0.14 1.71 2.01 -1.26 -0.85 115.64 114.29 2j23 s THR 88 Ca 0.04 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 2j23 s THR 88 Cb -0.01 -0.22 0.03 0.00 0.01 0.00 0.00 72.50 72.31 2j23 s THR 88 CO -0.07 0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.10 2j23 s VAL 89 N 0.29 1.13 -0.10 3.82 1.01 0.34 -5.00 120.40 121.90 2j23 s VAL 89 Ca -0.02 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 2j23 s VAL 89 Cb -0.03 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 2j23 s VAL 89 CO -0.01 0.29 0.37 -0.69 0.00 0.00 0.00 175.10 175.06 2j23 s VAL 90 N 1.65 5.20 0.00 2.92 1.01 -1.26 -0.66 120.40 129.25 2j23 s VAL 90 Ca 0.03 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2j23 s VAL 90 Cb -0.14 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2j23 s VAL 90 CO -0.08 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2j23 n GLY 91 N 2.80 -2.54 3.09 4.51 0.00 0.23 -4.56 105.19 108.72 2j23 n GLY 91 Ca -0.12 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 2j23 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j23 n ALA 92 N -0.56 4.75 -3.84 4.61 0.00 -1.26 -4.79 120.51 119.42 2j23 n ALA 92 Ca 0.00 -4.08 -0.29 0.00 0.00 0.00 0.00 53.44 49.06 2j23 n ALA 92 Cb 0.00 -3.28 -0.13 0.00 0.00 0.00 0.00 19.45 16.03 2j23 n ALA 92 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2j23 s ASP 93 N 2.61 4.06 0.28 0.00 -1.08 -1.26 -5.00 116.67 116.29 2j23 s ASP 93 Ca 0.45 -3.02 -0.03 0.00 -0.52 0.00 0.00 52.55 49.44 2j23 s ASP 93 Cb 0.07 -1.39 0.40 0.00 -1.46 0.00 0.00 42.92 40.54 2j23 s ASP 93 CO -0.01 -0.22 1.92 1.55 0.52 0.00 0.00 175.17 178.94 2j23 h PRO 94 N 6.37 1.06 -0.33 4.34 0.13 -1.98 -0.54 132.00 141.05 2j23 h PRO 94 Ca -0.01 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2j23 h PRO 94 Cb 0.88 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2j23 h PRO 94 CO 0.61 0.76 0.05 0.66 -0.23 0.00 0.00 178.00 179.85 2j23 h SER 95 N 1.08 0.53 -0.25 1.44 4.64 -1.99 -0.80 113.55 118.19 2j23 h SER 95 Ca 0.28 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 2j23 h SER 95 Cb -0.02 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2j23 h SER 95 CO -0.05 0.66 -0.29 0.11 -0.87 0.00 0.00 176.83 176.38 2j23 h LYS 96 N 0.38 0.76 -0.28 4.77 1.57 -1.94 -0.94 116.57 120.88 2j23 h LYS 96 Ca 0.10 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2j23 h LYS 96 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2j23 h LYS 96 CO 0.01 0.95 0.16 1.25 -0.57 0.00 0.00 179.45 181.25 2j23 h LEU 97 N 0.64 0.34 -0.48 2.94 5.85 -1.01 -1.54 115.31 122.06 2j23 h LEU 97 Ca 0.08 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2j23 h LEU 97 Cb 0.82 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2j23 h LEU 97 CO 0.07 0.31 0.16 -0.61 -0.34 0.00 0.00 178.44 178.04 2j23 h GLN 98 N 0.34 0.73 -0.71 1.25 5.75 -1.01 -1.30 115.11 120.16 2j23 h GLN 98 Ca 0.10 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2j23 h GLN 98 Cb 0.04 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 2j23 h GLN 98 CO -0.02 0.68 0.45 0.00 -2.65 0.00 0.00 178.83 177.30 2j23 h ALA 99 N 1.02 0.93 -0.50 3.38 0.00 -1.03 -0.33 119.26 122.73 2j23 h ALA 99 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2j23 h ALA 99 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2j23 h ALA 99 CO -0.01 0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.54 2j23 h ALA 100 N 1.30 0.67 -0.70 0.00 0.00 -0.98 -1.48 119.26 118.08 2j23 h ALA 100 Ca 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2j23 h ALA 100 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2j23 h ALA 100 CO -0.10 0.43 0.34 0.82 0.00 0.00 0.00 179.25 180.74 2j23 h ILE 101 N 0.72 1.23 -0.60 0.00 2.04 -0.81 -1.19 117.51 118.90 2j23 h ILE 101 Ca 0.15 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2j23 h ILE 101 Cb 0.44 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2j23 h ILE 101 CO 0.02 0.26 0.32 0.74 0.00 0.00 0.00 178.15 179.49 2j23 h THR 102 N 0.97 1.20 -0.01 -0.27 2.02 -0.92 -1.52 112.91 114.38 2j23 h THR 102 Ca 0.24 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.92 2j23 h THR 102 Cb 0.10 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2j23 h THR 102 CO -0.03 0.22 -0.17 -0.61 0.37 0.00 0.00 175.52 175.30 2j23 h GLN 103 N 0.82 -0.26 -0.00 6.66 5.75 -0.91 -3.06 115.11 124.10 2j23 h GLN 103 Ca 0.21 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 2j23 h GLN 103 Cb 0.07 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2j23 h GLN 103 CO -0.03 -0.17 -0.07 0.72 -2.65 0.00 0.00 178.83 176.62 2j23 n HIS 104 N -5.30 0.00 -0.13 3.99 8.25 -0.48 -3.28 115.22 118.27 2j23 n HIS 104 Ca -0.05 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.47 2j23 n HIS 104 Cb 0.22 -0.14 0.15 0.00 1.12 0.00 0.00 29.99 31.33 2j23 n HIS 104 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2j23 n SER 105 N -0.87 2.86 0.00 0.41 3.41 -0.59 -4.90 113.62 113.93 2j23 n SER 105 Ca 0.16 -1.96 0.06 0.00 -0.26 0.00 0.00 58.87 56.87 2j23 n SER 105 Cb 0.25 -0.22 0.35 0.00 -0.26 0.00 0.00 64.21 64.34 2j23 n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88