#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u38 s PHE 18 N 0.00 2.22 -0.29 -1.84 0.40 -1.26 -0.24 117.98 116.97 1u38 s PHE 18 Ca 0.00 1.59 -0.14 0.00 -0.60 0.00 0.00 56.93 57.78 1u38 s PHE 18 Cb 0.00 -3.37 0.12 0.00 0.51 0.00 0.00 43.02 40.27 1u38 s PHE 18 CO 0.00 -2.32 0.75 -1.59 0.70 0.00 0.00 175.22 172.76 1u38 s LYS 19 N -3.97 0.56 -0.59 0.44 0.00 0.26 -4.84 119.74 111.60 1u38 s LYS 19 Ca 0.72 1.16 -0.26 0.00 0.00 0.00 0.00 55.97 57.59 1u38 s LYS 19 Cb -0.26 0.42 -0.03 0.00 0.00 0.00 0.00 37.83 37.96 1u38 s LYS 19 CO 0.44 -0.15 1.93 0.16 0.00 0.00 0.00 175.35 177.73 1u38 s ASP 20 N 2.13 5.17 -0.42 0.03 -4.77 -1.26 -2.22 116.67 115.33 1u38 s ASP 20 Ca -0.08 0.44 -0.27 0.00 -3.30 0.00 0.00 52.55 49.35 1u38 s ASP 20 Cb -0.07 -2.53 0.02 0.00 -1.09 0.00 0.00 42.92 39.25 1u38 s ASP 20 CO -0.19 -2.44 1.02 -0.69 0.70 0.00 0.00 175.17 173.58 1u38 s VAL 21 N 9.45 4.41 -0.38 2.11 1.01 0.30 -4.87 120.40 132.43 1u38 s VAL 21 Ca 0.71 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.79 1u38 s VAL 21 Cb -0.13 -4.46 0.08 0.00 0.00 0.00 0.00 36.38 31.86 1u38 s VAL 21 CO 0.21 -0.77 0.17 0.12 0.00 0.00 0.00 175.10 174.83 1u38 s PHE 22 N 3.91 3.40 -0.43 5.22 5.36 -1.25 0.08 117.98 134.26 1u38 s PHE 22 Ca 0.42 -1.90 -0.10 0.00 -0.96 0.00 0.00 56.93 54.40 1u38 s PHE 22 Cb -0.10 -2.80 0.08 0.00 -0.34 0.00 0.00 43.02 39.87 1u38 s PHE 22 CO 0.25 -0.87 0.29 0.42 -1.46 0.00 0.00 175.22 173.85 1u38 s ILE 23 N 1.29 4.34 -0.46 3.12 -1.09 -0.31 -4.90 121.20 123.19 1u38 s ILE 23 Ca 0.03 -1.42 -0.26 0.00 -2.23 0.00 0.00 60.65 56.76 1u38 s ILE 23 Cb -0.22 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1u38 s ILE 23 CO -0.01 -0.56 0.97 -1.61 -1.23 0.00 0.00 174.94 172.50 1u38 s GLU 24 N 1.44 3.59 0.05 2.79 8.01 -1.26 -0.75 118.70 132.57 1u38 s GLU 24 Ca 0.03 0.26 0.01 0.00 0.01 0.00 0.00 54.97 55.28 1u38 s GLU 24 Cb -0.24 -3.92 -0.00 0.00 -4.31 0.00 0.00 34.13 25.67 1u38 s GLU 24 CO 0.02 -1.24 0.03 0.36 0.01 0.00 0.00 175.26 174.44 1u38 n LYS 25 N 7.28 0.63 -4.09 1.61 -0.00 0.97 -4.97 118.16 119.59 1u38 n LYS 25 Ca 0.07 -0.46 -0.23 0.00 -0.00 0.00 0.00 58.31 57.69 1u38 n LYS 25 Cb 0.49 0.29 -0.07 0.00 -0.00 0.00 0.00 35.03 35.74 1u38 n LYS 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1u38 s GLN 26 N -2.20 2.32 0.81 -1.58 1.11 -1.26 -4.13 119.66 114.72 1u38 s GLN 26 Ca 0.04 -1.64 -0.12 0.00 0.01 0.00 0.00 55.36 53.65 1u38 s GLN 26 Cb 0.00 -2.12 0.08 0.00 -1.01 0.00 0.00 33.01 29.96 1u38 s GLN 26 CO 0.03 0.03 1.13 0.15 0.01 0.00 0.00 175.29 176.64 1u38 s LYS 27 N -3.87 1.83 -1.44 2.91 1.02 -1.23 -2.89 119.74 116.06 1u38 s LYS 27 Ca 0.39 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.82 1u38 s LYS 27 Cb -0.01 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1u38 s LYS 27 CO 0.23 -2.01 0.00 0.41 -0.92 0.00 0.00 175.35 173.06 1u38 n GLY 28 N -0.34 1.36 0.89 -3.33 0.00 -1.19 -4.82 105.19 97.76 1u38 n GLY 28 Ca 0.11 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1u38 n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u38 n GLU 29 N -1.87 1.04 0.00 1.61 1.02 -1.14 -5.03 120.64 116.28 1u38 n GLU 29 Ca -0.14 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 1u38 n GLU 29 Cb 0.54 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 1u38 n GLU 29 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1u38 n ILE 30 N -0.58 0.00 0.00 -3.67 -5.35 -1.26 -4.35 119.36 104.15 1u38 n ILE 30 Ca 0.14 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 1u38 n ILE 30 Cb 0.84 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 1u38 n ILE 30 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1u38 n LEU 31 N 0.00 0.00 -0.86 7.28 7.94 -1.26 -4.77 117.00 125.33 1u38 n LEU 31 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1u38 n LEU 31 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1u38 n LEU 31 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1u38 n GLY 32 N 0.00 0.66 3.31 -3.96 0.00 -1.26 -1.85 105.19 102.08 1u38 n GLY 32 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 1u38 n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u38 s VAL 33 N -2.58 0.06 -0.17 1.61 -7.23 -1.26 0.21 120.40 111.04 1u38 s VAL 33 Ca 0.00 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1u38 s VAL 33 Cb 0.00 -1.01 0.04 0.00 0.56 0.00 0.00 36.38 35.97 1u38 s VAL 33 CO 0.00 -0.29 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.71 1u38 s VAL 34 N -2.82 1.40 0.11 1.32 1.01 0.36 -4.89 120.40 116.89 1u38 s VAL 34 Ca -0.03 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1u38 s VAL 34 Cb -0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1u38 s VAL 34 CO -0.05 0.23 0.16 0.27 0.00 0.00 0.00 175.10 175.71 1u38 s ILE 35 N 1.52 4.87 0.17 2.22 -4.36 -1.26 0.42 121.20 124.78 1u38 s ILE 35 Ca 0.01 -0.74 -0.01 0.00 -0.26 0.00 0.00 60.65 59.66 1u38 s ILE 35 Cb -0.15 -3.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.11 1u38 s ILE 35 CO -0.09 0.04 0.10 0.68 0.24 0.00 0.00 174.94 175.91 1u38 s VAL 36 N -1.56 0.04 0.23 8.37 -7.23 0.11 -4.84 120.40 115.51 1u38 s VAL 36 Ca 0.32 -1.96 -0.32 0.00 -1.81 0.00 0.00 61.98 58.21 1u38 s VAL 36 Cb -0.12 -2.32 -0.12 0.00 0.56 0.00 0.00 36.38 34.38 1u38 s VAL 36 CO 0.25 -0.18 1.62 -0.62 -0.31 0.00 0.00 175.10 175.87 1u38 n GLU 37 N -0.20 2.57 -2.28 4.82 1.02 -1.26 0.63 120.64 125.93 1u38 n GLU 37 Ca -0.01 0.92 -0.34 0.00 -0.02 0.00 0.00 57.16 57.71 1u38 n GLU 37 Cb 0.65 -2.71 -0.04 0.00 -0.02 0.00 0.00 31.44 29.32 1u38 n GLU 37 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1u38 s SER 38 N 0.82 5.76 0.00 1.62 1.04 -1.26 -4.64 113.70 117.04 1u38 s SER 38 Ca 0.71 -1.59 0.28 0.00 0.48 0.00 0.00 55.95 55.84 1u38 s SER 38 Cb -0.55 -2.58 1.06 0.00 0.10 0.00 0.00 66.02 64.05 1u38 s SER 38 CO 0.40 -2.25 1.80 0.61 0.98 0.00 0.00 173.24 174.77 1u38 n GLY 39 N 6.15 -1.40 0.00 7.32 0.00 -1.26 -4.56 105.19 111.43 1u38 n GLY 39 Ca 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1u38 n GLY 39 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1u38 n TRP 40 N -1.47 -0.89 -0.02 1.61 4.27 -1.26 -4.65 117.44 115.04 1u38 n TRP 40 Ca 0.07 0.00 0.24 0.00 -3.89 0.00 0.00 57.50 53.92 1u38 n TRP 40 Cb 0.33 0.00 0.68 0.00 -1.36 0.00 0.00 31.31 30.97 1u38 n TRP 40 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1u38 h GLY 41 N -0.13 0.00 -0.57 -1.67 0.00 -2.03 -3.44 103.07 95.23 1u38 h GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u38 h GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1u38 n SER 42 N -3.66 -1.54 -0.34 0.19 7.64 -1.26 -4.94 113.62 109.70 1u38 n SER 42 Ca 0.13 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.18 1u38 n SER 42 Cb 0.88 -0.49 0.39 0.00 -1.01 0.00 0.00 64.21 63.98 1u38 n SER 42 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1u38 h ILE 43 N 0.00 0.58 -2.10 0.44 2.04 -1.94 -3.29 117.51 113.24 1u38 h ILE 43 Ca 0.00 -0.20 -0.44 0.00 1.00 0.00 0.00 64.86 65.22 1u38 h ILE 43 Cb 0.97 -0.07 -0.33 0.00 -0.74 0.00 0.00 36.82 36.65 1u38 h ILE 43 CO 0.00 0.11 -0.76 -0.76 0.00 0.00 0.00 178.15 176.74 1u38 s LEU 44 N -10.21 0.33 -0.89 1.44 1.43 -1.26 -5.09 118.68 104.43 1u38 s LEU 44 Ca -0.10 -1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 50.82 1u38 s LEU 44 Cb 0.26 0.27 -0.23 0.00 0.03 0.00 0.00 46.19 46.52 1u38 s LEU 44 CO 0.80 -0.24 2.29 -0.81 0.23 0.00 0.00 176.35 178.62 1u38 n PRO 45 N 3.86 0.29 0.00 1.29 -0.04 -1.24 -4.52 135.00 134.64 1u38 n PRO 45 Ca 0.15 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1u38 n PRO 45 Cb 0.44 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1u38 n PRO 45 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1u38 n THR 46 N 7.23 0.00 -3.78 0.52 5.66 -1.26 0.39 114.28 123.04 1u38 n THR 46 Ca 0.57 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.49 1u38 n THR 46 Cb 0.29 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.05 1u38 n THR 46 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1u38 s VAL 47 N 0.16 0.00 -0.05 1.08 -7.23 -1.26 -4.09 120.40 109.01 1u38 s VAL 47 Ca 0.00 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 1u38 s VAL 47 Cb 0.00 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.16 1u38 s VAL 47 CO 0.00 -0.02 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.05 1u38 s ILE 48 N -3.89 0.86 -0.77 -0.62 1.01 0.20 -3.35 121.20 114.63 1u38 s ILE 48 Ca 0.10 -0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 1u38 s ILE 48 Cb -0.04 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 1u38 s ILE 48 CO 0.02 0.29 2.00 -0.63 0.00 0.00 0.00 174.94 176.62 1u38 s ILE 49 N 0.65 3.34 -2.38 2.92 1.01 -0.49 -0.71 121.20 125.53 1u38 s ILE 49 Ca -0.11 -0.12 0.26 0.00 0.00 0.00 0.00 60.65 60.67 1u38 s ILE 49 Cb -0.14 -3.81 0.31 0.00 0.01 0.00 0.00 42.46 38.83 1u38 s ILE 49 CO 0.02 -0.77 1.48 0.00 0.00 0.00 0.00 174.94 175.67 1u38 n ALA 50 N 14.23 2.81 -3.57 9.38 0.00 0.17 0.80 120.51 144.33 1u38 n ALA 50 Ca 0.34 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1u38 n ALA 50 Cb 0.49 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1u38 n ALA 50 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1u38 s ASN 51 N -2.19 -0.32 -0.12 0.00 2.47 -0.86 -4.94 114.94 108.97 1u38 s ASN 51 Ca 0.29 0.27 -0.05 0.00 0.42 0.00 0.00 52.86 53.79 1u38 s ASN 51 Cb 0.20 0.28 0.06 0.00 -1.45 0.00 0.00 41.25 40.34 1u38 s ASN 51 CO 0.41 -0.35 0.26 -0.04 -3.72 0.00 0.00 177.10 173.65 1u38 s MET 52 N -1.56 0.15 -0.83 0.43 -1.94 -1.26 0.14 119.30 114.43 1u38 s MET 52 Ca 0.01 0.71 -0.22 0.00 -1.71 0.00 0.00 55.69 54.49 1u38 s MET 52 Cb -0.01 -0.05 -0.19 0.00 2.01 0.00 0.00 34.83 36.59 1u38 s MET 52 CO -0.02 -0.27 2.36 -0.12 -0.01 0.00 0.00 175.02 176.96 1u38 n MET 53 N 5.20 0.44 -1.56 2.03 1.56 0.13 -4.78 117.12 120.14 1u38 n MET 53 Ca -0.09 -0.57 -0.13 0.00 -0.27 0.00 0.00 57.70 56.64 1u38 n MET 53 Cb 0.50 -2.96 -0.11 0.00 2.15 0.00 0.00 33.22 32.81 1u38 n MET 53 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1u38 n HIS 54 N 15.08 0.93 0.00 1.12 8.25 -1.26 -1.48 115.22 137.86 1u38 n HIS 54 Ca 0.52 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1u38 n HIS 54 Cb 0.36 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 28.92 1u38 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u38 n GLY 55 N 6.26 0.43 0.00 -1.41 0.00 -1.26 -5.06 105.19 104.15 1u38 n GLY 55 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1u38 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u38 n GLY 56 N 0.00 -1.07 0.17 -0.02 0.00 -0.55 -4.81 105.19 98.91 1u38 n GLY 56 Ca 0.00 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.51 1u38 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u38 h PRO 57 N 0.00 0.00 -0.04 1.61 0.13 -1.86 -2.68 132.00 129.16 1u38 h PRO 57 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1u38 h PRO 57 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1u38 h PRO 57 CO 0.00 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 177.76 1u38 h ALA 58 N 2.19 0.05 0.03 -0.56 0.00 -1.63 -1.82 119.26 117.52 1u38 h ALA 58 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 1u38 h ALA 58 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u38 h ALA 58 CO 0.00 -0.24 -0.97 1.49 0.00 0.00 0.00 179.25 179.53 1u38 h GLU 59 N -0.28 0.22 -0.41 0.00 4.57 -1.75 -3.13 114.58 113.80 1u38 h GLU 59 Ca 0.01 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 1u38 h GLU 59 Cb 0.41 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1u38 h GLU 59 CO 0.00 1.03 0.23 0.87 -1.18 0.00 0.00 179.01 179.97 1u38 h LYS 60 N 0.11 0.56 0.16 1.92 1.57 -1.49 -3.28 116.57 116.12 1u38 h LYS 60 Ca -0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1u38 h LYS 60 Cb 1.63 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1u38 h LYS 60 CO 0.15 0.44 -0.08 0.77 -0.57 0.00 0.00 179.45 180.17 1u38 h SER 61 N 0.53 -0.18 0.00 0.86 0.02 -1.40 -3.48 113.55 109.90 1u38 h SER 61 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1u38 h SER 61 Cb 0.04 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1u38 h SER 61 CO -0.02 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 1u38 n GLY 62 N -0.56 2.29 0.37 -3.77 0.00 -1.18 -4.92 105.19 97.41 1u38 n GLY 62 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.18 1u38 n GLY 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1u38 h LYS 63 N 0.70 0.00 -5.51 1.61 -0.00 -1.93 -3.39 116.57 108.06 1u38 h LYS 63 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 60.65 60.03 1u38 h LYS 63 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 32.14 1u38 h LYS 63 CO 0.00 0.00 -0.43 -0.51 -0.00 0.00 0.00 179.45 178.51 1u38 s LEU 64 N -7.91 4.30 -0.02 7.07 1.43 -1.26 -4.99 118.68 117.31 1u38 s LEU 64 Ca -0.05 0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1u38 s LEU 64 Cb 0.17 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1u38 s LEU 64 CO 0.60 0.26 0.03 0.20 0.23 0.00 0.00 176.35 177.68 1u38 s ASN 65 N -0.25 0.02 0.40 2.29 0.01 -1.26 -4.91 114.94 111.23 1u38 s ASN 65 Ca 0.13 0.05 -0.23 0.00 -0.71 0.00 0.00 52.86 52.11 1u38 s ASN 65 Cb -0.12 -0.01 -0.13 0.00 0.41 0.00 0.00 41.25 41.40 1u38 s ASN 65 CO 0.03 -0.07 0.59 -0.38 -1.51 0.00 0.00 177.10 175.75 1u38 n ILE 66 N 3.66 1.81 -0.45 0.60 2.08 -1.26 -2.04 119.36 123.76 1u38 n ILE 66 Ca -0.20 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.61 1u38 n ILE 66 Cb 0.55 -0.56 0.00 0.00 -0.75 0.00 0.00 39.64 38.87 1u38 n ILE 66 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1u38 n GLY 67 N 1.74 0.99 3.91 7.39 0.00 0.24 -4.95 105.19 114.51 1u38 n GLY 67 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1u38 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u38 s ASP 68 N -3.03 5.68 -0.20 1.61 1.01 -0.86 -4.78 116.67 116.10 1u38 s ASP 68 Ca 0.00 0.80 0.01 0.00 0.71 0.00 0.00 52.55 54.07 1u38 s ASP 68 Cb 0.00 -1.82 0.03 0.00 1.01 0.00 0.00 42.92 42.14 1u38 s ASP 68 CO 0.00 -1.02 -0.17 -1.10 0.21 0.00 0.00 175.17 173.08 1u38 s GLN 69 N -5.00 2.89 -0.46 8.23 -1.52 -1.03 -1.40 119.66 121.37 1u38 s GLN 69 Ca 0.53 -0.91 -0.21 0.00 -1.95 0.00 0.00 55.36 52.83 1u38 s GLN 69 Cb -0.11 -2.65 0.03 0.00 -0.22 0.00 0.00 33.01 30.06 1u38 s GLN 69 CO 0.46 -0.27 0.67 0.42 -0.25 0.00 0.00 175.29 176.32 1u38 s ILE 70 N 1.27 4.79 -0.00 1.08 1.01 -1.21 0.15 121.20 128.28 1u38 s ILE 70 Ca 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 1u38 s ILE 70 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1u38 s ILE 70 CO -0.11 -0.69 0.67 0.24 0.00 0.00 0.00 174.94 175.04 1u38 h MET 71 N 8.95 -0.25 -4.58 2.79 2.86 -0.98 -3.38 114.93 120.33 1u38 h MET 71 Ca -0.26 0.02 -0.29 0.00 -2.06 0.00 0.00 59.70 57.11 1u38 h MET 71 Cb 1.09 0.06 -0.22 0.00 0.06 0.00 0.00 31.60 32.59 1u38 h MET 71 CO 0.93 -0.17 -0.74 -1.54 1.06 0.00 0.00 176.91 176.45 1u38 s SER 72 N -3.21 0.87 -0.25 1.22 1.04 -1.15 0.13 113.70 112.35 1u38 s SER 72 Ca -0.04 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1u38 s SER 72 Cb 0.00 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.18 1u38 s SER 72 CO 0.11 -0.16 -0.10 -0.63 0.98 0.00 0.00 173.24 173.45 1u38 s ILE 73 N -1.19 2.42 -2.04 -1.02 1.01 -0.34 -0.14 121.20 119.90 1u38 s ILE 73 Ca -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1u38 s ILE 73 Cb -0.09 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1u38 s ILE 73 CO 0.00 0.09 0.00 0.59 0.00 0.00 0.00 174.94 175.62 1u38 n ASN 74 N 4.54 -5.63 0.00 3.58 3.02 0.31 -1.68 115.26 119.40 1u38 n ASN 74 Ca -0.15 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1u38 n ASN 74 Cb 0.44 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 1u38 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u38 n GLY 75 N -0.63 1.43 3.56 7.41 0.00 -1.26 -5.04 105.19 110.66 1u38 n GLY 75 Ca -0.22 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1u38 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u38 s THR 76 N -1.66 3.32 0.25 2.61 2.01 -0.67 -4.95 115.64 116.55 1u38 s THR 76 Ca 0.00 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1u38 s THR 76 Cb 0.00 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 1u38 s THR 76 CO 0.00 -0.65 1.29 -0.44 -0.69 0.00 0.00 174.62 174.14 1u38 s SER 77 N 8.40 6.89 -0.00 3.53 0.01 -1.26 -1.20 113.70 130.06 1u38 s SER 77 Ca 0.75 2.49 0.08 0.00 1.31 0.00 0.00 55.95 60.59 1u38 s SER 77 Cb -0.16 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.35 1u38 s SER 77 CO 0.24 -0.50 0.29 0.18 0.41 0.00 0.00 173.24 173.87 1u38 n LEU 78 N 1.90 0.25 -4.56 2.44 4.77 0.34 -4.89 117.00 117.26 1u38 n LEU 78 Ca 0.03 -0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.39 1u38 n LEU 78 Cb 0.42 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1u38 n LEU 78 CO 0.58 0.06 1.51 -0.69 -1.33 0.00 0.00 177.39 177.53 1u38 s VAL 79 N -2.06 3.29 0.00 4.08 1.01 -1.21 -2.23 120.40 123.27 1u38 s VAL 79 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1u38 s VAL 79 Cb 0.06 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1u38 s VAL 79 CO 0.34 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.38 1u38 n GLY 80 N 6.32 1.32 3.96 4.51 0.00 0.16 -4.95 105.19 116.51 1u38 n GLY 80 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 1u38 n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1u38 s LEU 81 N 0.00 4.33 0.00 0.99 2.34 -0.95 -5.07 118.68 120.32 1u38 s LEU 81 Ca 0.00 0.12 -0.10 0.00 0.06 0.00 0.00 54.13 54.21 1u38 s LEU 81 Cb 0.00 -2.89 0.15 0.00 -0.56 0.00 0.00 46.19 42.89 1u38 s LEU 81 CO 0.00 -0.02 0.39 -0.81 -1.06 0.00 0.00 176.35 174.86 1u38 n PRO 82 N -1.01 -2.83 -0.03 1.48 -0.04 -1.26 -4.74 135.00 126.57 1u38 n PRO 82 Ca -0.08 -0.65 -0.15 0.00 -0.04 0.00 0.00 63.50 62.58 1u38 n PRO 82 Cb 0.56 -0.77 -0.13 0.00 -0.04 0.00 0.00 33.50 33.12 1u38 n PRO 82 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1u38 h LEU 83 N 0.00 0.14 -0.86 1.53 7.12 -1.93 -3.09 115.31 118.21 1u38 h LEU 83 Ca -0.17 -0.90 0.14 0.00 0.13 0.00 0.00 57.88 57.08 1u38 h LEU 83 Cb 0.55 -0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 40.55 1u38 h LEU 83 CO 0.10 1.02 0.47 0.77 -0.13 0.00 0.00 178.44 180.67 1u38 h SER 84 N -0.72 0.60 -0.15 1.25 4.64 -1.96 -1.01 113.55 116.20 1u38 h SER 84 Ca -0.03 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1u38 h SER 84 Cb 1.07 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1u38 h SER 84 CO 0.04 0.28 0.08 0.74 -0.87 0.00 0.00 176.83 177.10 1u38 h THR 85 N 0.69 1.10 -0.18 2.95 2.02 -1.94 -2.57 112.91 114.99 1u38 h THR 85 Ca 0.46 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.42 1u38 h THR 85 Cb 0.59 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1u38 h THR 85 CO -0.33 0.09 -0.06 0.00 0.37 0.00 0.00 175.52 175.59 1u38 h GLN 87 N -0.02 0.26 -0.59 0.00 4.20 -1.11 0.36 115.11 118.21 1u38 h GLN 87 Ca 0.09 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.80 1u38 h GLN 87 Cb 0.15 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1u38 h GLN 87 CO -0.20 0.17 0.39 0.77 -0.67 0.00 0.00 178.83 179.30 1u38 h SER 88 N 0.27 0.65 -0.09 1.46 0.02 -0.96 0.49 113.55 115.38 1u38 h SER 88 Ca 0.38 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1u38 h SER 88 Cb 0.61 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1u38 h SER 88 CO -0.47 0.47 -0.02 0.40 -1.14 0.00 0.00 176.83 176.06 1u38 h ILE 89 N 0.77 0.91 -0.19 3.27 1.08 0.50 -1.03 117.51 122.82 1u38 h ILE 89 Ca 0.22 -0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.62 1u38 h ILE 89 Cb -0.04 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1u38 h ILE 89 CO -0.05 0.00 -0.17 0.40 -0.69 0.00 0.00 178.15 177.64 1u38 h ILE 90 N 0.00 1.33 -0.15 -0.67 2.04 -0.97 -2.84 117.51 116.24 1u38 h ILE 90 Ca 0.04 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.63 1u38 h ILE 90 Cb 0.07 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1u38 h ILE 90 CO -0.10 0.40 0.25 0.11 0.00 0.00 0.00 178.15 178.82 1u38 h LYS 91 N 0.12 0.00 0.08 2.37 1.57 -0.73 -0.09 116.57 119.89 1u38 h LYS 91 Ca 0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.56 1u38 h LYS 91 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1u38 h LYS 91 CO 0.04 0.00 -1.18 0.78 -0.57 0.00 0.00 179.45 178.52 1u38 h GLY 92 N 0.00 0.20 -3.68 3.86 0.00 -0.95 -3.30 103.07 99.22 1u38 h GLY 92 Ca 0.07 -0.52 -0.47 0.00 0.00 0.00 0.00 47.33 46.41 1u38 h GLY 92 CO -0.00 0.46 0.60 1.47 0.00 0.00 0.00 176.54 179.07 1u38 n LEU 93 N -3.46 6.59 -0.16 3.11 -0.00 -0.05 -4.33 117.00 118.69 1u38 n LEU 93 Ca -0.06 -3.53 0.13 0.00 -0.00 0.00 0.00 56.01 52.56 1u38 n LEU 93 Cb 1.00 -0.89 0.45 0.00 -0.00 0.00 0.00 43.42 43.98 1u38 n LEU 93 CO 0.51 1.16 0.72 1.17 -0.00 0.00 0.00 177.39 180.95 1u38 n LYS 94 N -0.59 0.64 -1.81 1.47 0.00 -1.18 -4.12 118.16 112.57 1u38 n LYS 94 Ca 0.48 -0.32 -0.32 0.00 0.00 0.00 0.00 58.31 58.15 1u38 n LYS 94 Cb 1.01 -1.49 0.04 0.00 0.00 0.00 0.00 35.03 34.60 1u38 n LYS 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1u38 n ASN 95 N -0.90 6.58 -4.08 3.14 4.13 -1.26 -3.20 115.26 119.66 1u38 n ASN 95 Ca 0.12 -3.78 -0.23 0.00 1.68 0.00 0.00 54.58 52.37 1u38 n ASN 95 Cb 0.32 -0.78 -0.09 0.00 -1.54 0.00 0.00 39.78 37.70 1u38 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u38 s GLN 96 N -3.79 1.79 -0.02 3.52 -2.07 -1.26 -4.92 119.66 112.91 1u38 s GLN 96 Ca 0.56 -2.06 0.19 0.00 -1.82 0.00 0.00 55.36 52.23 1u38 s GLN 96 Cb 0.45 -0.44 -0.27 0.00 -1.09 0.00 0.00 33.01 31.66 1u38 s GLN 96 CO -0.13 -0.45 0.55 0.45 -1.32 0.00 0.00 175.29 174.40 1u38 n SER 97 N -1.14 0.66 -4.16 12.60 2.88 -1.26 -3.57 113.62 119.62 1u38 n SER 97 Ca -0.03 -0.31 -0.18 0.00 -1.33 0.00 0.00 58.87 57.03 1u38 n SER 97 Cb 0.65 1.60 -0.12 0.00 -0.75 0.00 0.00 64.21 65.59 1u38 n SER 97 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1u38 s ARG 98 N -3.17 0.80 -0.27 -1.46 1.81 -1.26 -0.02 118.95 115.38 1u38 s ARG 98 Ca -0.02 -0.96 -0.00 0.00 -1.72 0.00 0.00 55.73 53.02 1u38 s ARG 98 Cb 0.13 -0.77 0.08 0.00 -0.45 0.00 0.00 34.95 33.95 1u38 s ARG 98 CO 0.80 0.17 0.04 0.08 -0.68 0.00 0.00 175.30 175.71 1u38 s VAL 99 N -1.38 1.15 -0.24 3.52 1.01 0.07 -4.92 120.40 119.61 1u38 s VAL 99 Ca -0.02 -1.32 -0.20 0.00 0.00 0.00 0.00 61.98 60.44 1u38 s VAL 99 Cb -0.09 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1u38 s VAL 99 CO 0.02 -0.44 0.61 -0.54 0.00 0.00 0.00 175.10 174.75 1u38 s LYS 100 N 1.52 4.13 -0.07 2.72 -0.14 -1.26 -1.17 119.74 125.47 1u38 s LYS 100 Ca 0.04 0.53 -0.03 0.00 -1.36 0.00 0.00 55.97 55.15 1u38 s LYS 100 Cb -0.18 -3.63 0.04 0.00 -1.68 0.00 0.00 37.83 32.38 1u38 s LYS 100 CO -0.15 -0.36 0.08 -0.51 -0.76 0.00 0.00 175.35 173.65 1u38 s LEU 101 N 2.31 0.16 -0.68 3.17 1.43 0.11 0.11 118.68 125.30 1u38 s LEU 101 Ca 0.26 -0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 1u38 s LEU 101 Cb -0.16 -0.12 0.07 0.00 0.03 0.00 0.00 46.19 46.01 1u38 s LEU 101 CO 0.09 -0.27 0.99 0.21 0.23 0.00 0.00 176.35 177.60 1u38 s ASN 102 N 2.17 6.20 0.38 2.29 3.04 0.80 0.11 114.94 129.92 1u38 s ASN 102 Ca 0.04 -1.03 0.08 0.00 0.04 0.00 0.00 52.86 52.00 1u38 s ASN 102 Cb -0.13 -2.42 -0.07 0.00 -1.54 0.00 0.00 41.25 37.09 1u38 s ASN 102 CO -0.05 -1.44 -0.01 0.27 -3.04 0.00 0.00 177.10 172.84 1u38 s ILE 103 N 4.07 2.22 -0.15 -5.21 -4.36 -0.94 -0.27 121.20 116.57 1u38 s ILE 103 Ca 0.23 -2.04 -0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1u38 s ILE 103 Cb -0.16 -2.84 -0.02 0.00 1.25 0.00 0.00 42.46 40.69 1u38 s ILE 103 CO 0.09 -0.10 -0.09 0.54 0.24 0.00 0.00 174.94 175.62 1u38 s VAL 104 N -2.63 3.39 -2.01 8.37 0.11 0.12 0.93 120.40 128.68 1u38 s VAL 104 Ca 0.35 -0.54 0.16 0.00 -2.93 0.00 0.00 61.98 59.02 1u38 s VAL 104 Cb 0.05 -2.46 0.13 0.00 -1.53 0.00 0.00 36.38 32.57 1u38 s VAL 104 CO 0.18 0.50 1.01 -1.14 -3.33 0.00 0.00 175.10 172.32