#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 2.19 -0.29 -1.84 0.40 -1.26 -0.89 117.98 116.29 1u38 s PHE 18 Ca 0.00 1.59 -0.15 0.00 -0.60 0.00 0.00 56.93 57.77 1u38 s PHE 18 Cb 0.00 -3.40 0.10 0.00 0.51 0.00 0.00 43.02 40.23 1u38 s PHE 18 CO 0.00 -2.38 0.72 -1.59 0.70 0.00 0.00 175.22 172.66 1u38 s LYS 19 N -3.94 0.64 -0.64 0.44 0.00 0.22 -4.83 119.74 111.63 1u38 s LYS 19 Ca 0.73 1.21 -0.27 0.00 0.00 0.00 0.00 55.97 57.64 1u38 s LYS 19 Cb -0.27 0.30 0.01 0.00 0.00 0.00 0.00 37.83 37.87 1u38 s LYS 19 CO 0.44 -0.15 1.45 0.34 0.00 0.00 0.00 175.35 177.43 1u38 s ASP 20 N 1.91 5.97 0.09 0.03 -1.08 -1.26 -1.94 116.67 120.39 1u38 s ASP 20 Ca -0.09 0.00 -0.27 0.00 -0.52 0.00 0.00 52.55 51.68 1u38 s ASP 20 Cb -0.06 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.79 1u38 s ASP 20 CO -0.19 -1.90 0.84 -0.69 0.52 0.00 0.00 175.17 173.76 1u38 s VAL 21 N 6.54 4.59 -0.28 1.11 1.01 0.22 -4.87 120.40 128.72 1u38 s VAL 21 Ca 0.48 1.82 0.01 0.00 0.00 0.00 0.00 61.98 64.29 1u38 s VAL 21 Cb -0.10 -4.20 0.08 0.00 0.00 0.00 0.00 36.38 32.16 1u38 s VAL 21 CO 0.20 0.37 0.02 0.12 0.00 0.00 0.00 175.10 175.81 1u38 s PHE 22 N -0.18 2.34 -0.51 5.22 5.36 -1.26 -0.24 117.98 128.71 1u38 s PHE 22 Ca 0.41 -1.92 -0.11 0.00 -0.96 0.00 0.00 56.93 54.35 1u38 s PHE 22 Cb -0.22 -1.85 0.13 0.00 -0.34 0.00 0.00 43.02 40.74 1u38 s PHE 22 CO 0.26 -0.83 0.41 0.42 -1.46 0.00 0.00 175.22 174.02 1u38 s ILE 23 N 1.41 4.54 -0.45 3.12 -1.09 -0.62 -4.91 121.20 123.20 1u38 s ILE 23 Ca 0.03 -1.75 -0.22 0.00 -2.23 0.00 0.00 60.65 56.48 1u38 s ILE 23 Cb -0.18 -3.96 0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1u38 s ILE 23 CO -0.13 -0.82 0.72 -1.61 -1.23 0.00 0.00 174.94 171.88 1u38 s GLU 24 N 1.36 3.33 0.00 2.79 2.02 -1.26 -1.24 118.70 125.70 1u38 s GLU 24 Ca 0.06 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.78 1u38 s GLU 24 Cb -0.27 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1u38 s GLU 24 CO 0.00 -1.09 0.00 0.36 0.02 0.00 0.00 175.26 174.55 1u38 n LYS 25 N 6.53 0.71 -3.99 1.61 0.00 0.54 -4.96 118.16 118.60 1u38 n LYS 25 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.10 1u38 n LYS 25 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.47 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 -0.69 2.80 0.86 -1.58 1.11 -1.26 -4.19 119.66 116.70 1u38 s GLN 26 Ca 0.00 -1.19 -0.11 0.00 0.01 0.00 0.00 55.36 54.07 1u38 s GLN 26 Cb 0.00 -2.50 0.11 0.00 -1.01 0.00 0.00 33.01 29.62 1u38 s GLN 26 CO 0.00 0.26 1.15 0.15 0.01 0.00 0.00 175.29 176.86 1u38 s LYS 27 N -3.90 1.38 -2.10 2.91 1.02 -1.26 -2.48 119.74 115.31 1u38 s LYS 27 Ca 0.36 1.56 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1u38 s LYS 27 Cb -0.07 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1u38 s LYS 27 CO 0.25 -2.37 0.00 0.41 -0.92 0.00 0.00 175.35 172.73 1u38 n GLY 28 N 0.09 1.88 0.76 -3.33 0.00 -1.20 -4.79 105.19 98.60 1u38 n GLY 28 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1u38 n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u38 n GLU 29 N -2.20 1.20 0.00 1.61 4.07 -1.03 -5.01 120.64 119.27 1u38 n GLU 29 Ca -0.20 -2.94 0.00 0.00 -0.06 0.00 0.00 57.16 53.96 1u38 n GLU 29 Cb 0.68 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.81 1u38 n GLU 29 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1u38 n ILE 30 N -0.77 0.00 0.00 6.31 -5.35 -1.26 -4.50 119.36 113.79 1u38 n ILE 30 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1u38 n ILE 30 Cb 0.79 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 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 -0.51 7.28 7.94 -1.26 -4.83 117.00 125.61 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 0.56 3.30 -3.96 0.00 -1.26 -2.13 105.19 101.70 1u38 n GLY 32 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.34 0.07 -0.15 1.61 -7.23 -1.26 0.09 120.40 111.19 1u38 s VAL 33 Ca 0.00 -0.55 0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1u38 s VAL 33 Cb 0.00 -1.01 0.01 0.00 0.56 0.00 0.00 36.38 35.94 1u38 s VAL 33 CO 0.00 -0.30 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.59 1u38 s VAL 34 N -2.84 1.99 -0.05 1.32 1.01 0.25 -4.89 120.40 117.19 1u38 s VAL 34 Ca -0.03 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1u38 s VAL 34 Cb 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1u38 s VAL 34 CO -0.05 0.53 -0.08 0.27 0.00 0.00 0.00 175.10 175.78 1u38 s ILE 35 N 0.97 3.63 0.25 2.22 -4.36 -1.26 0.67 121.20 123.33 1u38 s ILE 35 Ca -0.04 -0.56 0.02 0.00 -0.26 0.00 0.00 60.65 59.81 1u38 s ILE 35 Cb -0.15 -2.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.02 1u38 s ILE 35 CO -0.05 0.56 0.06 0.68 0.24 0.00 0.00 174.94 176.43 1u38 s VAL 36 N -0.84 0.73 0.23 8.37 -7.23 0.25 -4.82 120.40 117.10 1u38 s VAL 36 Ca 0.13 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.98 1u38 s VAL 36 Cb -0.11 -2.54 -0.12 0.00 0.56 0.00 0.00 36.38 34.17 1u38 s VAL 36 CO 0.02 -0.12 1.62 -0.62 -0.31 0.00 0.00 175.10 175.69 1u38 n GLU 37 N -0.45 2.57 -2.22 4.82 1.02 -1.26 0.77 120.64 125.89 1u38 n GLU 37 Ca -0.02 0.92 -0.32 0.00 -0.02 0.00 0.00 57.16 57.72 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 0.79 5.57 0.00 1.62 1.04 -1.26 -4.65 113.70 116.82 1u38 s SER 38 Ca 0.71 -1.51 0.28 0.00 0.48 0.00 0.00 55.95 55.91 1u38 s SER 38 Cb -0.55 -2.58 1.04 0.00 0.10 0.00 0.00 66.02 64.04 1u38 s SER 38 CO 0.41 -2.44 1.77 0.61 0.98 0.00 0.00 173.24 174.56 1u38 n GLY 39 N 6.16 -1.27 0.00 7.32 0.00 -1.26 -4.59 105.19 111.55 1u38 n GLY 39 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.35 -0.91 -0.03 1.61 4.27 -1.26 -4.66 117.44 115.11 1u38 n TRP 40 Ca 0.09 0.00 0.24 0.00 -3.89 0.00 0.00 57.50 53.94 1u38 n TRP 40 Cb 0.32 0.00 0.69 0.00 -1.36 0.00 0.00 31.31 30.96 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 -0.15 0.00 -1.63 -1.67 0.00 -2.04 -3.45 103.07 94.14 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 -3.71 -1.89 -0.30 0.19 7.64 -1.26 -4.97 113.62 109.32 1u38 n SER 42 Ca 0.13 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.03 1u38 n SER 42 Cb 0.87 -0.47 0.16 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.96 -1.57 0.44 2.04 -1.93 -3.37 117.51 114.08 1u38 h ILE 43 Ca 0.00 -0.29 -0.26 0.00 1.00 0.00 0.00 64.86 65.31 1u38 h ILE 43 Cb 0.94 0.03 -0.26 0.00 -0.74 0.00 0.00 36.82 36.79 1u38 h ILE 43 CO 0.00 0.16 -0.61 -0.76 0.00 0.00 0.00 178.15 176.94 1u38 s LEU 44 N -10.25 -0.59 -0.52 1.44 1.02 -1.26 -5.11 118.68 103.41 1u38 s LEU 44 Ca -0.12 -1.42 -0.41 0.00 0.02 0.00 0.00 54.13 52.20 1u38 s LEU 44 Cb 0.19 1.09 -0.18 0.00 0.02 0.00 0.00 46.19 47.31 1u38 s LEU 44 CO 0.78 -0.20 2.21 -2.65 0.02 0.00 0.00 176.35 176.51 1u38 n PRO 45 N 4.10 0.23 0.00 1.29 -0.02 -1.26 -4.65 135.00 134.69 1u38 n PRO 45 Ca 0.13 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1u38 n PRO 45 Cb 0.50 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1u38 n PRO 45 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1u38 n THR 46 N 6.75 0.00 -3.75 3.45 5.66 -1.26 0.10 114.28 125.24 1u38 n THR 46 Ca 0.53 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.45 1u38 n THR 46 Cb 0.03 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.79 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 0.15 0.00 -0.05 1.08 -7.23 -1.26 -4.15 120.40 108.94 1u38 s VAL 47 Ca 0.00 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1u38 s VAL 47 Cb 0.00 -1.75 0.02 0.00 0.56 0.00 0.00 36.38 35.21 1u38 s VAL 47 CO 0.00 0.00 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.09 1u38 s ILE 48 N -3.86 0.72 -0.75 -0.62 1.01 0.23 -3.40 121.20 114.53 1u38 s ILE 48 Ca 0.09 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 1u38 s ILE 48 Cb -0.05 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1u38 s ILE 48 CO 0.02 0.26 1.94 -0.63 0.00 0.00 0.00 174.94 176.53 1u38 s ILE 49 N 0.79 3.37 -2.44 2.92 1.01 -0.54 -0.58 121.20 125.73 1u38 s ILE 49 Ca -0.12 -0.09 0.25 0.00 0.00 0.00 0.00 60.65 60.69 1u38 s ILE 49 Cb -0.15 -3.91 0.26 0.00 0.01 0.00 0.00 42.46 38.68 1u38 s ILE 49 CO 0.01 -0.86 1.41 0.00 0.00 0.00 0.00 174.94 175.50 1u38 n ALA 50 N 13.68 2.84 -3.50 9.38 0.00 0.21 -1.12 120.51 142.00 1u38 n ALA 50 Ca 0.31 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1u38 n ALA 50 Cb 0.49 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1u38 n ALA 50 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1u38 s ASN 51 N -2.19 -0.38 -0.20 0.00 0.01 -1.09 -4.94 114.94 106.15 1u38 s ASN 51 Ca 0.28 0.03 -0.15 0.00 -0.71 0.00 0.00 52.86 52.32 1u38 s ASN 51 Cb 0.20 0.40 0.06 0.00 0.41 0.00 0.00 41.25 42.31 1u38 s ASN 51 CO 0.41 -0.63 0.50 -0.32 -1.51 0.00 0.00 177.10 175.55 1u38 s MET 52 N -3.03 0.54 -0.64 -0.60 1.75 -1.26 0.84 119.30 116.89 1u38 s MET 52 Ca 0.04 0.81 -0.27 0.00 -1.25 0.00 0.00 55.69 55.02 1u38 s MET 52 Cb -0.01 0.16 -0.01 0.00 2.84 0.00 0.00 34.83 37.81 1u38 s MET 52 CO -0.08 -0.11 1.75 -1.64 -0.65 0.00 0.00 175.02 174.28 1u38 s MET 53 N 0.85 2.74 -0.89 4.11 -1.94 0.11 -4.88 119.30 119.40 1u38 s MET 53 Ca -0.05 0.42 -0.26 0.00 -1.71 0.00 0.00 55.69 54.10 1u38 s MET 53 Cb -0.05 -4.36 -0.20 0.00 2.01 0.00 0.00 34.83 32.22 1u38 s MET 53 CO -0.07 -2.63 1.94 0.72 -0.01 0.00 0.00 175.02 174.97 1u38 n HIS 54 N 12.11 1.47 0.00 -0.03 8.25 -1.26 -2.15 115.22 133.61 1u38 n HIS 54 Ca 0.17 -0.87 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1u38 n HIS 54 Cb 0.51 -2.17 0.00 0.00 1.12 0.00 0.00 29.99 29.46 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 5.60 0.65 0.05 -1.41 0.00 -1.26 -5.06 105.19 103.76 1u38 n GLY 55 Ca 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.01 0.16 -0.02 0.00 -0.91 -4.76 105.19 97.66 1u38 n GLY 56 Ca 0.00 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.03 1.61 0.13 -1.85 -2.63 132.00 129.24 1u38 h PRO 57 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1u38 h PRO 57 Cb 0.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 1u38 h PRO 57 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1u38 h ALA 58 N 2.20 0.04 0.09 -0.56 0.00 -1.71 -1.49 119.26 117.82 1u38 h ALA 58 Ca 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 1u38 h ALA 58 Cb 0.36 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1u38 h ALA 58 CO 0.00 -0.30 -1.18 1.49 0.00 0.00 0.00 179.25 179.26 1u38 h GLU 59 N -0.24 0.58 -0.38 0.00 4.22 -1.73 -3.23 114.58 113.80 1u38 h GLU 59 Ca 0.01 -0.75 0.04 0.00 0.08 0.00 0.00 59.36 58.74 1u38 h GLU 59 Cb 0.31 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1u38 h GLU 59 CO 0.00 1.33 0.17 0.87 -2.18 0.00 0.00 179.01 179.19 1u38 h LYS 60 N 0.28 0.34 0.43 1.92 1.57 -1.50 -3.15 116.57 116.45 1u38 h LYS 60 Ca -0.16 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1u38 h LYS 60 Cb 1.85 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 1u38 h LYS 60 CO 0.22 0.22 -0.31 0.66 -0.57 0.00 0.00 179.45 179.68 1u38 h SER 61 N 0.35 -0.80 0.00 0.86 4.64 -1.36 -3.47 113.55 113.76 1u38 h SER 61 Ca 0.17 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1u38 h SER 61 Cb 0.11 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1u38 h SER 61 CO -0.14 -0.45 0.00 0.61 -0.87 0.00 0.00 176.83 175.98 1u38 n GLY 62 N -1.37 0.15 0.14 -0.77 0.00 -1.19 -4.93 105.19 97.22 1u38 n GLY 62 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1u38 n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u38 h LYS 63 N 3.77 0.12 -5.46 1.61 1.79 -1.90 -3.43 116.57 113.06 1u38 h LYS 63 Ca 0.00 -0.09 -0.59 0.00 -2.18 0.00 0.00 60.65 57.79 1u38 h LYS 63 Cb 0.00 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.56 1u38 h LYS 63 CO 0.00 0.73 -0.35 -0.51 -1.08 0.00 0.00 179.45 178.24 1u38 s LEU 64 N -7.68 4.24 -0.01 2.94 1.43 -1.26 -4.96 118.68 113.38 1u38 s LEU 64 Ca -0.02 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1u38 s LEU 64 Cb 0.12 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1u38 s LEU 64 CO 0.79 0.12 0.01 0.20 0.23 0.00 0.00 176.35 177.70 1u38 s ASN 65 N 0.40 0.13 0.38 2.29 0.01 -1.26 -4.86 114.94 112.03 1u38 s ASN 65 Ca 0.15 0.01 -0.24 0.00 -0.71 0.00 0.00 52.86 52.07 1u38 s ASN 65 Cb -0.13 -0.07 -0.13 0.00 0.41 0.00 0.00 41.25 41.33 1u38 s ASN 65 CO 0.03 -0.07 0.62 -0.38 -1.51 0.00 0.00 177.10 175.79 1u38 n ILE 66 N 3.72 1.84 -0.40 0.60 2.08 -1.26 -2.92 119.36 123.02 1u38 n ILE 66 Ca -0.21 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.60 1u38 n ILE 66 Cb 0.54 -0.58 0.00 0.00 -0.75 0.00 0.00 39.64 38.85 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 1.71 0.79 3.76 7.39 0.00 -0.27 -5.00 105.19 113.55 1u38 n GLY 67 Ca 0.12 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.13 5.15 -0.21 1.61 1.01 -1.15 -4.91 116.67 116.04 1u38 s ASP 68 Ca 0.00 -0.40 -0.02 0.00 0.71 0.00 0.00 52.55 52.84 1u38 s ASP 68 Cb 0.00 -1.19 0.01 0.00 1.01 0.00 0.00 42.92 42.74 1u38 s ASP 68 CO 0.00 -0.02 -0.10 -1.10 0.21 0.00 0.00 175.17 174.16 1u38 s GLN 69 N -3.78 3.16 -0.38 8.23 -1.52 -0.95 -1.47 119.66 122.95 1u38 s GLN 69 Ca 0.32 -0.75 -0.21 0.00 -1.95 0.00 0.00 55.36 52.77 1u38 s GLN 69 Cb -0.07 -2.87 0.01 0.00 -0.22 0.00 0.00 33.01 29.86 1u38 s GLN 69 CO 0.23 -0.24 0.67 0.42 -0.25 0.00 0.00 175.29 176.12 1u38 s ILE 70 N 1.39 4.83 -0.01 1.08 1.01 -1.22 -0.14 121.20 128.14 1u38 s ILE 70 Ca 0.05 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.16 1u38 s ILE 70 Cb -0.14 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1u38 s ILE 70 CO -0.07 -0.43 0.42 0.24 0.00 0.00 0.00 174.94 175.10 1u38 h MET 71 N 8.60 -0.15 -4.79 2.79 2.86 -1.55 -3.38 114.93 119.32 1u38 h MET 71 Ca -0.26 0.01 -0.26 0.00 -2.06 0.00 0.00 59.70 57.13 1u38 h MET 71 Cb 1.10 0.03 -0.15 0.00 0.06 0.00 0.00 31.60 32.65 1u38 h MET 71 CO 0.87 -0.10 -0.70 -1.54 1.06 0.00 0.00 176.91 176.50 1u38 s SER 72 N -3.40 1.35 -0.26 1.22 1.04 -1.24 -1.38 113.70 111.03 1u38 s SER 72 Ca -0.02 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1u38 s SER 72 Cb 0.00 0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.24 1u38 s SER 72 CO 0.07 -0.43 -0.09 -0.63 0.98 0.00 0.00 173.24 173.14 1u38 s ILE 73 N -3.53 2.39 -0.53 -1.02 1.01 0.13 -1.77 121.20 117.87 1u38 s ILE 73 Ca 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.30 1u38 s ILE 73 Cb 0.04 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1u38 s ILE 73 CO -0.03 0.01 0.00 -0.46 0.00 0.00 0.00 174.94 174.47 1u38 n ASN 74 N 4.50 -2.33 0.00 3.58 0.23 0.33 -0.08 115.26 121.50 1u38 n ASN 74 Ca -0.15 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1u38 n ASN 74 Cb 0.43 -2.09 0.00 0.00 -2.08 0.00 0.00 39.78 36.04 1u38 n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u38 n GLY 75 N -0.59 0.51 3.55 4.83 0.00 -1.26 -5.02 105.19 107.21 1u38 n GLY 75 Ca -0.07 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.93 3.66 0.10 2.61 2.01 0.89 -4.99 115.64 118.99 1u38 s THR 76 Ca 0.00 0.37 -0.25 0.00 0.31 0.00 0.00 61.69 62.13 1u38 s THR 76 Cb 0.00 -4.75 -0.07 0.00 0.01 0.00 0.00 72.50 67.69 1u38 s THR 76 CO 0.00 -1.70 0.76 -0.44 -0.69 0.00 0.00 174.62 172.55 1u38 s SER 77 N 4.49 7.28 -0.09 3.53 0.01 -1.26 0.17 113.70 127.83 1u38 s SER 77 Ca 0.41 1.53 0.14 0.00 1.31 0.00 0.00 55.95 59.33 1u38 s SER 77 Cb -0.09 -2.47 0.29 0.00 0.21 0.00 0.00 66.02 63.96 1u38 s SER 77 CO 0.16 0.13 1.14 0.00 0.41 0.00 0.00 173.24 175.07 1u38 n LEU 78 N 2.16 1.63 -4.56 2.44 -0.00 -0.48 -4.96 117.00 113.23 1u38 n LEU 78 Ca -0.05 -2.60 -0.36 0.00 -0.00 0.00 0.00 56.01 53.00 1u38 n LEU 78 Cb 0.50 -0.27 -0.04 0.00 -0.00 0.00 0.00 43.42 43.61 1u38 n LEU 78 CO 0.46 0.75 1.40 -0.69 -0.00 0.00 0.00 177.39 179.31 1u38 s VAL 79 N -1.72 3.67 0.00 1.47 1.01 -1.25 -2.81 120.40 120.78 1u38 s VAL 79 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1u38 s VAL 79 Cb 0.26 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1u38 s VAL 79 CO -0.05 -1.50 0.00 0.61 0.00 0.00 0.00 175.10 174.17 1u38 n GLY 80 N 6.45 1.47 3.93 4.51 0.00 0.28 -4.88 105.19 116.94 1u38 n GLY 80 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 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 3.54 0.00 0.99 2.34 -1.12 -5.01 118.68 119.41 1u38 s LEU 81 Ca 0.00 0.59 -0.22 0.00 0.06 0.00 0.00 54.13 54.55 1u38 s LEU 81 Cb 0.00 -3.46 0.35 0.00 -0.56 0.00 0.00 46.19 42.51 1u38 s LEU 81 CO 0.00 -0.76 0.86 -0.81 -1.06 0.00 0.00 176.35 174.58 1u38 n PRO 82 N -2.26 -4.40 0.03 1.48 -0.04 -1.26 -4.82 135.00 123.72 1u38 n PRO 82 Ca 0.02 -1.43 -0.19 0.00 -0.04 0.00 0.00 63.50 61.86 1u38 n PRO 82 Cb 0.57 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.48 -0.84 1.53 5.85 -1.94 -3.09 115.31 117.30 1u38 h LEU 83 Ca -0.37 -0.87 0.13 0.00 0.84 0.00 0.00 57.88 57.61 1u38 h LEU 83 Cb 1.24 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 1u38 h LEU 83 CO 0.23 1.30 0.44 -1.28 -0.34 0.00 0.00 178.44 178.79 1u38 h SER 84 N -0.28 0.57 -0.17 1.25 0.87 -1.95 -0.73 113.55 113.11 1u38 h SER 84 Ca -0.11 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1u38 h SER 84 Cb 1.47 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 1u38 h SER 84 CO 0.13 0.27 0.06 0.74 -0.53 0.00 0.00 176.83 177.50 1u38 h THR 85 N 0.67 1.17 0.39 2.23 2.02 -1.94 -2.40 112.91 115.06 1u38 h THR 85 Ca 0.44 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1u38 h THR 85 Cb 0.56 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1u38 h THR 85 CO -0.33 0.17 -0.40 0.00 0.37 0.00 0.00 175.52 175.33 1u38 h GLN 87 N -0.81 0.65 -0.56 0.00 3.07 -1.19 0.75 115.11 117.01 1u38 h GLN 87 Ca -0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.64 1u38 h GLN 87 Cb 0.72 -0.15 -0.03 0.00 0.08 0.00 0.00 27.48 28.11 1u38 h GLN 87 CO -0.07 0.43 0.23 1.03 0.09 0.00 0.00 178.83 180.54 1u38 h SER 88 N 0.67 0.74 -0.08 0.06 0.87 -0.81 -1.35 113.55 113.64 1u38 h SER 88 Ca 0.61 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 61.10 1u38 h SER 88 Cb 1.08 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1u38 h SER 88 CO -0.43 0.67 0.00 0.40 -0.53 0.00 0.00 176.83 176.94 1u38 h ILE 89 N 0.81 0.95 0.02 2.23 1.08 0.21 -0.98 117.51 121.82 1u38 h ILE 89 Ca 0.19 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1u38 h ILE 89 Cb 0.16 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1u38 h ILE 89 CO -0.02 0.01 -0.01 0.40 -0.69 0.00 0.00 178.15 177.84 1u38 h ILE 90 N 0.04 1.31 -0.03 -0.67 2.04 -1.20 -2.97 117.51 116.03 1u38 h ILE 90 Ca 0.04 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.83 1u38 h ILE 90 Cb 0.04 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1u38 h ILE 90 CO -0.06 0.27 0.08 0.07 0.00 0.00 0.00 178.15 178.51 1u38 h LYS 91 N -0.50 0.00 -0.00 2.37 5.09 -1.24 -0.13 116.57 122.16 1u38 h LYS 91 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.57 1u38 h LYS 91 Cb 0.47 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.78 1u38 h LYS 91 CO 0.01 0.00 -0.76 0.78 -2.09 0.00 0.00 179.45 177.38 1u38 h GLY 92 N 0.00 0.03 -3.66 0.07 0.00 -1.02 -3.21 103.07 95.27 1u38 h GLY 92 Ca 0.01 -0.04 -0.54 0.00 0.00 0.00 0.00 47.33 46.77 1u38 h GLY 92 CO -0.00 0.04 0.46 1.47 0.00 0.00 0.00 176.54 178.51 1u38 n LEU 93 N -3.65 6.53 -0.15 3.11 -0.00 -0.07 -4.48 117.00 118.29 1u38 n LEU 93 Ca -0.01 -4.06 0.13 0.00 -0.00 0.00 0.00 56.01 52.08 1u38 n LEU 93 Cb 0.74 -0.81 0.45 0.00 -0.00 0.00 0.00 43.42 43.80 1u38 n LEU 93 CO 0.44 1.38 0.71 2.29 -0.00 0.00 0.00 177.39 182.22 1u38 n LYS 94 N -1.00 0.62 -1.09 1.47 -0.00 -1.17 -4.03 118.16 112.97 1u38 n LYS 94 Ca 0.55 -0.31 -0.24 0.00 -0.00 0.00 0.00 58.31 58.31 1u38 n LYS 94 Cb 1.07 -1.49 0.10 0.00 -0.00 0.00 0.00 35.03 34.71 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 -0.92 5.68 -4.37 -5.58 3.02 -1.26 -3.26 115.26 108.57 1u38 n ASN 95 Ca 0.12 -3.42 -0.20 0.00 -0.03 0.00 0.00 54.58 51.04 1u38 n ASN 95 Cb 0.32 -0.91 -0.10 0.00 -0.61 0.00 0.00 39.78 38.48 1u38 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u38 s GLN 96 N -2.90 1.59 0.00 3.52 -2.07 -1.26 -4.92 119.66 113.62 1u38 s GLN 96 Ca 0.49 -1.88 0.22 0.00 -1.82 0.00 0.00 55.36 52.37 1u38 s GLN 96 Cb 0.40 -0.63 -0.12 0.00 -1.09 0.00 0.00 33.01 31.58 1u38 s GLN 96 CO 0.03 -0.25 0.99 0.45 -1.32 0.00 0.00 175.29 175.19 1u38 n SER 97 N -0.66 1.20 -3.88 12.60 2.88 -1.26 -4.03 113.62 120.47 1u38 n SER 97 Ca -0.02 -1.07 -0.12 0.00 -1.33 0.00 0.00 58.87 56.33 1u38 n SER 97 Cb 0.66 0.82 -0.14 0.00 -0.75 0.00 0.00 64.21 64.80 1u38 n SER 97 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1u38 s ARG 98 N -2.87 0.04 -0.25 -1.46 3.52 -1.26 -0.34 118.95 116.33 1u38 s ARG 98 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 55.73 55.68 1u38 s ARG 98 Cb 0.17 -0.04 0.08 0.00 -1.56 0.00 0.00 34.95 33.59 1u38 s ARG 98 CO 0.79 0.01 0.03 0.08 -0.81 0.00 0.00 175.30 175.40 1u38 s VAL 99 N -0.02 1.01 -0.05 7.11 1.01 -0.37 -4.96 120.40 124.13 1u38 s VAL 99 Ca 0.00 -1.12 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 1u38 s VAL 99 Cb -0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1u38 s VAL 99 CO -0.00 -0.36 0.63 -0.75 0.00 0.00 0.00 175.10 174.62 1u38 s LYS 100 N 1.60 4.39 -0.09 2.72 2.20 -1.26 -1.58 119.74 127.72 1u38 s LYS 100 Ca 0.02 0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 56.36 1u38 s LYS 100 Cb -0.18 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1u38 s LYS 100 CO -0.13 0.19 0.13 -0.51 -0.36 0.00 0.00 175.35 174.66 1u38 s LEU 101 N 0.41 0.04 -0.94 5.43 1.43 0.67 0.12 118.68 125.84 1u38 s LEU 101 Ca 0.33 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 1u38 s LEU 101 Cb -0.18 0.09 0.13 0.00 0.03 0.00 0.00 46.19 46.27 1u38 s LEU 101 CO 0.17 -0.27 1.14 0.21 0.23 0.00 0.00 176.35 177.83 1u38 s ASN 102 N 2.24 6.64 0.36 2.29 3.04 -0.73 0.69 114.94 129.47 1u38 s ASN 102 Ca 0.04 -2.06 0.08 0.00 0.04 0.00 0.00 52.86 50.96 1u38 s ASN 102 Cb -0.13 -2.40 -0.04 0.00 -1.54 0.00 0.00 41.25 37.14 1u38 s ASN 102 CO -0.06 -1.06 0.16 0.27 -3.04 0.00 0.00 177.10 173.37 1u38 s ILE 103 N 2.70 2.88 -0.21 -5.21 -4.36 -0.82 -1.27 121.20 114.91 1u38 s ILE 103 Ca 0.33 -1.67 -0.05 0.00 -0.26 0.00 0.00 60.65 59.00 1u38 s ILE 103 Cb -0.05 -2.98 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 1u38 s ILE 103 CO -0.09 -0.14 -0.00 0.54 0.24 0.00 0.00 174.94 175.49 1u38 s VAL 104 N -2.46 3.85 -2.67 8.37 0.11 0.80 0.71 120.40 129.12 1u38 s VAL 104 Ca 0.39 -0.34 0.27 0.00 -2.93 0.00 0.00 61.98 59.37 1u38 s VAL 104 Cb -0.02 -2.75 0.43 0.00 -1.53 0.00 0.00 36.38 32.51 1u38 s VAL 104 CO 0.23 0.41 1.58 -1.14 -3.33 0.00 0.00 175.10 172.86