#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u38 n PHE 18 N 0.00 1.51 -3.63 4.31 3.01 -1.26 -0.76 117.46 120.64 1u38 n PHE 18 Ca 0.00 0.42 -0.03 0.00 1.01 0.00 0.00 57.45 58.84 1u38 n PHE 18 Cb 0.00 -2.20 -0.06 0.00 -0.01 0.00 0.00 39.48 37.21 1u38 n PHE 18 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1u38 s LYS 19 N -3.45 0.47 -0.01 -1.08 0.00 0.27 -4.84 119.74 111.10 1u38 s LYS 19 Ca 0.79 0.85 -0.30 0.00 0.00 0.00 0.00 55.97 57.31 1u38 s LYS 19 Cb -0.36 0.14 -0.06 0.00 0.00 0.00 0.00 37.83 37.54 1u38 s LYS 19 CO 0.44 -0.10 1.57 -0.51 0.00 0.00 0.00 175.35 176.74 1u38 s ASP 20 N 1.53 6.71 -0.34 0.03 1.01 -1.26 -1.88 116.67 122.47 1u38 s ASP 20 Ca -0.09 2.24 -0.09 0.00 0.71 0.00 0.00 52.55 55.32 1u38 s ASP 20 Cb -0.04 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1u38 s ASP 20 CO -0.17 -0.85 0.15 -0.69 0.21 0.00 0.00 175.17 173.82 1u38 s VAL 21 N 3.20 4.23 -0.30 -1.27 1.01 0.33 -4.93 120.40 122.67 1u38 s VAL 21 Ca 0.70 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1u38 s VAL 21 Cb -0.34 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1u38 s VAL 21 CO 0.29 -0.13 0.09 0.12 0.00 0.00 0.00 175.10 175.46 1u38 s PHE 22 N 1.50 3.15 -0.41 5.22 2.19 -1.25 -0.07 117.98 128.31 1u38 s PHE 22 Ca 0.01 -0.93 -0.02 0.00 0.33 0.00 0.00 56.93 56.33 1u38 s PHE 22 Cb -0.19 -2.27 0.11 0.00 -1.31 0.00 0.00 43.02 39.37 1u38 s PHE 22 CO 0.05 -0.56 0.20 0.42 1.83 0.00 0.00 175.22 177.15 1u38 s ILE 23 N 1.51 3.16 -0.37 3.12 -1.09 -0.13 -4.86 121.20 122.54 1u38 s ILE 23 Ca 0.03 -2.18 -0.29 0.00 -2.23 0.00 0.00 60.65 55.98 1u38 s ILE 23 Cb -0.17 -3.18 0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1u38 s ILE 23 CO 0.03 -0.69 1.31 -0.70 -1.23 0.00 0.00 174.94 173.66 1u38 s GLU 24 N 1.01 3.76 0.03 2.79 2.12 -1.26 -1.55 118.70 125.61 1u38 s GLU 24 Ca 0.09 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1u38 s GLU 24 Cb -0.22 -3.93 -0.00 0.00 0.26 0.00 0.00 34.13 30.23 1u38 s GLU 24 CO -0.05 -1.32 0.02 0.36 -0.54 0.00 0.00 175.26 173.73 1u38 n LYS 25 N 7.66 0.62 -4.39 4.30 2.85 -0.62 -4.92 118.16 123.66 1u38 n LYS 25 Ca 0.15 -0.29 -0.25 0.00 -1.05 0.00 0.00 58.31 56.88 1u38 n LYS 25 Cb 0.47 0.18 -0.09 0.00 -0.65 0.00 0.00 35.03 34.94 1u38 n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1u38 s GLN 26 N -2.13 1.86 0.53 -1.58 1.11 -1.26 -4.14 119.66 114.04 1u38 s GLN 26 Ca 0.02 -1.57 -0.22 0.00 0.01 0.00 0.00 55.36 53.60 1u38 s GLN 26 Cb 0.00 -1.94 -0.06 0.00 -1.01 0.00 0.00 33.01 30.01 1u38 s GLN 26 CO 0.02 0.37 1.28 1.63 0.01 0.00 0.00 175.29 178.59 1u38 n LYS 27 N -0.45 1.63 -1.14 2.91 4.01 -1.26 -2.32 118.16 121.54 1u38 n LYS 27 Ca -0.07 0.60 -0.05 0.00 -0.51 0.00 0.00 58.31 58.27 1u38 n LYS 27 Cb 0.58 -2.47 -0.02 0.00 -0.51 0.00 0.00 35.03 32.61 1u38 n LYS 27 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u38 n GLY 28 N 0.85 0.75 0.95 0.72 0.00 -1.24 -4.88 105.19 102.34 1u38 n GLY 28 Ca 0.10 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.69 0.84 0.00 1.61 4.71 -0.98 -5.03 120.64 119.11 1u38 n GLU 29 Ca -0.05 -2.63 0.00 0.00 -0.01 0.00 0.00 57.16 54.47 1u38 n GLU 29 Cb 0.18 -0.89 0.00 0.00 -1.01 0.00 0.00 31.44 29.72 1u38 n GLU 29 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1u38 n ILE 30 N -0.41 0.00 0.00 -3.67 -5.35 -1.26 -4.34 119.36 104.33 1u38 n ILE 30 Ca 0.13 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 1u38 n ILE 30 Cb 0.88 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 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 -1.09 7.28 7.94 -1.26 -4.83 117.00 125.04 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 0.69 3.26 -3.96 0.00 -1.26 -3.21 105.19 100.70 1u38 n GLY 32 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.73 0.09 -0.19 1.61 -7.23 -1.26 -0.23 120.40 110.46 1u38 s VAL 33 Ca 0.00 -0.70 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1u38 s VAL 33 Cb 0.00 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.97 1u38 s VAL 33 CO 0.00 -0.39 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.59 1u38 s VAL 34 N -2.80 1.70 0.01 1.32 1.01 0.19 -4.91 120.40 116.92 1u38 s VAL 34 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1u38 s VAL 34 Cb -0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1u38 s VAL 34 CO -0.05 0.27 0.08 0.27 0.00 0.00 0.00 175.10 175.68 1u38 s ILE 35 N 1.39 4.71 0.21 2.22 -4.36 -1.26 0.61 121.20 124.72 1u38 s ILE 35 Ca 0.01 -0.46 0.01 0.00 -0.26 0.00 0.00 60.65 59.94 1u38 s ILE 35 Cb -0.15 -3.17 -0.05 0.00 1.25 0.00 0.00 42.46 40.34 1u38 s ILE 35 CO -0.09 0.31 0.06 0.68 0.24 0.00 0.00 174.94 176.14 1u38 s VAL 36 N -1.23 0.51 0.19 8.37 -7.23 0.32 -4.83 120.40 116.50 1u38 s VAL 36 Ca 0.24 -1.98 -0.33 0.00 -1.81 0.00 0.00 61.98 58.10 1u38 s VAL 36 Cb -0.12 -2.36 -0.13 0.00 0.56 0.00 0.00 36.38 34.32 1u38 s VAL 36 CO 0.15 -0.23 1.57 -0.62 -0.31 0.00 0.00 175.10 175.66 1u38 n GLU 37 N -0.32 2.24 -2.28 4.82 1.02 -1.26 0.89 120.64 125.74 1u38 n GLU 37 Ca -0.03 0.81 -0.34 0.00 -0.02 0.00 0.00 57.16 57.58 1u38 n GLU 37 Cb 0.65 -2.57 -0.04 0.00 -0.02 0.00 0.00 31.44 29.46 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 0.80 5.78 0.00 1.62 1.04 -1.25 -4.63 113.70 117.06 1u38 s SER 38 Ca 0.75 -1.57 0.29 0.00 0.48 0.00 0.00 55.95 55.90 1u38 s SER 38 Cb -0.64 -2.58 1.25 0.00 0.10 0.00 0.00 66.02 64.16 1u38 s SER 38 CO 0.40 -2.23 1.89 0.61 0.98 0.00 0.00 173.24 174.89 1u38 n GLY 39 N 6.18 -1.20 0.00 7.32 0.00 -1.26 -4.58 105.19 111.65 1u38 n GLY 39 Ca 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.23 -0.99 -0.04 1.61 4.27 -1.26 -4.65 117.44 115.14 1u38 n TRP 40 Ca 0.12 0.00 0.25 0.00 -3.89 0.00 0.00 57.50 53.97 1u38 n TRP 40 Cb 0.29 0.00 0.68 0.00 -1.36 0.00 0.00 31.31 30.92 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 -0.23 0.00 -2.17 -1.67 0.00 -2.04 -3.45 103.07 93.51 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 -1.14 0.00 0.00 0.00 176.54 175.40 1u38 n SER 42 N -3.69 -2.00 -0.28 0.19 3.41 -1.26 -4.97 113.62 105.01 1u38 n SER 42 Ca 0.14 -0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.70 1u38 n SER 42 Cb 0.92 -0.50 0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1u38 n SER 42 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1u38 h ILE 43 N -0.00 1.22 -1.75 -1.33 2.04 -1.93 -3.37 117.51 112.39 1u38 h ILE 43 Ca -0.00 -0.52 -0.38 0.00 1.00 0.00 0.00 64.86 64.96 1u38 h ILE 43 Cb 1.00 0.17 -0.28 0.00 -0.74 0.00 0.00 36.82 36.97 1u38 h ILE 43 CO 0.00 0.24 -0.74 -0.76 0.00 0.00 0.00 178.15 176.89 1u38 s LEU 44 N -9.99 0.04 -0.77 1.44 1.02 -1.26 -5.09 118.68 104.08 1u38 s LEU 44 Ca -0.13 -2.32 -0.08 0.00 0.02 0.00 0.00 54.13 51.62 1u38 s LEU 44 Cb 0.15 0.65 -0.25 0.00 0.02 0.00 0.00 46.19 46.76 1u38 s LEU 44 CO 0.80 -0.13 1.68 -2.65 0.02 0.00 0.00 176.35 176.06 1u38 n PRO 45 N 3.09 0.00 0.00 1.29 -0.02 -1.26 -4.61 135.00 133.49 1u38 n PRO 45 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1u38 n PRO 45 Cb 0.51 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 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 4.33 0.00 -3.84 3.45 5.66 -1.26 0.10 114.28 122.72 1u38 n THR 46 Ca 0.52 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.43 1u38 n THR 46 Cb 0.10 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.85 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 0.64 0.01 -0.06 1.08 -7.23 -1.26 -3.94 120.40 109.65 1u38 s VAL 47 Ca 0.00 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 1u38 s VAL 47 Cb 0.00 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1u38 s VAL 47 CO 0.00 -0.05 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.03 1u38 s ILE 48 N -3.92 0.88 -0.87 -0.62 1.01 0.26 -3.40 121.20 114.52 1u38 s ILE 48 Ca 0.13 -0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 1u38 s ILE 48 Cb -0.02 -0.84 -0.07 0.00 0.01 0.00 0.00 42.46 41.54 1u38 s ILE 48 CO 0.03 0.30 2.04 -0.63 0.00 0.00 0.00 174.94 176.69 1u38 s ILE 49 N 0.89 3.36 -1.15 2.92 1.01 -0.75 -0.52 121.20 126.94 1u38 s ILE 49 Ca -0.11 -0.29 0.26 0.00 0.00 0.00 0.00 60.65 60.52 1u38 s ILE 49 Cb -0.15 -3.80 0.13 0.00 0.01 0.00 0.00 42.46 38.65 1u38 s ILE 49 CO 0.01 -0.75 1.58 0.00 0.00 0.00 0.00 174.94 175.78 1u38 n ALA 50 N 14.93 3.17 -3.44 9.38 0.00 0.20 -1.48 120.51 143.26 1u38 n ALA 50 Ca 0.41 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 1u38 n ALA 50 Cb 0.46 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.89 -0.51 -0.05 0.00 3.84 -0.82 -4.95 114.94 109.56 1u38 s ASN 51 Ca 0.15 0.01 -0.18 0.00 0.21 0.00 0.00 52.86 53.05 1u38 s ASN 51 Cb 0.18 0.54 0.04 0.00 -0.55 0.00 0.00 41.25 41.46 1u38 s ASN 51 CO 0.62 -0.87 0.40 -0.32 -2.79 0.00 0.00 177.10 174.15 1u38 s MET 52 N -3.53 0.71 0.63 0.43 -2.45 -1.26 0.54 119.30 114.38 1u38 s MET 52 Ca 0.02 0.04 0.33 0.00 -1.25 0.00 0.00 55.69 54.83 1u38 s MET 52 Cb -0.01 0.33 1.82 0.00 1.25 0.00 0.00 34.83 38.22 1u38 s MET 52 CO -0.12 -0.19 2.09 0.52 1.05 0.00 0.00 175.02 178.38 1u38 h MET 53 N 4.00 0.00 -5.49 4.11 2.86 -0.93 -3.46 114.93 116.03 1u38 h MET 53 Ca -0.29 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.02 1u38 h MET 53 Cb 1.17 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.98 1u38 h MET 53 CO 0.37 0.00 -0.70 0.72 1.06 0.00 0.00 176.91 178.35 1u38 n HIS 54 N -3.32 -2.26 0.00 -0.22 8.25 -1.26 -4.57 115.22 111.84 1u38 n HIS 54 Ca -0.00 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 1u38 n HIS 54 Cb 0.31 -4.90 0.00 0.00 1.12 0.00 0.00 29.99 26.52 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 -1.35 0.62 0.39 -1.41 0.00 -1.26 -5.00 105.19 97.18 1u38 n GLY 55 Ca -0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.55 0.37 -0.02 0.00 -1.26 -4.10 105.19 96.62 1u38 n GLY 56 Ca 0.00 -1.27 0.19 0.00 0.00 0.00 0.00 46.02 44.94 1u38 n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u38 h PRO 57 N 0.00 0.00 -0.02 1.61 0.11 -1.88 0.29 132.00 132.11 1u38 h PRO 57 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1u38 h PRO 57 Cb 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 1u38 h PRO 57 CO 0.03 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 177.82 1u38 h ALA 58 N 1.55 0.03 0.11 -0.75 0.00 -1.85 -1.93 119.26 116.41 1u38 h ALA 58 Ca 0.14 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 1u38 h ALA 58 Cb 0.86 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.67 1u38 h ALA 58 CO -0.00 -0.36 -1.23 1.49 0.00 0.00 0.00 179.25 179.15 1u38 h GLU 59 N -0.18 0.60 -0.52 0.00 4.22 -1.55 -2.75 114.58 114.40 1u38 h GLU 59 Ca 0.01 -0.79 0.09 0.00 0.08 0.00 0.00 59.36 58.75 1u38 h GLU 59 Cb 0.22 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1u38 h GLU 59 CO -0.00 1.36 0.11 0.87 -2.18 0.00 0.00 179.01 179.17 1u38 h LYS 60 N 0.27 0.24 0.26 1.92 1.57 -1.00 -3.02 116.57 116.81 1u38 h LYS 60 Ca -0.18 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1u38 h LYS 60 Cb 1.90 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.15 1u38 h LYS 60 CO 0.23 0.16 -0.12 1.03 -0.57 0.00 0.00 179.45 180.18 1u38 h SER 61 N 0.25 -0.30 0.00 0.86 0.87 -1.44 -3.48 113.55 110.31 1u38 h SER 61 Ca 0.26 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1u38 h SER 61 Cb 0.36 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1u38 h SER 61 CO -0.34 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 176.77 1u38 n GLY 62 N 0.44 2.32 0.32 5.77 0.00 -1.04 -4.92 105.19 108.08 1u38 n GLY 62 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 2.81 0.01 -5.52 1.61 1.79 -1.89 -3.40 116.57 111.98 1u38 h LYS 63 Ca 0.00 -0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 1u38 h LYS 63 Cb 0.00 -0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.52 1u38 h LYS 63 CO 0.00 0.01 -0.55 -0.51 -1.08 0.00 0.00 179.45 177.32 1u38 s LEU 64 N -8.92 3.95 -0.08 2.94 1.43 -1.26 -4.91 118.68 111.84 1u38 s LEU 64 Ca -0.05 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1u38 s LEU 64 Cb 0.18 -1.97 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1u38 s LEU 64 CO 0.70 0.28 0.17 0.20 0.23 0.00 0.00 176.35 177.93 1u38 s ASN 65 N -0.26 0.00 0.32 2.29 0.01 -1.26 -4.75 114.94 111.29 1u38 s ASN 65 Ca 0.09 0.35 -0.25 0.00 -0.71 0.00 0.00 52.86 52.34 1u38 s ASN 65 Cb -0.12 0.26 -0.15 0.00 0.41 0.00 0.00 41.25 41.65 1u38 s ASN 65 CO 0.01 -0.17 0.56 -0.38 -1.51 0.00 0.00 177.10 175.62 1u38 n ILE 66 N 4.42 1.72 -0.43 0.60 2.08 -1.26 -2.93 119.36 123.55 1u38 n ILE 66 Ca -0.22 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.59 1u38 n ILE 66 Cb 0.51 -0.38 0.00 0.00 -0.75 0.00 0.00 39.64 39.02 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 1.82 0.74 3.71 7.39 0.00 -0.55 -5.02 105.19 113.29 1u38 n GLY 67 Ca 0.13 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.36 4.60 -0.22 1.61 1.01 -1.15 -4.94 116.67 115.23 1u38 s ASP 68 Ca 0.00 -0.80 0.01 0.00 0.71 0.00 0.00 52.55 52.47 1u38 s ASP 68 Cb 0.00 -0.71 0.03 0.00 1.01 0.00 0.00 42.92 43.25 1u38 s ASP 68 CO 0.00 -0.27 -0.14 -1.10 0.21 0.00 0.00 175.17 173.86 1u38 s GLN 69 N -3.82 2.79 0.21 8.23 -1.52 -0.99 -1.82 119.66 122.74 1u38 s GLN 69 Ca 0.37 -0.98 -0.20 0.00 -1.95 0.00 0.00 55.36 52.60 1u38 s GLN 69 Cb -0.02 -2.76 -0.08 0.00 -0.22 0.00 0.00 33.01 29.93 1u38 s GLN 69 CO 0.22 -0.34 0.72 0.42 -0.25 0.00 0.00 175.29 176.06 1u38 s ILE 70 N 1.26 4.57 -0.00 1.08 1.01 -1.22 0.11 121.20 128.00 1u38 s ILE 70 Ca 0.01 1.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.94 1u38 s ILE 70 Cb -0.16 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1u38 s ILE 70 CO -0.09 0.25 -0.03 0.23 0.00 0.00 0.00 174.94 175.30 1u38 n MET 71 N 0.84 0.05 -5.13 2.79 2.81 -0.40 -4.07 117.12 114.01 1u38 n MET 71 Ca -0.03 0.02 -0.30 0.00 -1.81 0.00 0.00 57.70 55.58 1u38 n MET 71 Cb 0.51 -0.36 -0.17 0.00 -0.71 0.00 0.00 33.22 32.49 1u38 n MET 71 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1u38 s SER 72 N -4.94 2.85 -0.25 7.83 1.04 -1.23 0.16 113.70 119.15 1u38 s SER 72 Ca -0.03 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 1u38 s SER 72 Cb 0.00 -1.10 0.03 0.00 0.10 0.00 0.00 66.02 65.06 1u38 s SER 72 CO 0.04 0.17 -0.07 -0.63 0.98 0.00 0.00 173.24 173.74 1u38 s ILE 73 N 0.19 2.76 -1.91 -1.02 1.01 0.76 -1.39 121.20 121.61 1u38 s ILE 73 Ca -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1u38 s ILE 73 Cb -0.16 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1u38 s ILE 73 CO 0.06 0.15 0.00 0.59 0.00 0.00 0.00 174.94 175.74 1u38 n ASN 74 N 4.63 -5.30 0.00 3.58 3.02 0.88 -1.54 115.26 120.53 1u38 n ASN 74 Ca -0.16 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1u38 n ASN 74 Cb 0.46 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.03 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 -0.60 2.44 3.64 7.41 0.00 -1.26 -5.05 105.19 111.77 1u38 n GLY 75 Ca -0.21 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.15 3.66 0.55 2.61 2.01 -0.59 -4.97 115.64 117.77 1u38 s THR 76 Ca 0.00 0.77 -0.16 0.00 0.31 0.00 0.00 61.69 62.61 1u38 s THR 76 Cb 0.00 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1u38 s THR 76 CO 0.00 -0.18 1.03 -0.55 -0.69 0.00 0.00 174.62 174.22 1u38 s SER 77 N 3.87 6.16 0.00 3.53 0.15 -1.26 -0.17 113.70 125.98 1u38 s SER 77 Ca 0.72 1.73 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1u38 s SER 77 Cb -0.28 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1u38 s SER 77 CO 0.29 -0.91 0.00 0.18 1.20 0.00 0.00 173.24 174.00 1u38 n LEU 78 N -1.76 2.11 -4.54 3.45 4.77 0.42 -4.90 117.00 116.55 1u38 n LEU 78 Ca 0.08 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 1u38 n LEU 78 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1u38 n LEU 78 CO 0.46 0.35 1.58 0.55 -1.33 0.00 0.00 177.39 179.00 1u38 n VAL 79 N -2.30 -0.01 0.00 4.08 3.14 -1.24 -0.80 118.33 121.20 1u38 n VAL 79 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1u38 n VAL 79 Cb 0.46 -1.40 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 1u38 n VAL 79 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1u38 n GLY 80 N 6.35 1.13 3.89 7.55 0.00 0.28 -4.90 105.19 119.49 1u38 n GLY 80 Ca 0.53 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 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 3.96 0.00 0.99 2.34 0.02 -5.05 118.68 120.94 1u38 s LEU 81 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 54.13 54.02 1u38 s LEU 81 Cb 0.00 -2.52 0.00 0.00 -0.56 0.00 0.00 46.19 43.11 1u38 s LEU 81 CO 0.00 -0.11 0.00 -0.81 -1.06 0.00 0.00 176.35 174.37 1u38 n PRO 82 N -1.31 -1.27 -0.02 1.48 -0.04 -1.26 -4.67 135.00 127.91 1u38 n PRO 82 Ca -0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 1u38 n PRO 82 Cb 0.58 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 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 0.20 -0.87 1.53 6.46 -1.94 -2.90 115.31 117.79 1u38 h LEU 83 Ca 0.00 -0.89 0.13 0.00 -0.12 0.00 0.00 57.88 57.00 1u38 h LEU 83 Cb 0.00 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.78 1u38 h LEU 83 CO 0.00 1.07 0.48 0.28 -0.62 0.00 0.00 178.44 179.65 1u38 h SER 84 N -0.64 0.63 -0.05 1.25 0.02 -1.97 0.17 113.55 112.95 1u38 h SER 84 Ca -0.05 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1u38 h SER 84 Cb 1.15 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1u38 h SER 84 CO 0.06 0.30 0.01 0.74 -1.14 0.00 0.00 176.83 176.79 1u38 h THR 85 N 0.71 1.21 0.29 -2.27 2.02 -1.93 -2.48 112.91 110.46 1u38 h THR 85 Ca 0.46 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1u38 h THR 85 Cb 0.58 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1u38 h THR 85 CO -0.32 0.17 -0.34 0.00 0.37 0.00 0.00 175.52 175.40 1u38 h GLN 87 N -0.67 0.23 -0.76 0.00 4.20 -1.04 0.52 115.11 117.58 1u38 h GLN 87 Ca -0.01 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.74 1u38 h GLN 87 Cb 0.63 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1u38 h GLN 87 CO -0.09 0.15 0.50 1.03 -0.67 0.00 0.00 178.83 179.75 1u38 h SER 88 N 0.24 0.74 -0.11 1.46 0.87 -0.94 0.22 113.55 116.04 1u38 h SER 88 Ca 0.41 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.99 1u38 h SER 88 Cb 0.71 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1u38 h SER 88 CO -0.53 0.49 -0.02 0.40 -0.53 0.00 0.00 176.83 176.64 1u38 h ILE 89 N 0.85 0.90 -0.19 2.23 1.08 0.12 -1.06 117.51 121.44 1u38 h ILE 89 Ca 0.32 -0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.67 1u38 h ILE 89 Cb 0.18 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1u38 h ILE 89 CO -0.11 0.00 -0.34 0.40 -0.69 0.00 0.00 178.15 177.41 1u38 h ILE 90 N 0.01 1.34 -0.24 -0.67 2.04 -0.93 -2.97 117.51 116.08 1u38 h ILE 90 Ca 0.05 -1.57 0.07 0.00 1.00 0.00 0.00 64.86 64.41 1u38 h ILE 90 Cb 0.07 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1u38 h ILE 90 CO -0.10 0.48 0.31 0.11 0.00 0.00 0.00 178.15 178.94 1u38 h LYS 91 N 0.22 0.00 -0.12 2.37 1.57 -0.38 -1.01 116.57 119.23 1u38 h LYS 91 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1u38 h LYS 91 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1u38 h LYS 91 CO 0.08 0.00 -0.28 0.78 -0.57 0.00 0.00 179.45 179.46 1u38 h GLY 92 N 0.00 0.43 -5.25 3.86 0.00 -1.02 -3.31 103.07 97.79 1u38 h GLY 92 Ca 0.12 -0.54 -0.67 0.00 0.00 0.00 0.00 47.33 46.24 1u38 h GLY 92 CO -0.00 0.48 2.69 1.47 0.00 0.00 0.00 176.54 181.17 1u38 n LEU 93 N -4.43 8.09 0.01 3.11 -0.00 -0.38 -4.47 117.00 118.92 1u38 n LEU 93 Ca -0.07 -4.56 -0.10 0.00 -0.00 0.00 0.00 56.01 51.28 1u38 n LEU 93 Cb 0.46 -1.43 -0.14 0.00 -0.00 0.00 0.00 43.42 42.32 1u38 n LEU 93 CO 0.42 2.03 -0.38 0.50 -0.00 0.00 0.00 177.39 179.96 1u38 h LYS 94 N 4.56 0.05 -2.35 1.47 3.64 -1.67 -3.39 116.57 118.87 1u38 h LYS 94 Ca 0.72 -0.08 -0.66 0.00 -1.27 0.00 0.00 60.65 59.36 1u38 h LYS 94 Cb 0.38 0.03 -0.38 0.00 -0.41 0.00 0.00 32.23 31.86 1u38 h LYS 94 CO 1.49 0.72 -0.14 0.09 -2.27 0.00 0.00 179.45 179.34 1u38 n ASN 95 N -3.19 4.96 -0.00 4.20 3.02 -1.26 -3.65 115.26 119.34 1u38 n ASN 95 Ca -0.14 -3.55 -0.00 0.00 -0.03 0.00 0.00 54.58 50.85 1u38 n ASN 95 Cb 1.03 -0.81 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1u38 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u38 n GLN 96 N 0.46 3.24 -0.95 3.52 1.13 -1.26 -4.96 117.38 118.55 1u38 n GLN 96 Ca 0.32 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 1u38 n GLN 96 Cb 0.37 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.69 1u38 n GLN 96 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1u38 n SER 97 N -1.96 -2.16 -3.61 1.08 2.88 -1.26 -4.95 113.62 103.64 1u38 n SER 97 Ca -0.02 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.49 1u38 n SER 97 Cb 0.46 -0.93 -0.06 0.00 -0.75 0.00 0.00 64.21 62.93 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 -0.36 0.51 -0.15 -1.46 3.52 -1.26 -1.59 118.95 118.16 1u38 s ARG 98 Ca 0.00 0.96 0.01 0.00 -0.13 0.00 0.00 55.73 56.57 1u38 s ARG 98 Cb 0.00 0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1u38 s ARG 98 CO 0.00 -0.12 -0.17 0.54 -0.81 0.00 0.00 175.30 174.74 1u38 s VAL 99 N 1.78 2.55 -0.36 7.11 0.11 -0.59 -4.95 120.40 126.06 1u38 s VAL 99 Ca -0.08 -0.81 -0.07 0.00 -2.93 0.00 0.00 61.98 58.08 1u38 s VAL 99 Cb -0.05 -2.06 0.05 0.00 -1.53 0.00 0.00 36.38 32.78 1u38 s VAL 99 CO -0.17 0.52 0.14 -0.54 -3.33 0.00 0.00 175.10 171.72 1u38 s LYS 100 N 0.75 2.62 -0.15 1.54 1.02 -1.25 -0.96 119.74 123.30 1u38 s LYS 100 Ca -0.07 -1.23 -0.00 0.00 0.02 0.00 0.00 55.97 54.69 1u38 s LYS 100 Cb -0.16 -3.54 0.03 0.00 -0.52 0.00 0.00 37.83 33.65 1u38 s LYS 100 CO 0.01 -0.73 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.11 1u38 s LEU 101 N 1.41 1.62 -0.93 3.17 1.43 0.90 -0.09 118.68 126.20 1u38 s LEU 101 Ca -0.00 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.34 1u38 s LEU 101 Cb -0.20 -1.01 0.11 0.00 0.03 0.00 0.00 46.19 45.12 1u38 s LEU 101 CO 0.03 -0.13 1.19 0.20 0.23 0.00 0.00 176.35 177.87 1u38 s ASN 102 N 1.58 6.56 0.44 2.29 0.02 -0.49 0.12 114.94 125.47 1u38 s ASN 102 Ca 0.03 -1.82 0.07 0.00 -1.02 0.00 0.00 52.86 50.11 1u38 s ASN 102 Cb -0.14 -2.44 -0.02 0.00 0.02 0.00 0.00 41.25 38.67 1u38 s ASN 102 CO -0.09 -1.20 0.34 0.27 0.02 0.00 0.00 177.10 176.44 1u38 s ILE 103 N 3.33 2.41 -0.11 0.60 -4.36 -0.79 -1.27 121.20 121.00 1u38 s ILE 103 Ca 0.35 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 59.30 1u38 s ILE 103 Cb -0.05 -2.86 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 1u38 s ILE 103 CO -0.08 0.00 -0.16 0.54 0.24 0.00 0.00 174.94 175.48 1u38 s VAL 104 N -2.55 2.84 -2.28 8.37 0.11 0.12 0.96 120.40 127.96 1u38 s VAL 104 Ca 0.44 -0.75 0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1u38 s VAL 104 Cb -0.01 -2.16 0.71 0.00 -1.53 0.00 0.00 36.38 33.39 1u38 s VAL 104 CO 0.26 0.54 1.96 -1.14 -3.33 0.00 0.00 175.10 173.39