#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 2.37 -0.29 4.31 0.40 -1.26 0.32 117.98 123.83 1u38 s PHE 18 Ca 0.00 1.56 -0.14 0.00 -0.60 0.00 0.00 56.93 57.75 1u38 s PHE 18 Cb 0.00 -3.35 0.12 0.00 0.51 0.00 0.00 43.02 40.30 1u38 s PHE 18 CO 0.00 -2.11 0.77 -1.59 0.70 0.00 0.00 175.22 172.99 1u38 s LYS 19 N -3.82 0.56 -0.52 0.44 0.00 0.31 -4.81 119.74 111.92 1u38 s LYS 19 Ca 0.72 1.13 -0.28 0.00 0.00 0.00 0.00 55.97 57.54 1u38 s LYS 19 Cb -0.26 0.37 0.01 0.00 0.00 0.00 0.00 37.83 37.96 1u38 s LYS 19 CO 0.40 -0.14 1.43 0.34 0.00 0.00 0.00 175.35 177.37 1u38 s ASP 20 N 2.04 6.16 0.01 0.03 -1.08 -1.26 -1.88 116.67 120.69 1u38 s ASP 20 Ca -0.08 0.45 -0.24 0.00 -0.52 0.00 0.00 52.55 52.16 1u38 s ASP 20 Cb -0.07 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.80 1u38 s ASP 20 CO -0.18 -1.65 0.73 -0.69 0.52 0.00 0.00 175.17 173.90 1u38 s VAL 21 N 5.97 4.83 -0.27 1.11 1.01 0.37 -4.91 120.40 128.52 1u38 s VAL 21 Ca 0.55 1.55 -0.00 0.00 0.00 0.00 0.00 61.98 64.08 1u38 s VAL 21 Cb -0.12 -4.08 0.08 0.00 0.00 0.00 0.00 36.38 32.27 1u38 s VAL 21 CO 0.27 0.34 0.04 0.12 0.00 0.00 0.00 175.10 175.87 1u38 s PHE 22 N 0.15 2.06 -0.50 5.22 2.19 -1.24 0.29 117.98 126.16 1u38 s PHE 22 Ca 0.38 -1.77 -0.10 0.00 0.33 0.00 0.00 56.93 55.76 1u38 s PHE 22 Cb -0.20 -1.73 0.13 0.00 -1.31 0.00 0.00 43.02 39.91 1u38 s PHE 22 CO 0.21 -0.82 0.38 0.42 1.83 0.00 0.00 175.22 177.25 1u38 s ILE 23 N 1.50 4.37 -0.49 3.12 -1.09 -0.13 -4.90 121.20 123.58 1u38 s ILE 23 Ca 0.04 -1.80 -0.27 0.00 -2.23 0.00 0.00 60.65 56.39 1u38 s ILE 23 Cb -0.18 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1u38 s ILE 23 CO -0.15 -0.80 1.03 -1.61 -1.23 0.00 0.00 174.94 172.18 1u38 s GLU 24 N 1.32 3.58 0.06 2.79 8.01 -1.26 -1.11 118.70 132.08 1u38 s GLU 24 Ca 0.06 0.27 0.01 0.00 0.01 0.00 0.00 54.97 55.32 1u38 s GLU 24 Cb -0.26 -3.94 -0.00 0.00 -4.31 0.00 0.00 34.13 25.62 1u38 s GLU 24 CO -0.01 -1.35 0.02 0.36 0.01 0.00 0.00 175.26 174.30 1u38 n LYS 25 N 7.56 0.76 -4.16 1.61 2.85 0.25 -4.97 118.16 122.06 1u38 n LYS 25 Ca 0.08 -0.51 -0.25 0.00 -1.05 0.00 0.00 58.31 56.59 1u38 n LYS 25 Cb 0.49 0.30 -0.06 0.00 -0.65 0.00 0.00 35.03 35.10 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 -2.22 2.64 0.77 -1.58 1.11 -1.26 -4.19 119.66 114.93 1u38 s GLN 26 Ca 0.03 -1.07 -0.14 0.00 0.01 0.00 0.00 55.36 54.19 1u38 s GLN 26 Cb 0.00 -2.46 0.06 0.00 -1.01 0.00 0.00 33.01 29.60 1u38 s GLN 26 CO 0.02 0.44 1.23 1.63 0.01 0.00 0.00 175.29 178.62 1u38 n LYS 27 N -0.51 0.41 -1.08 2.91 5.02 -1.16 -2.56 118.16 121.20 1u38 n LYS 27 Ca -0.08 0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.39 1u38 n LYS 27 Cb 0.56 -2.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.09 1u38 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u38 n GLY 28 N 0.64 0.53 1.13 0.72 0.00 -1.16 -4.85 105.19 102.20 1u38 n GLY 28 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.75 1.65 0.00 1.61 1.02 -1.06 -5.02 120.64 117.09 1u38 n GLU 29 Ca -0.03 -3.23 0.00 0.00 -0.02 0.00 0.00 57.16 53.89 1u38 n GLU 29 Cb 0.24 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.72 0.00 0.00 -3.67 -5.35 -1.26 -4.35 119.36 104.01 1u38 n ILE 30 Ca 0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.68 1u38 n ILE 30 Cb 0.83 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 -1.11 7.28 7.94 -1.26 -4.85 117.00 124.99 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 0.87 3.27 -3.96 0.00 -1.26 -2.13 105.19 101.98 1u38 n GLY 32 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.74 0.09 -0.15 1.61 -7.23 -1.26 -1.63 120.40 109.09 1u38 s VAL 33 Ca 0.00 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1u38 s VAL 33 Cb 0.00 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.91 1u38 s VAL 33 CO 0.00 -0.39 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.55 1u38 s VAL 34 N -3.02 1.66 0.09 1.32 1.01 0.30 -4.90 120.40 116.86 1u38 s VAL 34 Ca -0.02 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1u38 s VAL 34 Cb 0.01 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1u38 s VAL 34 CO -0.06 0.47 -0.07 0.27 0.00 0.00 0.00 175.10 175.71 1u38 s ILE 35 N 1.32 3.55 0.20 2.22 -4.36 -1.26 0.85 121.20 123.73 1u38 s ILE 35 Ca 0.02 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 1u38 s ILE 35 Cb -0.13 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.88 1u38 s ILE 35 CO -0.09 0.15 0.09 0.68 0.24 0.00 0.00 174.94 176.01 1u38 s VAL 36 N -1.21 0.32 0.20 8.37 -7.23 0.49 -4.83 120.40 116.52 1u38 s VAL 36 Ca 0.22 -1.98 -0.32 0.00 -1.81 0.00 0.00 61.98 58.08 1u38 s VAL 36 Cb -0.11 -2.41 -0.13 0.00 0.56 0.00 0.00 36.38 34.29 1u38 s VAL 36 CO 0.14 -0.15 1.64 -0.62 -0.31 0.00 0.00 175.10 175.80 1u38 n GLU 37 N -0.31 2.52 -2.14 4.82 1.02 -1.26 0.86 120.64 126.15 1u38 n GLU 37 Ca -0.01 0.91 -0.30 0.00 -0.02 0.00 0.00 57.16 57.73 1u38 n GLU 37 Cb 0.65 -2.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.31 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 0.96 5.33 0.00 1.62 1.04 -1.26 -4.65 113.70 116.74 1u38 s SER 38 Ca 0.75 -1.48 0.29 0.00 0.48 0.00 0.00 55.95 55.98 1u38 s SER 38 Cb -0.57 -2.58 1.20 0.00 0.10 0.00 0.00 66.02 64.17 1u38 s SER 38 CO 0.37 -2.71 1.85 0.61 0.98 0.00 0.00 173.24 174.34 1u38 n GLY 39 N 6.10 -1.00 0.00 7.32 0.00 -1.26 -4.63 105.19 111.71 1u38 n GLY 39 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.03 -1.00 0.30 1.61 4.27 -1.26 -4.67 117.44 115.66 1u38 n TRP 40 Ca 0.14 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.88 1u38 n TRP 40 Cb 0.28 0.00 0.72 0.00 -1.36 0.00 0.00 31.31 30.95 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 -0.20 0.00 0.00 -1.67 0.00 -2.04 -3.46 103.07 95.70 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 -2.70 0.00 0.00 0.19 7.64 -1.26 -4.98 113.62 112.51 1u38 n SER 42 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1u38 n SER 42 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1u38 n SER 42 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1u38 n ILE 43 N 0.00 0.00 -3.44 0.44 5.41 -1.26 -3.48 119.36 117.03 1u38 n ILE 43 Ca 0.00 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.48 1u38 n ILE 43 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 1u38 n ILE 43 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1u38 s LEU 44 N 0.00 1.57 -0.83 1.39 1.43 -1.26 -5.08 118.68 115.90 1u38 s LEU 44 Ca 0.00 -2.98 -0.22 0.00 -1.03 0.00 0.00 54.13 49.90 1u38 s LEU 44 Cb 0.00 -0.51 -0.20 0.00 0.03 0.00 0.00 46.19 45.51 1u38 s LEU 44 CO 0.00 -0.19 2.40 -2.65 0.23 0.00 0.00 176.35 176.14 1u38 n PRO 45 N 2.97 0.40 0.00 1.29 -0.02 -1.23 -4.54 135.00 133.87 1u38 n PRO 45 Ca 0.26 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1u38 n PRO 45 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 7.46 0.00 -3.76 3.45 5.66 -1.26 -0.16 114.28 125.67 1u38 n THR 46 Ca 0.54 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.46 1u38 n THR 46 Cb 0.30 -0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.00 0.00 -0.05 1.08 -7.23 -1.26 -4.02 120.40 108.93 1u38 s VAL 47 Ca 0.00 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1u38 s VAL 47 Cb 0.00 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1u38 s VAL 47 CO 0.00 0.00 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.13 1u38 s ILE 48 N -3.85 0.45 -0.83 -0.62 1.01 0.25 -3.58 121.20 114.04 1u38 s ILE 48 Ca 0.09 -0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 1u38 s ILE 48 Cb -0.05 -0.52 -0.08 0.00 0.01 0.00 0.00 42.46 41.82 1u38 s ILE 48 CO 0.02 0.23 2.11 -0.63 0.00 0.00 0.00 174.94 176.67 1u38 s ILE 49 N 1.22 3.28 -1.17 2.92 1.01 -0.76 -0.38 121.20 127.32 1u38 s ILE 49 Ca -0.06 -0.19 0.26 0.00 0.00 0.00 0.00 60.65 60.66 1u38 s ILE 49 Cb -0.14 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.84 1u38 s ILE 49 CO -0.02 -0.60 1.58 0.00 0.00 0.00 0.00 174.94 175.91 1u38 n ALA 50 N 15.54 3.17 -3.53 9.38 0.00 0.25 -1.80 120.51 143.52 1u38 n ALA 50 Ca 0.41 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 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 -0.80 0.00 0.00 0.00 177.50 176.70 1u38 s ASN 51 N -2.87 -0.41 -0.19 0.00 0.01 -0.76 -4.96 114.94 105.75 1u38 s ASN 51 Ca 0.15 -0.10 -0.14 0.00 -0.71 0.00 0.00 52.86 52.06 1u38 s ASN 51 Cb 0.18 0.51 0.06 0.00 0.41 0.00 0.00 41.25 42.41 1u38 s ASN 51 CO 0.62 -0.86 0.49 -0.32 -1.51 0.00 0.00 177.10 175.52 1u38 s MET 52 N -3.46 0.52 0.59 -0.60 -2.45 -1.26 0.11 119.30 112.75 1u38 s MET 52 Ca 0.05 0.81 0.29 0.00 -1.25 0.00 0.00 55.69 55.59 1u38 s MET 52 Cb -0.01 0.13 1.43 0.00 1.25 0.00 0.00 34.83 37.63 1u38 s MET 52 CO -0.08 -0.12 1.83 0.52 1.05 0.00 0.00 175.02 178.23 1u38 h MET 53 N 6.35 0.00 -5.70 4.11 2.86 -1.66 -3.46 114.93 117.43 1u38 h MET 53 Ca -0.32 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.00 1u38 h MET 53 Cb 1.19 0.00 0.16 0.00 0.06 0.00 0.00 31.60 33.00 1u38 h MET 53 CO 0.23 0.00 -0.85 0.72 1.06 0.00 0.00 176.91 178.07 1u38 n HIS 54 N -3.70 -2.24 0.00 -0.22 8.25 -1.26 -4.71 115.22 111.34 1u38 n HIS 54 Ca 0.11 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 1u38 n HIS 54 Cb 0.78 -4.27 0.00 0.00 1.12 0.00 0.00 29.99 27.63 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 -1.33 0.24 0.00 -1.41 0.00 -1.26 -5.00 105.19 96.43 1u38 n GLY 55 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.60 0.25 -0.02 0.00 -1.26 -4.54 105.19 97.03 1u38 n GLY 56 Ca 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.12 1.61 0.13 -1.84 -2.04 132.00 129.74 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 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1u38 h PRO 57 CO 0.00 0.12 0.05 0.00 -0.23 0.00 0.00 178.00 177.94 1u38 h ALA 58 N 1.88 0.15 0.06 -0.56 0.00 -1.72 -1.35 119.26 117.73 1u38 h ALA 58 Ca -0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1u38 h ALA 58 Cb 0.55 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.31 1u38 h ALA 58 CO 0.02 -0.26 -1.13 1.49 0.00 0.00 0.00 179.25 179.37 1u38 h GLU 59 N 0.03 0.57 -0.08 0.00 4.22 -1.82 -3.18 114.58 114.33 1u38 h GLU 59 Ca 0.04 -0.70 0.02 0.00 0.08 0.00 0.00 59.36 58.80 1u38 h GLU 59 Cb 0.17 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1u38 h GLU 59 CO -0.00 1.29 0.06 0.87 -2.18 0.00 0.00 179.01 179.05 1u38 h LYS 60 N 0.28 0.00 0.06 1.92 1.57 -1.33 -3.18 116.57 115.90 1u38 h LYS 60 Ca -0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1u38 h LYS 60 Cb 1.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.10 1u38 h LYS 60 CO 0.21 0.00 -0.03 0.77 -0.57 0.00 0.00 179.45 179.83 1u38 h SER 61 N 0.00 -0.06 0.00 0.86 0.02 -1.25 -3.49 113.55 109.62 1u38 h SER 61 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1u38 h SER 61 Cb 0.15 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1u38 h SER 61 CO -0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1u38 n GLY 62 N 0.95 1.59 0.28 -3.77 0.00 -1.20 -4.92 105.19 98.12 1u38 n GLY 62 Ca -0.01 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 -5.26 1.61 -0.00 -1.91 -3.40 116.57 107.61 1u38 h LYS 63 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 60.65 60.04 1u38 h LYS 63 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 32.23 32.10 1u38 h LYS 63 CO 0.00 0.02 -0.40 -0.51 -0.00 0.00 0.00 179.45 178.57 1u38 s LEU 64 N -8.18 4.16 -0.06 7.07 1.43 -1.26 -5.00 118.68 116.84 1u38 s LEU 64 Ca -0.05 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1u38 s LEU 64 Cb 0.16 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1u38 s LEU 64 CO 0.60 0.05 0.15 0.20 0.23 0.00 0.00 176.35 177.58 1u38 s ASN 65 N 0.86 -0.15 0.42 2.29 0.01 -1.26 -4.78 114.94 112.33 1u38 s ASN 65 Ca 0.12 0.30 -0.22 0.00 -0.71 0.00 0.00 52.86 52.35 1u38 s ASN 65 Cb -0.13 0.27 -0.13 0.00 0.41 0.00 0.00 41.25 41.67 1u38 s ASN 65 CO 0.04 -0.08 0.52 -0.38 -1.51 0.00 0.00 177.10 175.69 1u38 n ILE 66 N 3.36 1.71 -0.44 0.60 2.08 -1.26 -2.99 119.36 122.41 1u38 n ILE 66 Ca -0.16 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.65 1u38 n ILE 66 Cb 0.57 -0.51 0.00 0.00 -0.75 0.00 0.00 39.64 38.95 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 0.76 3.90 7.39 0.00 -0.75 -5.03 105.19 113.28 1u38 n GLY 67 Ca 0.11 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.18 5.67 -0.28 1.61 1.01 -1.16 -4.93 116.67 116.41 1u38 s ASP 68 Ca 0.00 -0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.02 1u38 s ASP 68 Cb 0.00 -1.28 0.07 0.00 1.01 0.00 0.00 42.92 42.72 1u38 s ASP 68 CO 0.00 -0.25 -0.04 -1.10 0.21 0.00 0.00 175.17 173.99 1u38 s GLN 69 N -3.99 1.84 0.24 8.23 -1.52 -0.91 -1.83 119.66 121.72 1u38 s GLN 69 Ca 0.39 -1.45 -0.30 0.00 -1.95 0.00 0.00 55.36 52.05 1u38 s GLN 69 Cb -0.08 -2.90 -0.09 0.00 -0.22 0.00 0.00 33.01 29.72 1u38 s GLN 69 CO 0.28 -0.71 0.98 0.42 -0.25 0.00 0.00 175.29 176.00 1u38 s ILE 70 N 1.11 3.96 -0.02 1.08 1.01 -1.23 -0.56 121.20 126.55 1u38 s ILE 70 Ca -0.01 1.96 -0.02 0.00 0.00 0.00 0.00 60.65 62.57 1u38 s ILE 70 Cb -0.19 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 1u38 s ILE 70 CO -0.07 0.46 -0.04 0.23 0.00 0.00 0.00 174.94 175.52 1u38 n MET 71 N 1.50 0.05 -4.95 2.79 2.81 0.25 -4.02 117.12 115.55 1u38 n MET 71 Ca -0.02 0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.63 1u38 n MET 71 Cb 0.47 -0.50 -0.15 0.00 -0.71 0.00 0.00 33.22 32.32 1u38 n MET 71 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1u38 s SER 72 N -4.45 2.44 -0.28 7.83 0.15 -1.22 0.12 113.70 118.30 1u38 s SER 72 Ca -0.03 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.23 1u38 s SER 72 Cb 0.00 -0.26 0.06 0.00 -1.71 0.00 0.00 66.02 64.11 1u38 s SER 72 CO 0.04 0.24 -0.06 -0.63 1.20 0.00 0.00 173.24 174.04 1u38 s ILE 73 N -0.54 2.55 -1.88 6.45 1.01 0.49 -0.92 121.20 128.35 1u38 s ILE 73 Ca 0.08 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1u38 s ILE 73 Cb -0.08 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1u38 s ILE 73 CO -0.00 -0.08 0.00 0.59 0.00 0.00 0.00 174.94 175.45 1u38 n ASN 74 N 4.52 -5.55 0.00 3.58 3.02 0.87 -1.69 115.26 120.01 1u38 n ASN 74 Ca -0.13 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1u38 n ASN 74 Cb 0.43 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 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 -0.74 2.23 3.60 7.41 0.00 -1.26 -5.05 105.19 111.38 1u38 n GLY 75 Ca -0.22 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 3.47 0.44 2.61 2.01 -0.68 -4.97 115.64 117.36 1u38 s THR 76 Ca 0.00 0.48 -0.23 0.00 0.31 0.00 0.00 61.69 62.25 1u38 s THR 76 Cb 0.00 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 1u38 s THR 76 CO 0.00 -0.40 1.06 -0.94 -0.69 0.00 0.00 174.62 173.65 1u38 s SER 77 N 6.10 6.53 -0.01 3.53 1.04 -1.26 -0.38 113.70 129.25 1u38 s SER 77 Ca 0.80 2.03 0.04 0.00 0.48 0.00 0.00 55.95 59.31 1u38 s SER 77 Cb -0.23 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.25 1u38 s SER 77 CO 0.34 -0.65 0.08 0.18 0.98 0.00 0.00 173.24 174.17 1u38 n LEU 78 N -0.44 0.00 -4.56 2.42 4.77 0.31 -4.89 117.00 114.61 1u38 n LEU 78 Ca 0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 1u38 n LEU 78 Cb 0.50 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1u38 n LEU 78 CO 0.43 0.02 1.86 -0.69 -1.33 0.00 0.00 177.39 177.69 1u38 s VAL 79 N -2.27 3.12 0.00 4.08 1.01 -1.25 -2.04 120.40 123.06 1u38 s VAL 79 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1u38 s VAL 79 Cb 0.03 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1u38 s VAL 79 CO 0.18 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1u38 n GLY 80 N 5.85 0.90 3.94 4.51 0.00 0.77 -4.98 105.19 116.18 1u38 n GLY 80 Ca 0.31 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 4.00 0.00 0.99 2.34 -0.86 -5.06 118.68 120.09 1u38 s LEU 81 Ca 0.00 0.49 -0.10 0.00 0.06 0.00 0.00 54.13 54.58 1u38 s LEU 81 Cb 0.00 -3.35 0.15 0.00 -0.56 0.00 0.00 46.19 42.43 1u38 s LEU 81 CO 0.00 -0.29 0.43 -0.81 -1.06 0.00 0.00 176.35 174.62 1u38 n PRO 82 N -1.72 -2.62 0.04 1.48 -0.04 -1.26 -4.75 135.00 126.14 1u38 n PRO 82 Ca -0.04 -0.71 -0.20 0.00 -0.04 0.00 0.00 63.50 62.51 1u38 n PRO 82 Cb 0.56 -0.78 -0.13 0.00 -0.04 0.00 0.00 33.50 33.11 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 0.59 -0.90 1.53 5.85 -1.94 -3.06 115.31 117.38 1u38 h LEU 83 Ca -0.18 -0.85 0.13 0.00 0.84 0.00 0.00 57.88 57.83 1u38 h LEU 83 Cb 0.57 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1u38 h LEU 83 CO 0.11 1.38 0.52 0.28 -0.34 0.00 0.00 178.44 180.39 1u38 h SER 84 N -0.12 0.70 0.04 1.25 0.02 -1.97 -0.03 113.55 113.43 1u38 h SER 84 Ca -0.13 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1u38 h SER 84 Cb 1.58 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1u38 h SER 84 CO 0.16 0.33 -0.02 0.74 -1.14 0.00 0.00 176.83 176.90 1u38 h THR 85 N 0.77 1.13 0.35 -2.27 2.02 -1.93 -2.29 112.91 110.70 1u38 h THR 85 Ca 0.47 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1u38 h THR 85 Cb 0.58 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1u38 h THR 85 CO -0.32 0.14 -0.38 0.00 0.37 0.00 0.00 175.52 175.33 1u38 h GLN 87 N -0.77 0.64 -0.73 0.00 3.07 -1.08 0.69 115.11 116.94 1u38 h GLN 87 Ca -0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 1u38 h GLN 87 Cb 0.70 -0.14 -0.03 0.00 0.08 0.00 0.00 27.48 28.08 1u38 h GLN 87 CO -0.09 0.43 0.38 1.03 0.09 0.00 0.00 178.83 180.67 1u38 h SER 88 N 0.66 0.92 -0.06 0.06 0.87 -0.71 -1.00 113.55 114.28 1u38 h SER 88 Ca 0.60 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 61.09 1u38 h SER 88 Cb 1.07 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1u38 h SER 88 CO -0.40 0.75 -0.00 0.40 -0.53 0.00 0.00 176.83 177.05 1u38 h ILE 89 N 1.02 0.95 0.02 2.23 1.08 0.19 -0.69 117.51 122.32 1u38 h ILE 89 Ca 0.26 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.72 1u38 h ILE 89 Cb 0.05 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1u38 h ILE 89 CO -0.04 0.00 -0.01 0.40 -0.69 0.00 0.00 178.15 177.81 1u38 h ILE 90 N 0.02 1.32 -0.03 -0.67 2.04 -1.20 -2.95 117.51 116.04 1u38 h ILE 90 Ca 0.03 -1.07 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 -0.05 0.27 0.07 0.07 0.00 0.00 0.00 178.15 178.51 1u38 h LYS 91 N -0.50 0.00 -0.28 2.37 5.09 -1.17 -1.34 116.57 120.73 1u38 h LYS 91 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.62 1u38 h LYS 91 Cb 0.47 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.80 1u38 h LYS 91 CO 0.01 0.00 -0.29 0.78 -2.09 0.00 0.00 179.45 177.85 1u38 h GLY 92 N 0.00 0.75 -4.83 0.07 0.00 -0.95 -3.22 103.07 94.90 1u38 h GLY 92 Ca 0.01 -0.78 -0.58 0.00 0.00 0.00 0.00 47.33 45.99 1u38 h GLY 92 CO -0.00 0.70 0.84 1.47 0.00 0.00 0.00 176.54 179.56 1u38 n LEU 93 N -4.27 6.88 0.12 3.11 -0.00 -0.51 -4.42 117.00 117.92 1u38 n LEU 93 Ca -0.04 -4.32 0.10 0.00 -0.00 0.00 0.00 56.01 51.75 1u38 n LEU 93 Cb 0.47 -1.24 0.02 0.00 -0.00 0.00 0.00 43.42 42.67 1u38 n LEU 93 CO 0.45 1.81 0.14 0.50 -0.00 0.00 0.00 177.39 180.28 1u38 h LYS 94 N 3.34 0.00 -1.92 1.47 3.11 -1.64 -3.37 116.57 117.56 1u38 h LYS 94 Ca 0.47 0.00 -0.76 0.00 -2.81 0.00 0.00 60.65 57.55 1u38 h LYS 94 Cb 0.57 0.00 -0.27 0.00 -1.00 0.00 0.00 32.23 31.53 1u38 h LYS 94 CO 1.04 0.04 1.04 0.09 -2.81 0.00 0.00 179.45 178.86 1u38 n ASN 95 N -2.79 7.54 -3.94 4.20 4.13 -1.26 -2.99 115.26 120.15 1u38 n ASN 95 Ca -0.00 -3.83 -0.26 0.00 1.68 0.00 0.00 54.58 52.17 1u38 n ASN 95 Cb 0.58 -1.07 -0.07 0.00 -1.54 0.00 0.00 39.78 37.69 1u38 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u38 n GLN 96 N -0.55 0.64 0.00 3.52 10.64 -1.26 -4.94 117.38 125.44 1u38 n GLN 96 Ca 0.55 -3.36 0.00 0.00 -1.83 0.00 0.00 57.00 52.36 1u38 n GLN 96 Cb 0.27 1.63 0.00 0.00 -0.86 0.00 0.00 30.24 31.27 1u38 n GLN 96 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1u38 n SER 97 N -1.49 0.50 -3.78 2.61 7.64 -1.26 -2.97 113.62 114.87 1u38 n SER 97 Ca -0.09 -0.77 -0.13 0.00 1.01 0.00 0.00 58.87 58.89 1u38 n SER 97 Cb 0.59 0.31 -0.13 0.00 -1.01 0.00 0.00 64.21 63.97 1u38 n SER 97 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1u38 s ARG 98 N -0.31 0.15 -0.31 1.43 6.06 -1.26 -0.58 118.95 124.12 1u38 s ARG 98 Ca 0.00 0.32 0.03 0.00 -2.50 0.00 0.00 55.73 53.58 1u38 s ARG 98 Cb 0.00 -0.05 0.08 0.00 0.06 0.00 0.00 34.95 35.04 1u38 s ARG 98 CO 0.00 -0.10 -0.01 0.08 -2.50 0.00 0.00 175.30 172.77 1u38 s VAL 99 N 0.69 2.32 -0.63 7.11 1.01 -0.27 -4.95 120.40 125.69 1u38 s VAL 99 Ca -0.05 -1.98 -0.17 0.00 0.00 0.00 0.00 61.98 59.78 1u38 s VAL 99 Cb -0.07 -2.54 0.13 0.00 0.00 0.00 0.00 36.38 33.90 1u38 s VAL 99 CO -0.04 -0.34 0.66 -0.75 0.00 0.00 0.00 175.10 174.64 1u38 s LYS 100 N 1.02 3.14 0.18 2.72 2.20 -1.26 -0.96 119.74 126.78 1u38 s LYS 100 Ca 0.02 -1.69 0.07 0.00 -0.36 0.00 0.00 55.97 54.01 1u38 s LYS 100 Cb -0.20 -4.34 -0.04 0.00 -1.51 0.00 0.00 37.83 31.74 1u38 s LYS 100 CO -0.06 -1.43 -0.00 -0.51 -0.36 0.00 0.00 175.35 172.99 1u38 s LEU 101 N 1.85 3.31 -0.49 5.43 1.43 0.15 -0.09 118.68 130.26 1u38 s LEU 101 Ca 0.10 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1u38 s LEU 101 Cb -0.23 -1.95 0.13 0.00 0.03 0.00 0.00 46.19 44.16 1u38 s LEU 101 CO 0.02 0.08 0.23 0.20 0.23 0.00 0.00 176.35 177.11 1u38 s ASN 102 N -2.99 4.44 0.45 2.29 0.02 -0.10 0.14 114.94 119.20 1u38 s ASN 102 Ca 0.28 -2.85 0.06 0.00 -1.02 0.00 0.00 52.86 49.33 1u38 s ASN 102 Cb -0.09 -1.65 -0.03 0.00 0.02 0.00 0.00 41.25 39.50 1u38 s ASN 102 CO 0.19 -0.27 0.21 0.27 0.02 0.00 0.00 177.10 177.52 1u38 s ILE 103 N -0.07 2.06 -0.13 0.60 -4.36 -0.79 0.84 121.20 119.36 1u38 s ILE 103 Ca 0.16 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 1u38 s ILE 103 Cb -0.24 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 40.74 1u38 s ILE 103 CO -0.02 0.00 -0.20 -0.69 0.24 0.00 0.00 174.94 174.27 1u38 s VAL 104 N -2.66 1.91 -2.00 8.37 1.01 0.27 0.12 120.40 127.41 1u38 s VAL 104 Ca 0.36 -0.88 0.27 0.00 0.00 0.00 0.00 61.98 61.73 1u38 s VAL 104 Cb 0.02 -1.70 0.77 0.00 0.00 0.00 0.00 36.38 35.47 1u38 s VAL 104 CO 0.20 0.52 1.97 -1.14 0.00 0.00 0.00 175.10 176.65