#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 0.00 -3.45 4.41 -0.00 -1.26 -5.09 115.22 109.82 2j23 n HIS -7 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 2j23 n HIS -7 Cb 0.00 -0.57 -0.02 0.00 -0.00 0.00 0.00 29.99 29.40 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 -2.49 -0.48 0.01 1.57 0.00 -1.26 -5.16 115.29 107.49 2j23 s HIS -6 Ca -0.25 0.28 -0.01 0.00 -3.00 0.00 0.00 55.06 52.08 2j23 s HIS -6 Cb 0.08 0.56 -0.04 0.00 -4.00 0.00 0.00 32.58 29.17 2j23 s HIS -6 CO 0.34 -0.78 0.15 -1.01 -1.00 0.00 0.00 174.74 172.44 2j23 s HIS -5 N -3.59 3.45 0.36 0.38 0.09 -1.26 -5.09 115.29 109.63 2j23 s HIS -5 Ca 0.02 0.29 -0.25 0.00 -0.00 0.00 0.00 55.06 55.12 2j23 s HIS -5 Cb -0.01 -1.78 -0.09 0.00 -0.00 0.00 0.00 32.58 30.69 2j23 s HIS -5 CO -0.11 0.61 1.02 -1.17 -0.00 0.00 0.00 174.74 175.08 2j23 s LEU -4 N -2.00 4.26 -0.47 0.89 2.96 -1.26 -5.01 118.68 118.05 2j23 s LEU -4 Ca 0.27 1.99 0.01 0.00 -0.22 0.00 0.00 54.13 56.18 2j23 s LEU -4 Cb -0.12 -4.06 0.13 0.00 0.50 0.00 0.00 46.19 42.63 2j23 s LEU -4 CO 0.19 -0.30 0.24 -0.69 -1.32 0.00 0.00 176.35 174.47 2j23 s VAL -3 N -1.59 2.91 0.26 1.68 1.01 -1.26 -5.09 120.40 118.31 2j23 s VAL -3 Ca 0.54 -2.73 -0.31 0.00 0.00 0.00 0.00 61.98 59.48 2j23 s VAL -3 Cb -0.22 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.03 2j23 s VAL -3 CO 0.28 -0.74 1.57 -2.65 0.00 0.00 0.00 175.10 173.55 2j23 n PRO -2 N 3.80 2.50 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.84 2j23 n PRO -2 Ca 0.04 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2j23 n PRO -2 Cb 0.38 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2j23 n PRO -2 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2j23 n ARG -1 N 2.49 0.08 -1.45 -0.52 5.12 -1.26 -5.08 116.66 116.04 2j23 n ARG -1 Ca 0.11 -0.45 -0.33 0.00 -1.93 0.00 0.00 57.85 55.25 2j23 n ARG -1 Cb 0.34 -0.94 0.08 0.00 -1.16 0.00 0.00 32.46 30.79 2j23 n ARG -1 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2j23 s GLY 0 N -0.15 2.14 -0.23 -0.13 0.00 -1.26 -4.97 107.32 102.72 2j23 s GLY 0 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 44.72 45.35 2j23 s GLY 0 CO 0.00 1.05 0.12 -0.45 0.00 0.00 0.00 173.10 173.82 2j23 s SER 1 N -2.44 2.79 -0.30 1.64 0.15 -1.26 -4.93 113.70 109.35 2j23 s SER 1 Ca 0.69 -0.89 -0.09 0.00 0.70 0.00 0.00 55.95 56.36 2j23 s SER 1 Cb -0.24 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 63.82 2j23 s SER 1 CO 0.46 -0.39 0.15 -0.69 1.20 0.00 0.00 173.24 173.97 2j23 s VAL 2 N 2.14 4.61 -0.06 4.45 1.01 -1.26 -4.15 120.40 127.13 2j23 s VAL 2 Ca 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2j23 s VAL 2 Cb -0.16 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2j23 s VAL 2 CO -0.22 0.10 -0.01 -1.10 0.00 0.00 0.00 175.10 173.87 2j23 s GLN 3 N 1.62 2.90 0.11 2.72 -0.21 -0.69 -4.95 119.66 121.17 2j23 s GLN 3 Ca 0.05 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 54.65 2j23 s GLN 3 Cb -0.17 -2.74 -0.06 0.00 1.00 0.00 0.00 33.01 31.04 2j23 s GLN 3 CO 0.06 0.68 1.08 0.08 -2.12 0.00 0.00 175.29 175.08 2j23 s VAL 4 N -0.92 4.15 -0.33 1.09 1.01 -1.26 -1.07 120.40 123.07 2j23 s VAL 4 Ca 0.15 1.72 -0.14 0.00 0.00 0.00 0.00 61.98 63.70 2j23 s VAL 4 Cb -0.11 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2j23 s VAL 4 CO 0.04 0.23 0.33 -0.63 0.00 0.00 0.00 175.10 175.07 2j23 s ILE 5 N 0.28 5.20 -1.20 2.22 1.01 -0.46 -4.90 121.20 123.36 2j23 s ILE 5 Ca 0.52 0.07 0.11 0.00 0.00 0.00 0.00 60.65 61.34 2j23 s ILE 5 Cb -0.27 -3.77 0.17 0.00 0.01 0.00 0.00 42.46 38.60 2j23 s ILE 5 CO 0.32 -0.02 1.00 -1.54 0.00 0.00 0.00 174.94 174.69 2j23 n SER 6 N 5.31 2.29 -3.60 3.58 3.41 -1.26 -4.69 113.62 118.65 2j23 n SER 6 Ca -0.10 -1.66 -0.11 0.00 -0.26 0.00 0.00 58.87 56.74 2j23 n SER 6 Cb 0.50 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.95 -0.30 0.20 4.04 1.04 -1.26 -5.04 113.70 111.42 2j23 s SER 7 Ca 0.17 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 2j23 s SER 7 Cb 0.10 0.49 0.13 0.00 0.10 0.00 0.00 66.02 66.83 2j23 s SER 7 CO 0.14 -0.83 1.81 0.22 0.98 0.00 0.00 173.24 175.56 2j23 h TYR 8 N 2.43 0.96 -0.72 5.02 3.20 -1.99 -1.69 116.97 124.18 2j23 h TYR 8 Ca -0.33 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.56 2j23 h TYR 8 Cb 1.25 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 2j23 h TYR 8 CO 0.33 0.68 0.43 -0.44 -1.64 0.00 0.00 178.16 177.51 2j23 h ASP 9 N 0.96 0.68 -0.57 -2.11 3.32 -1.99 -0.82 116.42 115.89 2j23 h ASP 9 Ca 0.25 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2j23 h ASP 9 Cb 0.03 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2j23 h ASP 9 CO -0.04 0.45 0.24 -0.61 -1.72 0.00 0.00 179.24 177.56 2j23 h GLN 10 N 0.82 0.85 -0.40 3.56 4.15 -1.90 -1.22 115.11 120.97 2j23 h GLN 10 Ca 0.31 -0.15 0.06 0.00 0.77 0.00 0.00 58.65 59.64 2j23 h GLN 10 Cb 0.12 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 2j23 h GLN 10 CO -0.15 0.73 0.08 0.35 -1.93 0.00 0.00 178.83 177.90 2j23 h PHE 11 N 0.79 0.13 -0.71 3.99 3.57 -0.61 -0.13 116.94 123.97 2j23 h PHE 11 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2j23 h PHE 11 Cb 0.19 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2j23 h PHE 11 CO 0.01 0.01 0.23 0.87 -2.23 0.00 0.00 178.31 177.19 2j23 h LYS 12 N 0.21 1.08 0.04 1.11 1.79 -0.85 -1.69 116.57 118.26 2j23 h LYS 12 Ca 0.19 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2j23 h LYS 12 Cb 0.23 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2j23 h LYS 12 CO -0.25 0.92 -0.02 0.37 -1.08 0.00 0.00 179.45 179.38 2j23 h GLN 13 N 1.05 -0.06 0.00 3.15 -0.00 -0.71 -2.41 115.11 116.13 2j23 h GLN 13 Ca 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.76 2j23 h GLN 13 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 2j23 h GLN 13 CO -0.01 0.23 -0.58 -0.39 0.00 0.00 0.00 178.83 178.09 2j23 h VAL 14 N -0.34 1.40 -0.02 2.39 -1.51 -0.94 -2.97 116.25 114.26 2j23 h VAL 14 Ca -0.01 -1.98 0.00 0.00 -1.23 0.00 0.00 66.70 63.48 2j23 h VAL 14 Cb 0.31 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2j23 h VAL 14 CO 0.01 0.56 0.00 0.35 -1.23 0.00 0.00 177.57 177.26 2j23 n THR 15 N -3.83 0.00 0.61 7.19 -2.24 -0.65 -4.44 114.28 110.93 2j23 n THR 15 Ca -0.01 -0.22 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2j23 n THR 15 Cb 0.58 0.35 0.20 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.15 -1.42 2.12 3.38 0.00 -0.91 -0.20 105.19 109.31 2j23 n GLY 16 Ca 0.20 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 1.35 2.30 0.21 -0.02 0.00 -1.26 -3.70 105.19 104.06 2j23 n GLY 17 Ca 0.04 -2.20 0.06 0.00 0.00 0.00 0.00 46.02 43.91 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 0.17 0.00 -2.86 1.61 3.58 -1.95 0.14 116.42 117.10 2j23 h ASP 18 Ca -0.16 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.74 2j23 h ASP 18 Cb 0.69 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2j23 h ASP 18 CO 0.24 0.27 0.87 -0.75 -2.88 0.00 0.00 179.24 176.99 2j23 s LYS 19 N -4.24 4.27 0.27 0.28 2.20 -1.26 -4.78 119.74 116.47 2j23 s LYS 19 Ca -0.03 2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 57.32 2j23 s LYS 19 Cb 0.14 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.79 2j23 s LYS 19 CO 0.68 -0.61 1.26 0.08 -0.36 0.00 0.00 175.35 176.41 2j23 s VAL 20 N 2.45 3.07 0.11 4.02 1.01 -1.26 -4.74 120.40 125.06 2j23 s VAL 20 Ca 0.66 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.71 2j23 s VAL 20 Cb -0.33 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2j23 s VAL 20 CO 0.28 0.21 -0.18 0.68 0.00 0.00 0.00 175.10 176.09 2j23 s VAL 21 N -0.72 1.56 -0.07 2.92 -7.23 -0.69 -1.61 120.40 114.56 2j23 s VAL 21 Ca 0.50 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.10 2j23 s VAL 21 Cb -0.37 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.05 2j23 s VAL 21 CO 0.45 -0.21 -0.18 0.54 -0.31 0.00 0.00 175.10 175.39 2j23 s VAL 22 N -1.55 1.60 -0.13 1.32 0.11 0.21 -0.95 120.40 121.00 2j23 s VAL 22 Ca 0.07 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2j23 s VAL 22 Cb -0.08 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.38 2j23 s VAL 22 CO 0.04 0.46 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.43 2j23 s ILE 23 N 0.37 2.22 -0.47 7.04 1.01 -0.01 -1.20 121.20 130.15 2j23 s ILE 23 Ca -0.13 -0.93 -0.24 0.00 0.00 0.00 0.00 60.65 59.34 2j23 s ILE 23 Cb -0.16 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.45 2j23 s ILE 23 CO 0.05 0.54 0.85 -0.62 0.00 0.00 0.00 174.94 175.77 2j23 s ASP 24 N 0.69 6.42 -0.31 3.58 -1.08 -0.22 -1.35 116.67 124.42 2j23 s ASP 24 Ca -0.09 -0.09 -0.20 0.00 -0.52 0.00 0.00 52.55 51.64 2j23 s ASP 24 Cb -0.16 -2.41 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 2j23 s ASP 24 CO 0.01 -1.00 0.64 -0.36 0.52 0.00 0.00 175.17 174.98 2j23 s PHE 25 N 3.52 3.21 0.25 -5.34 0.40 -0.05 -1.14 117.98 118.82 2j23 s PHE 25 Ca 0.32 0.59 0.01 0.00 -0.60 0.00 0.00 56.93 57.25 2j23 s PHE 25 Cb -0.12 -3.00 -0.03 0.00 0.51 0.00 0.00 43.02 40.38 2j23 s PHE 25 CO 0.23 -0.48 0.20 1.67 0.70 0.00 0.00 175.22 177.54 2j23 s TRP 26 N 2.63 1.32 0.09 0.36 1.48 -0.69 -2.47 118.94 121.65 2j23 s TRP 26 Ca 0.26 -1.45 -0.18 0.00 -1.06 0.00 0.00 56.10 53.67 2j23 s TRP 26 Cb -0.15 -0.57 0.04 0.00 -1.16 0.00 0.00 33.47 31.63 2j23 s TRP 26 CO 0.12 -0.74 0.42 0.00 -4.06 0.00 0.00 176.95 172.69 2j23 s ALA 27 N -3.91 -1.01 0.39 2.67 0.00 -1.26 -0.78 121.76 117.86 2j23 s ALA 27 Ca 0.39 0.15 0.26 0.00 0.00 0.00 0.00 51.96 52.76 2j23 s ALA 27 Cb 0.05 0.55 1.37 0.00 0.00 0.00 0.00 23.12 25.09 2j23 s ALA 27 CO 0.17 -0.57 2.04 1.79 0.00 0.00 0.00 175.76 179.19 2j23 h THR 28 N 2.61 0.61 -0.16 0.00 1.35 -2.00 -2.31 112.91 113.01 2j23 h THR 28 Ca -0.33 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2j23 h THR 28 Cb 1.24 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2j23 h THR 28 CO 0.45 0.13 0.00 -2.67 -0.25 0.00 0.00 175.52 173.18 2j23 n TRP 29 N -3.66 0.20 -3.06 4.73 4.27 -1.26 -4.86 117.44 113.80 2j23 n TRP 29 Ca -0.02 -0.10 -0.41 0.00 -3.89 0.00 0.00 57.50 53.08 2j23 n TRP 29 Cb 0.26 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.15 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 9.22 -0.33 1.77 0.00 0.00 -1.89 -3.28 103.07 108.55 2j23 h GLY 31 Ca -0.26 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.22 2j23 h GLY 31 CO 0.82 -0.12 0.09 -2.55 0.00 0.00 0.00 176.54 174.78 2j23 h PRO 32 N -0.93 0.00 -0.76 4.80 0.11 -1.93 -0.82 132.00 132.47 2j23 h PRO 32 Ca -0.03 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.24 2j23 h PRO 32 Cb 0.49 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.55 2j23 h PRO 32 CO 0.05 0.00 0.51 0.00 -0.21 0.00 0.00 178.00 178.35 2j23 h LYS 34 N 0.37 0.00 0.10 0.00 1.57 -1.27 0.71 116.57 118.05 2j23 h LYS 34 Ca 0.37 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.96 2j23 h LYS 34 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2j23 h LYS 34 CO -0.11 0.20 -0.94 1.98 -0.57 0.00 0.00 179.45 180.01 2j23 h MET 35 N 0.00 0.21 0.00 3.15 4.05 -1.28 -3.40 114.93 117.66 2j23 h MET 35 Ca -0.00 -0.35 -0.10 0.00 -0.28 0.00 0.00 59.70 58.96 2j23 h MET 35 Cb 0.79 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.70 2j23 h MET 35 CO 0.03 1.17 -1.07 0.97 0.23 0.00 0.00 176.91 178.24 2j23 h ILE 36 N -0.50 0.40 -0.34 1.77 6.09 -1.35 -3.38 117.51 120.19 2j23 h ILE 36 Ca -0.20 -1.71 0.06 0.00 -1.37 0.00 0.00 64.86 61.64 2j23 h ILE 36 Cb 1.56 1.96 -0.05 0.00 0.47 0.00 0.00 36.82 40.75 2j23 h ILE 36 CO 0.06 0.23 0.02 1.23 -3.07 0.00 0.00 178.15 176.62 2j23 h GLY 37 N 3.77 0.35 1.62 8.18 0.00 -1.05 -1.29 103.07 114.65 2j23 h GLY 37 Ca -0.08 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2j23 h GLY 37 CO 0.03 -0.06 0.23 -2.55 0.00 0.00 0.00 176.54 174.19 2j23 h PRO 38 N 0.12 0.50 -0.15 4.80 0.11 -1.78 -1.11 132.00 134.49 2j23 h PRO 38 Ca 0.17 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2j23 h PRO 38 Cb 0.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2j23 h PRO 38 CO -0.26 0.35 0.06 0.28 -0.21 0.00 0.00 178.00 178.22 2j23 h VAL 39 N 0.51 1.16 -0.67 3.15 2.07 -1.49 -1.21 116.25 119.77 2j23 h VAL 39 Ca 0.14 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.26 2j23 h VAL 39 Cb -0.02 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2j23 h VAL 39 CO -0.03 0.14 0.36 0.15 0.02 0.00 0.00 177.57 178.22 2j23 h PHE 40 N 0.08 0.65 -0.65 1.57 3.57 -0.78 -0.24 116.94 121.15 2j23 h PHE 40 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2j23 h PHE 40 Cb 0.17 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2j23 h PHE 40 CO -0.01 0.29 0.42 0.93 -2.23 0.00 0.00 178.31 177.71 2j23 h GLU 41 N 0.65 0.86 -0.52 1.11 5.08 -1.02 -1.58 114.58 119.17 2j23 h GLU 41 Ca 0.31 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2j23 h GLU 41 Cb 0.24 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2j23 h GLU 41 CO -0.21 0.58 -0.07 0.87 -1.00 0.00 0.00 179.01 179.17 2j23 h LYS 42 N 0.88 0.93 -0.12 2.33 1.79 -0.30 -2.65 116.57 119.43 2j23 h LYS 42 Ca 0.24 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 2j23 h LYS 42 Cb -0.09 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2j23 h LYS 42 CO -0.05 0.97 -0.07 0.82 -1.08 0.00 0.00 179.45 180.04 2j23 h ILE 43 N 0.84 1.13 0.00 1.86 2.04 -0.72 -2.04 117.51 120.62 2j23 h ILE 43 Ca 0.14 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2j23 h ILE 43 Cb 0.60 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2j23 h ILE 43 CO 0.04 0.17 -0.03 0.77 0.00 0.00 0.00 178.15 179.10 2j23 h SER 44 N 0.18 0.00 0.58 1.72 4.64 -0.92 -1.52 113.55 118.23 2j23 h SER 44 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2j23 h SER 44 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2j23 h SER 44 CO 0.01 0.03 -0.08 0.47 -0.87 0.00 0.00 176.83 176.38 2j23 n ASP 45 N -3.74 0.21 -4.90 4.97 8.00 -0.77 -4.13 116.55 116.19 2j23 n ASP 45 Ca -0.03 -0.16 -0.29 0.00 0.71 0.00 0.00 54.79 55.02 2j23 n ASP 45 Cb 0.12 -0.21 0.03 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.67 3.79 0.65 -3.53 -4.23 -0.57 -4.62 115.64 104.46 2j23 s THR 46 Ca 0.24 0.30 0.29 0.00 -1.18 0.00 0.00 61.69 61.34 2j23 s THR 46 Cb 0.20 -3.54 0.31 0.00 1.34 0.00 0.00 72.50 70.81 2j23 s THR 46 CO 0.50 -0.63 1.90 -0.65 -0.54 0.00 0.00 174.62 175.20 2j23 h PRO 47 N -0.36 0.00 0.00 3.99 0.11 -1.90 -0.08 132.00 133.76 2j23 h PRO 47 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2j23 h PRO 47 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2j23 h PRO 47 CO 0.62 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.38 2j23 h ALA 48 N 1.33 1.70 0.00 -0.75 0.00 -1.91 -1.05 119.26 118.57 2j23 h ALA 48 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2j23 h ALA 48 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2j23 h ALA 48 CO -0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2j23 n GLY 49 N -1.32 -1.28 0.10 0.00 0.00 -0.04 -0.54 105.19 102.10 2j23 n GLY 49 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 2j23 n GLY 49 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2j23 h ASP 50 N 0.00 0.00 0.10 1.61 3.32 -1.34 -3.37 116.42 116.73 2j23 h ASP 50 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 2j23 h ASP 50 Cb 0.37 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 2j23 h ASP 50 CO 0.00 0.79 -2.26 0.29 -1.72 0.00 0.00 179.24 176.34 2j23 n LYS 51 N -3.36 0.68 -5.21 3.56 4.76 -0.66 -4.95 118.16 112.98 2j23 n LYS 51 Ca 0.00 0.09 -0.32 0.00 -2.87 0.00 0.00 58.31 55.22 2j23 n LYS 51 Cb 0.83 -1.58 -0.16 0.00 -1.84 0.00 0.00 35.03 32.28 2j23 n LYS 51 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2j23 s VAL 52 N -2.52 2.17 0.04 -0.18 1.01 0.30 -4.38 120.40 116.84 2j23 s VAL 52 Ca -0.15 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 2j23 s VAL 52 Cb 0.07 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2j23 s VAL 52 CO 0.78 0.57 0.77 -0.83 0.00 0.00 0.00 175.10 176.39 2j23 s GLY 53 N -0.09 2.79 -0.19 4.51 0.00 -0.64 -4.32 107.32 109.39 2j23 s GLY 53 Ca -0.06 0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.90 2j23 s GLY 53 CO 0.04 1.11 -0.00 -1.36 0.00 0.00 0.00 173.10 172.89 2j23 s PHE 54 N -0.01 3.06 0.14 1.90 0.40 -1.26 -0.62 117.98 121.58 2j23 s PHE 54 Ca 0.39 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2j23 s PHE 54 Cb -0.20 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 2j23 s PHE 54 CO 0.23 -0.16 0.04 0.71 0.70 0.00 0.00 175.22 176.74 2j23 s TYR 55 N 0.81 0.95 0.01 0.36 1.51 -0.34 -1.70 117.35 118.94 2j23 s TYR 55 Ca 0.00 -1.18 0.03 0.00 -1.01 0.00 0.00 57.07 54.91 2j23 s TYR 55 Cb -0.14 -0.54 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 2j23 s TYR 55 CO 0.02 -0.44 -0.08 -1.59 -1.11 0.00 0.00 175.55 172.35 2j23 s LYS 56 N -4.01 0.63 -0.12 -0.62 -2.85 -0.23 -1.05 119.74 111.48 2j23 s LYS 56 Ca 0.24 -0.43 -0.00 0.00 -1.00 0.00 0.00 55.97 54.78 2j23 s LYS 56 Cb 0.07 -0.57 0.02 0.00 -2.06 0.00 0.00 37.83 35.29 2j23 s LYS 56 CO 0.02 0.15 -0.10 0.08 0.10 0.00 0.00 175.35 175.60 2j23 s VAL 57 N -0.50 1.21 -0.53 1.79 1.01 -0.29 -1.35 120.40 121.73 2j23 s VAL 57 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2j23 s VAL 57 Cb -0.05 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.18 2j23 s VAL 57 CO 0.00 0.40 1.17 -0.62 0.00 0.00 0.00 175.10 176.05 2j23 s ASP 58 N 1.58 6.53 0.41 3.32 -1.08 -1.26 -1.71 116.67 124.46 2j23 s ASP 58 Ca 0.04 0.27 0.10 0.00 -0.52 0.00 0.00 52.55 52.44 2j23 s ASP 58 Cb -0.13 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.70 2j23 s ASP 58 CO -0.08 -1.39 2.00 0.58 0.52 0.00 0.00 175.17 176.80 2j23 h VAL 59 N 6.20 0.99 -0.55 1.11 2.07 -1.27 -0.67 116.25 124.13 2j23 h VAL 59 Ca -0.24 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 2j23 h VAL 59 Cb 1.06 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2j23 h VAL 59 CO 1.16 0.09 -0.07 0.44 0.02 0.00 0.00 177.57 179.21 2j23 h ASP 60 N 0.52 1.01 1.22 0.57 3.32 -1.91 -3.17 116.42 117.97 2j23 h ASP 60 Ca 0.24 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2j23 h ASP 60 Cb 0.28 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2j23 h ASP 60 CO -0.07 1.11 -0.28 -0.62 -1.72 0.00 0.00 179.24 177.67 2j23 n GLU 61 N -4.19 0.28 -3.13 3.56 1.02 -0.67 -4.44 120.64 113.08 2j23 n GLU 61 Ca 0.02 0.16 -0.25 0.00 -0.02 0.00 0.00 57.16 57.07 2j23 n GLU 61 Cb 0.38 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 2j23 n GLU 61 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2j23 n GLN 62 N -2.21 2.26 -0.34 3.49 1.13 -0.35 -4.93 117.38 116.44 2j23 n GLN 62 Ca 0.05 -4.28 -0.03 0.00 -1.94 0.00 0.00 57.00 50.79 2j23 n GLN 62 Cb 0.44 -2.00 0.10 0.00 0.11 0.00 0.00 30.24 28.89 2j23 n GLN 62 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2j23 h SER 63 N 3.35 1.12 -0.33 1.08 4.64 -1.78 -1.22 113.55 120.42 2j23 h SER 63 Ca 0.13 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2j23 h SER 63 Cb 0.69 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2j23 h SER 63 CO 0.71 0.88 0.15 -0.61 -0.87 0.00 0.00 176.83 177.08 2j23 h GLN 64 N 1.27 0.48 0.09 4.77 4.15 -1.92 0.42 115.11 124.37 2j23 h GLN 64 Ca 0.33 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 2j23 h GLN 64 Cb -0.01 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.59 2j23 h GLN 64 CO -0.06 0.46 -0.04 0.82 -1.93 0.00 0.00 178.83 178.09 2j23 h ILE 65 N 0.39 0.96 -0.98 2.39 2.04 -1.92 -1.84 117.51 118.55 2j23 h ILE 65 Ca 0.11 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2j23 h ILE 65 Cb 0.15 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2j23 h ILE 65 CO -0.01 0.04 0.64 0.00 0.00 0.00 0.00 178.15 178.82 2j23 h ALA 66 N 0.72 1.39 -0.27 1.87 0.00 -0.95 -0.72 119.26 121.31 2j23 h ALA 66 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2j23 h ALA 66 Cb 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2j23 h ALA 66 CO 0.02 0.49 -0.56 1.96 0.00 0.00 0.00 179.25 181.16 2j23 h GLN 67 N 1.20 0.84 -0.45 0.00 4.20 -0.85 -0.40 115.11 119.64 2j23 h GLN 67 Ca 0.40 -0.54 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 2j23 h GLN 67 Cb 0.07 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2j23 h GLN 67 CO -0.14 1.17 0.14 1.49 -0.67 0.00 0.00 178.83 180.83 2j23 h GLU 68 N 0.64 0.70 0.00 1.46 4.81 -0.91 -3.00 114.58 118.27 2j23 h GLU 68 Ca 0.01 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 2j23 h GLU 68 Cb 1.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2j23 h GLU 68 CO 0.12 0.67 -0.60 0.28 -0.73 0.00 0.00 179.01 178.75 2j23 h VAL 69 N 0.59 1.42 -1.43 0.32 2.07 -1.10 -3.48 116.25 114.63 2j23 h VAL 69 Ca 0.15 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.59 2j23 h VAL 69 Cb 0.26 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2j23 h VAL 69 CO -0.01 0.59 0.00 0.61 0.02 0.00 0.00 177.57 178.79 2j23 n GLY 70 N 0.23 0.62 3.70 2.17 0.00 -0.18 -5.00 105.19 106.73 2j23 n GLY 70 Ca -0.01 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.76 2.98 -0.37 -0.61 -1.09 -1.08 -4.90 121.20 113.37 2j23 s ILE 71 Ca 0.00 0.53 0.04 0.00 -2.23 0.00 0.00 60.65 58.99 2j23 s ILE 71 Cb 0.00 -3.34 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 2j23 s ILE 71 CO 0.00 0.01 0.39 0.54 -1.23 0.00 0.00 174.94 174.65 2j23 n ARG 72 N 5.12 2.85 -3.46 2.79 1.74 -1.26 -5.02 116.66 119.42 2j23 n ARG 72 Ca 0.15 -0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 56.75 2j23 n ARG 72 Cb 0.40 -0.88 -0.03 0.00 -1.02 0.00 0.00 32.46 30.94 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 -0.92 -1.50 -0.01 7.54 0.00 -1.26 -5.16 121.76 120.45 2j23 s ALA 73 Ca 0.03 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2j23 s ALA 73 Cb 0.03 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.98 2j23 s ALA 73 CO 0.12 -0.73 -0.02 1.41 0.00 0.00 0.00 175.76 176.53 2j23 s MET 74 N -3.65 0.26 0.62 0.00 1.75 -1.26 -3.65 119.30 113.37 2j23 s MET 74 Ca 0.01 -0.05 -0.14 0.00 -1.25 0.00 0.00 55.69 54.25 2j23 s MET 74 Cb -0.01 -0.31 -0.02 0.00 2.84 0.00 0.00 34.83 37.33 2j23 s MET 74 CO -0.12 0.01 1.05 -1.25 -0.65 0.00 0.00 175.02 174.06 2j23 s PRO 75 N 0.24 3.24 -0.03 4.11 0.04 -1.26 -4.82 135.00 136.52 2j23 s PRO 75 Ca -0.02 1.09 0.03 0.00 0.04 0.00 0.00 61.00 62.13 2j23 s PRO 75 Cb -0.05 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2j23 s PRO 75 CO -0.01 -0.87 -0.10 0.99 0.04 0.00 0.00 177.00 177.06 2j23 s THR 76 N -2.69 0.87 -0.26 1.26 2.01 -1.03 -0.51 115.64 115.29 2j23 s THR 76 Ca 0.61 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 62.14 2j23 s THR 76 Cb -0.15 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2j23 s THR 76 CO 0.43 0.27 0.10 -0.36 -0.69 0.00 0.00 174.62 174.37 2j23 s PHE 77 N 0.28 3.12 -0.08 4.92 0.08 0.12 -0.87 117.98 125.54 2j23 s PHE 77 Ca -0.05 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 56.69 2j23 s PHE 77 Cb -0.10 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.06 2j23 s PHE 77 CO 0.01 -0.34 -0.22 0.08 -0.10 0.00 0.00 175.22 174.65 2j23 s VAL 78 N 1.64 2.28 -0.11 -0.44 1.01 -0.46 -0.62 120.40 123.70 2j23 s VAL 78 Ca 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 2j23 s VAL 78 Cb -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2j23 s VAL 78 CO 0.05 0.56 0.08 -0.36 0.00 0.00 0.00 175.10 175.43 2j23 s PHE 79 N 0.07 3.40 0.09 5.22 0.40 -0.24 -0.83 117.98 126.08 2j23 s PHE 79 Ca -0.09 0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.64 2j23 s PHE 79 Cb -0.15 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2j23 s PHE 79 CO 0.06 0.59 -0.11 -0.06 0.70 0.00 0.00 175.22 176.39 2j23 s PHE 80 N -0.85 1.09 -0.23 0.36 0.40 -0.12 -0.68 117.98 117.95 2j23 s PHE 80 Ca 0.13 -0.57 -0.15 0.00 -0.60 0.00 0.00 56.93 55.74 2j23 s PHE 80 Cb -0.12 -0.60 0.07 0.00 0.51 0.00 0.00 43.02 42.88 2j23 s PHE 80 CO 0.03 0.02 0.57 0.21 0.70 0.00 0.00 175.22 176.76 2j23 s LYS 81 N -2.36 0.60 -1.52 0.44 2.20 -0.52 -1.70 119.74 116.88 2j23 s LYS 81 Ca 0.02 0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 56.47 2j23 s LYS 81 Cb -0.06 0.14 0.08 0.00 -1.51 0.00 0.00 37.83 36.49 2j23 s LYS 81 CO 0.01 -0.13 0.97 0.09 -0.36 0.00 0.00 175.35 175.93 2j23 n ASN 82 N 3.88 -4.91 0.00 1.43 3.02 0.48 -1.28 115.26 117.88 2j23 n ASN 82 Ca -0.19 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2j23 n ASN 82 Cb 0.57 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 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 -1.68 0.50 3.35 7.41 0.00 0.72 -4.89 105.19 110.59 2j23 n GLY 83 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.29 1.80 -0.04 1.61 -1.52 -0.40 -4.99 119.66 115.83 2j23 s GLN 84 Ca 0.00 -1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 52.00 2j23 s GLN 84 Cb 0.00 -1.98 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 2j23 s GLN 84 CO 0.00 0.51 1.32 0.21 -0.25 0.00 0.00 175.29 177.08 2j23 s LYS 85 N -1.25 4.30 -0.01 2.91 2.20 -1.26 -1.45 119.74 125.19 2j23 s LYS 85 Ca 0.12 1.84 0.08 0.00 -0.36 0.00 0.00 55.97 57.64 2j23 s LYS 85 Cb -0.10 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.52 2j23 s LYS 85 CO 0.02 -0.55 0.24 0.44 -0.36 0.00 0.00 175.35 175.15 2j23 n ILE 86 N 4.73 0.00 -3.50 5.43 -5.35 0.15 -4.96 119.36 115.85 2j23 n ILE 86 Ca 0.12 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.28 2j23 n ILE 86 Cb 0.45 0.61 -0.02 0.00 -1.74 0.00 0.00 39.64 38.94 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 -2.40 -0.38 -0.04 7.28 -1.08 -1.20 -4.99 116.67 113.86 2j23 s ASP 87 Ca -0.00 0.01 -0.03 0.00 -0.52 0.00 0.00 52.55 52.00 2j23 s ASP 87 Cb 0.05 0.39 0.01 0.00 -1.46 0.00 0.00 42.92 41.92 2j23 s ASP 87 CO 0.32 -0.63 0.11 -0.89 0.52 0.00 0.00 175.17 174.60 2j23 s THR 88 N -3.10 -0.01 -0.16 1.71 2.01 -1.26 -1.08 115.64 113.76 2j23 s THR 88 Ca 0.05 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2j23 s THR 88 Cb -0.01 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.36 2j23 s THR 88 CO -0.09 0.01 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.05 2j23 s VAL 89 N 0.24 1.44 -0.14 3.82 1.01 0.21 -4.99 120.40 121.99 2j23 s VAL 89 Ca -0.02 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 2j23 s VAL 89 Cb -0.03 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2j23 s VAL 89 CO -0.01 0.34 0.30 -0.69 0.00 0.00 0.00 175.10 175.05 2j23 s VAL 90 N 1.52 5.29 0.00 2.92 1.01 -1.26 -0.71 120.40 129.17 2j23 s VAL 90 Ca 0.03 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2j23 s VAL 90 Cb -0.14 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2j23 s VAL 90 CO -0.09 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2j23 n GLY 91 N 3.15 -2.73 3.20 4.51 0.00 0.34 -4.62 105.19 109.04 2j23 n GLY 91 Ca -0.12 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.24 4.50 -3.83 4.61 0.00 -1.26 -4.83 120.51 119.47 2j23 n ALA 92 Ca 0.00 -4.14 -0.29 0.00 0.00 0.00 0.00 53.44 49.01 2j23 n ALA 92 Cb 0.00 -3.21 -0.13 0.00 0.00 0.00 0.00 19.45 16.11 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 2.55 4.03 0.27 0.00 -1.08 -1.26 -4.98 116.67 116.19 2j23 s ASP 93 Ca 0.45 -3.00 -0.02 0.00 -0.52 0.00 0.00 52.55 49.45 2j23 s ASP 93 Cb 0.05 -1.37 0.36 0.00 -1.46 0.00 0.00 42.92 40.50 2j23 s ASP 93 CO 0.00 -0.22 1.82 1.55 0.52 0.00 0.00 175.17 178.85 2j23 h PRO 94 N 6.38 0.91 -0.39 4.34 0.13 -1.98 -0.97 132.00 140.41 2j23 h PRO 94 Ca -0.01 -0.18 -0.16 0.00 -0.87 0.00 0.00 66.00 64.79 2j23 h PRO 94 Cb 0.88 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2j23 h PRO 94 CO 0.60 0.79 -0.36 0.66 -0.23 0.00 0.00 178.00 179.46 2j23 h SER 95 N 0.88 1.00 -0.45 1.44 4.64 -1.99 -0.94 113.55 118.13 2j23 h SER 95 Ca 0.20 -0.46 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 2j23 h SER 95 Cb 0.26 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2j23 h SER 95 CO -0.01 1.25 -0.09 0.11 -0.87 0.00 0.00 176.83 177.23 2j23 h LYS 96 N 0.76 0.91 -0.06 4.77 1.57 -1.95 -0.44 116.57 122.13 2j23 h LYS 96 Ca 0.07 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2j23 h LYS 96 Cb 0.96 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 2j23 h LYS 96 CO 0.09 0.95 0.02 1.25 -0.57 0.00 0.00 179.45 181.20 2j23 h LEU 97 N 0.82 0.08 -0.61 2.94 5.85 -1.07 -1.92 115.31 121.40 2j23 h LEU 97 Ca 0.14 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2j23 h LEU 97 Cb 0.61 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2j23 h LEU 97 CO 0.04 0.21 0.35 -0.61 -0.34 0.00 0.00 178.44 178.09 2j23 h GLN 98 N -0.05 0.85 -0.91 1.25 5.75 -1.05 -1.12 115.11 119.83 2j23 h GLN 98 Ca 0.02 -0.09 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2j23 h GLN 98 Cb 0.16 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2j23 h GLN 98 CO -0.00 0.63 0.59 0.00 -2.65 0.00 0.00 178.83 177.40 2j23 h ALA 99 N 1.17 1.19 -0.37 3.38 0.00 -0.97 -0.85 119.26 122.82 2j23 h ALA 99 Ca 0.22 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 2j23 h ALA 99 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2j23 h ALA 99 CO -0.04 0.47 -0.42 0.00 0.00 0.00 0.00 179.25 179.27 2j23 h ALA 100 N 1.37 0.56 -0.74 0.00 0.00 -1.02 -0.93 119.26 118.50 2j23 h ALA 100 Ca 0.36 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2j23 h ALA 100 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2j23 h ALA 100 CO -0.11 0.68 0.41 0.82 0.00 0.00 0.00 179.25 181.05 2j23 h ILE 101 N 0.75 1.22 -0.47 0.00 2.04 -0.74 -1.12 117.51 119.19 2j23 h ILE 101 Ca 0.05 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 2j23 h ILE 101 Cb 1.01 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2j23 h ILE 101 CO 0.10 0.24 0.07 0.74 0.00 0.00 0.00 178.15 179.30 2j23 h THR 102 N 1.01 1.25 -0.43 -0.27 2.02 -1.05 -1.75 112.91 113.70 2j23 h THR 102 Ca 0.26 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 66.56 2j23 h THR 102 Cb 0.02 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2j23 h THR 102 CO -0.04 0.32 0.18 -0.61 0.37 0.00 0.00 175.52 175.74 2j23 h GLN 103 N 0.65 0.36 -0.01 6.66 5.75 -0.84 -2.99 115.11 124.69 2j23 h GLN 103 Ca 0.14 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2j23 h GLN 103 Cb 0.40 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.86 2j23 h GLN 103 CO 0.01 0.24 -0.03 0.72 -2.65 0.00 0.00 178.83 177.12 2j23 n HIS 104 N -4.96 0.00 -0.10 3.99 8.25 -0.45 -3.62 115.22 118.33 2j23 n HIS 104 Ca 0.03 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.59 2j23 n HIS 104 Cb 0.14 -0.02 0.23 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.04 3.43 0.00 0.41 3.41 -0.67 -4.86 113.62 115.30 2j23 n SER 105 Ca 0.19 -1.96 0.10 0.00 -0.26 0.00 0.00 58.87 56.93 2j23 n SER 105 Cb 0.33 -0.33 0.58 0.00 -0.26 0.00 0.00 64.21 64.53 2j23 n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88