#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 2.11 -0.29 4.31 0.08 -1.26 -0.57 117.98 122.37 1u38 s PHE 18 Ca 0.00 1.58 -0.13 0.00 0.12 0.00 0.00 56.93 58.50 1u38 s PHE 18 Cb 0.00 -3.49 0.11 0.00 -0.57 0.00 0.00 43.02 39.07 1u38 s PHE 18 CO 0.00 -2.56 0.69 -1.59 -0.10 0.00 0.00 175.22 171.66 1u38 s LYS 19 N -3.79 0.62 -0.54 0.44 0.00 0.33 -4.82 119.74 111.98 1u38 s LYS 19 Ca 0.75 1.31 -0.27 0.00 0.00 0.00 0.00 55.97 57.76 1u38 s LYS 19 Cb -0.30 0.53 -0.02 0.00 0.00 0.00 0.00 37.83 38.04 1u38 s LYS 19 CO 0.43 -0.17 1.87 -0.51 0.00 0.00 0.00 175.35 176.97 1u38 s ASP 20 N 2.31 5.37 -0.40 0.03 1.11 -1.26 -2.11 116.67 121.72 1u38 s ASP 20 Ca -0.08 0.60 -0.23 0.00 0.18 0.00 0.00 52.55 53.02 1u38 s ASP 20 Cb -0.09 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.39 1u38 s ASP 20 CO -0.19 -2.25 0.77 -0.69 1.18 0.00 0.00 175.17 173.99 1u38 s VAL 21 N 8.76 4.70 -0.32 -1.27 1.01 0.35 -4.87 120.40 128.76 1u38 s VAL 21 Ca 0.72 0.64 -0.09 0.00 0.00 0.00 0.00 61.98 63.25 1u38 s VAL 21 Cb -0.15 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1u38 s VAL 21 CO 0.24 -0.56 0.13 0.12 0.00 0.00 0.00 175.10 175.03 1u38 s PHE 22 N 3.17 3.19 -0.43 5.22 2.19 -1.26 -0.21 117.98 129.85 1u38 s PHE 22 Ca 0.30 -0.89 -0.05 0.00 0.33 0.00 0.00 56.93 56.62 1u38 s PHE 22 Cb -0.13 -2.33 0.11 0.00 -1.31 0.00 0.00 43.02 39.37 1u38 s PHE 22 CO 0.20 -0.57 0.25 0.42 1.83 0.00 0.00 175.22 177.34 1u38 s ILE 23 N 1.54 3.55 -0.13 3.12 -1.09 -0.13 -4.94 121.20 123.11 1u38 s ILE 23 Ca 0.03 -2.00 -0.28 0.00 -2.23 0.00 0.00 60.65 56.17 1u38 s ILE 23 Cb -0.18 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1u38 s ILE 23 CO 0.05 -0.72 0.93 -1.61 -1.23 0.00 0.00 174.94 172.36 1u38 s GLU 24 N 1.18 4.37 0.08 2.79 2.02 -1.26 -1.10 118.70 126.78 1u38 s GLU 24 Ca 0.08 1.23 -0.02 0.00 0.02 0.00 0.00 54.97 56.28 1u38 s GLU 24 Cb -0.24 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.45 1u38 s GLU 24 CO -0.03 -0.32 0.15 0.36 0.02 0.00 0.00 175.26 175.43 1u38 n LYS 25 N 5.12 0.22 -4.01 1.61 -0.00 -0.90 -4.93 118.16 115.27 1u38 n LYS 25 Ca 0.07 -0.50 -0.27 0.00 -0.00 0.00 0.00 58.31 57.61 1u38 n LYS 25 Cb 0.49 0.58 -0.03 0.00 -0.00 0.00 0.00 35.03 36.07 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 -2.06 2.26 0.66 -1.58 -1.52 -1.26 -4.07 119.66 112.09 1u38 s GLN 26 Ca 0.04 -2.01 -0.13 0.00 -1.95 0.00 0.00 55.36 51.30 1u38 s GLN 26 Cb -0.01 -2.03 -0.00 0.00 -0.22 0.00 0.00 33.01 30.75 1u38 s GLN 26 CO 0.03 -0.49 1.07 0.15 -0.25 0.00 0.00 175.29 175.80 1u38 s LYS 27 N -4.17 2.96 -0.11 2.91 1.02 -1.10 -3.34 119.74 117.91 1u38 s LYS 27 Ca 0.32 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.47 1u38 s LYS 27 Cb -0.01 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1u38 s LYS 27 CO 0.19 -1.10 0.00 0.41 -0.92 0.00 0.00 175.35 173.94 1u38 n GLY 28 N -1.22 0.36 1.19 -3.33 0.00 -1.21 -4.84 105.19 96.15 1u38 n GLY 28 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.27 1.80 0.00 1.61 1.02 -1.21 -5.01 120.64 117.58 1u38 n GLU 29 Ca -0.01 -3.31 0.00 0.00 -0.02 0.00 0.00 57.16 53.82 1u38 n GLU 29 Cb 0.25 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.75 0.00 0.00 -3.67 -5.35 -1.26 -4.48 119.36 103.86 1u38 n ILE 30 Ca 0.22 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.70 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 -0.50 7.28 7.94 -1.26 -4.85 117.00 125.61 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 0.46 3.34 -3.96 0.00 -1.26 -2.47 105.19 101.30 1u38 n GLY 32 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.33 0.05 -0.11 1.61 -7.23 -1.26 0.40 120.40 111.52 1u38 s VAL 33 Ca 0.00 -0.43 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 1u38 s VAL 33 Cb 0.00 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 1u38 s VAL 33 CO 0.00 -0.24 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.65 1u38 s VAL 34 N -2.75 2.27 0.01 1.32 1.01 0.28 -4.89 120.40 117.66 1u38 s VAL 34 Ca -0.04 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1u38 s VAL 34 Cb -0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1u38 s VAL 34 CO -0.04 0.55 -0.26 0.27 0.00 0.00 0.00 175.10 175.62 1u38 s ILE 35 N 0.45 2.14 0.14 2.22 -4.36 -1.26 -0.73 121.20 119.80 1u38 s ILE 35 Ca -0.15 -1.21 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 1u38 s ILE 35 Cb -0.17 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 1u38 s ILE 35 CO 0.06 0.49 -0.00 0.68 0.24 0.00 0.00 174.94 176.41 1u38 s VAL 36 N -0.70 0.53 0.20 8.37 -7.23 -0.26 -4.82 120.40 116.49 1u38 s VAL 36 Ca 0.11 -1.94 -0.32 0.00 -1.81 0.00 0.00 61.98 58.02 1u38 s VAL 36 Cb -0.10 -1.97 -0.15 0.00 0.56 0.00 0.00 36.38 34.73 1u38 s VAL 36 CO 0.00 -0.60 1.25 -0.62 -0.31 0.00 0.00 175.10 174.83 1u38 n GLU 37 N -0.14 1.51 -2.48 4.82 1.02 -1.26 0.10 120.64 124.21 1u38 n GLU 37 Ca -0.08 0.54 -0.40 0.00 -0.02 0.00 0.00 57.16 57.20 1u38 n GLU 37 Cb 0.63 -2.09 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 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 0.09 6.42 0.00 1.62 1.04 -1.26 -4.57 113.70 117.04 1u38 s SER 38 Ca 0.71 -1.95 0.28 0.00 0.48 0.00 0.00 55.95 55.47 1u38 s SER 38 Cb -0.77 -2.58 1.33 0.00 0.10 0.00 0.00 66.02 64.11 1u38 s SER 38 CO 0.52 -1.59 1.95 0.61 0.98 0.00 0.00 173.24 175.70 1u38 n GLY 39 N 5.99 -1.34 0.00 7.32 0.00 -1.26 -4.50 105.19 111.39 1u38 n GLY 39 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.38 -0.91 -0.01 1.61 4.27 -1.26 -4.65 117.44 115.10 1u38 n TRP 40 Ca 0.10 0.00 0.23 0.00 -3.89 0.00 0.00 57.50 53.95 1u38 n TRP 40 Cb 0.27 0.00 0.68 0.00 -1.36 0.00 0.00 31.31 30.90 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 -0.31 -1.67 0.00 -2.02 -3.44 103.07 95.49 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 -3.65 -1.17 -0.33 0.19 7.64 -1.26 -4.95 113.62 110.09 1u38 n SER 42 Ca 0.12 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.18 1u38 n SER 42 Cb 0.87 -0.43 0.38 0.00 -1.01 0.00 0.00 64.21 64.02 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 0.45 -2.15 0.44 2.04 -1.93 -3.32 117.51 113.05 1u38 h ILE 43 Ca 0.00 -0.16 -0.36 0.00 1.00 0.00 0.00 64.86 65.34 1u38 h ILE 43 Cb 0.86 -0.05 -0.33 0.00 -0.74 0.00 0.00 36.82 36.56 1u38 h ILE 43 CO 0.00 0.08 -0.67 -0.76 0.00 0.00 0.00 178.15 176.81 1u38 s LEU 44 N -10.42 -0.11 -0.80 1.44 1.43 -1.26 -5.09 118.68 103.88 1u38 s LEU 44 Ca -0.11 -1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 51.71 1u38 s LEU 44 Cb 0.27 0.44 -0.17 0.00 0.03 0.00 0.00 46.19 46.76 1u38 s LEU 44 CO 0.79 -0.36 2.38 -0.81 0.23 0.00 0.00 176.35 178.58 1u38 n PRO 45 N 4.99 0.50 0.00 1.29 -0.04 -1.25 -4.54 135.00 135.95 1u38 n PRO 45 Ca 0.02 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 1u38 n PRO 45 Cb 0.45 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 8.14 0.00 -3.74 0.52 5.66 -1.26 -0.04 114.28 123.56 1u38 n THR 46 Ca 0.50 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.42 1u38 n THR 46 Cb 0.38 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.14 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 0.17 0.00 -0.06 1.08 -7.23 -1.26 -4.09 120.40 109.01 1u38 s VAL 47 Ca 0.00 -0.71 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 1u38 s VAL 47 Cb 0.00 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.23 1u38 s VAL 47 CO 0.00 0.00 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.04 1u38 s ILE 48 N -3.85 1.12 -0.95 -0.62 1.01 0.29 -3.38 121.20 114.82 1u38 s ILE 48 Ca 0.08 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 1u38 s ILE 48 Cb -0.04 -1.02 -0.06 0.00 0.01 0.00 0.00 42.46 41.34 1u38 s ILE 48 CO 0.01 0.35 1.97 -0.63 0.00 0.00 0.00 174.94 176.64 1u38 s ILE 49 N 0.62 3.44 -0.80 2.92 1.01 -0.72 -1.11 121.20 126.55 1u38 s ILE 49 Ca -0.14 -0.44 0.26 0.00 0.00 0.00 0.00 60.65 60.33 1u38 s ILE 49 Cb -0.15 -4.05 0.15 0.00 0.01 0.00 0.00 42.46 38.42 1u38 s ILE 49 CO 0.03 -0.90 1.59 0.00 0.00 0.00 0.00 174.94 175.67 1u38 n ALA 50 N 14.36 2.73 -3.42 9.38 0.00 0.09 -1.94 120.51 141.70 1u38 n ALA 50 Ca 0.41 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.56 1u38 n ALA 50 Cb 0.47 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.85 -0.55 -0.12 0.00 0.01 -1.14 -4.97 114.94 104.32 1u38 s ASN 51 Ca 0.10 -0.03 -0.08 0.00 -0.71 0.00 0.00 52.86 52.15 1u38 s ASN 51 Cb 0.15 0.60 0.04 0.00 0.41 0.00 0.00 41.25 42.45 1u38 s ASN 51 CO 0.64 -0.98 0.29 -0.32 -1.51 0.00 0.00 177.10 175.22 1u38 s MET 52 N -3.76 0.28 -1.09 -0.60 -2.45 -1.26 0.10 119.30 110.53 1u38 s MET 52 Ca 0.01 0.51 -0.23 0.00 -1.25 0.00 0.00 55.69 54.74 1u38 s MET 52 Cb -0.01 0.01 -0.06 0.00 1.25 0.00 0.00 34.83 36.01 1u38 s MET 52 CO -0.12 -0.11 1.92 1.41 1.05 0.00 0.00 175.02 179.16 1u38 s MET 53 N 0.83 2.61 -0.85 4.11 1.75 0.16 -4.87 119.30 123.04 1u38 s MET 53 Ca -0.06 -0.91 -0.22 0.00 -1.25 0.00 0.00 55.69 53.25 1u38 s MET 53 Cb -0.07 -5.20 -0.19 0.00 2.84 0.00 0.00 34.83 32.22 1u38 s MET 53 CO -0.06 -3.67 2.16 1.58 -0.65 0.00 0.00 175.02 174.39 1u38 n HIS 54 N 13.85 0.85 0.00 4.11 -0.00 -1.26 -1.71 115.22 131.06 1u38 n HIS 54 Ca 0.43 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1u38 n HIS 54 Cb 0.47 -2.23 0.00 0.00 -0.12 0.00 0.00 29.99 28.11 1u38 n HIS 54 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1u38 n GLY 55 N 6.24 0.34 0.00 1.57 0.00 -1.26 -5.06 105.19 107.02 1u38 n GLY 55 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.27 0.18 -0.02 0.00 -0.69 -4.85 105.19 99.53 1u38 n GLY 56 Ca 0.00 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.05 1.61 0.13 -1.85 -2.69 132.00 129.15 1u38 h PRO 57 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.02 0.00 -0.23 0.00 0.00 178.00 177.79 1u38 h ALA 58 N 2.17 0.06 0.08 -0.56 0.00 -1.77 0.11 119.26 119.35 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 0.37 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u38 h ALA 58 CO 0.00 -0.34 -1.14 1.49 0.00 0.00 0.00 179.25 179.26 1u38 h GLU 59 N -0.11 0.45 -0.67 0.00 4.57 -1.78 -3.30 114.58 113.74 1u38 h GLU 59 Ca 0.02 -0.60 -0.05 0.00 -1.18 0.00 0.00 59.36 57.55 1u38 h GLU 59 Cb 0.19 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1u38 h GLU 59 CO -0.00 1.24 0.23 0.87 -1.18 0.00 0.00 179.01 180.17 1u38 h LYS 60 N 0.20 1.02 0.00 1.92 1.57 -1.45 -3.29 116.57 116.55 1u38 h LYS 60 Ca -0.14 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1u38 h LYS 60 Cb 1.82 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1u38 h LYS 60 CO 0.20 0.88 0.00 0.43 -0.57 0.00 0.00 179.45 180.39 1u38 n SER 61 N -4.36 0.00 0.00 0.86 7.64 0.37 -4.92 113.62 113.21 1u38 n SER 61 Ca 0.05 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1u38 n SER 61 Cb 0.20 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1u38 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u38 n GLY 62 N -0.98 1.43 0.00 0.23 0.00 -1.24 -4.99 105.19 99.65 1u38 n GLY 62 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u38 n GLY 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1u38 n LYS 63 N -0.90 3.08 -2.97 1.61 0.00 -1.26 -5.01 118.16 112.71 1u38 n LYS 63 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.91 1u38 n LYS 63 Cb 0.00 -1.02 -0.04 0.00 -0.00 0.00 0.00 35.03 33.97 1u38 n LYS 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1u38 s LEU 64 N -4.26 4.25 -0.03 -5.58 1.43 -1.26 -5.04 118.68 108.19 1u38 s LEU 64 Ca -0.00 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1u38 s LEU 64 Cb 0.00 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 43.10 1u38 s LEU 64 CO 0.02 -0.25 0.05 0.20 0.23 0.00 0.00 176.35 176.61 1u38 s ASN 65 N 0.99 0.05 0.35 2.29 0.01 -1.26 -4.85 114.94 112.52 1u38 s ASN 65 Ca 0.38 0.09 -0.24 0.00 -0.71 0.00 0.00 52.86 52.37 1u38 s ASN 65 Cb -0.17 -0.02 -0.14 0.00 0.41 0.00 0.00 41.25 41.32 1u38 s ASN 65 CO 0.16 -0.13 0.57 -0.38 -1.51 0.00 0.00 177.10 175.80 1u38 n ILE 66 N 4.20 1.72 -0.23 0.60 2.08 -1.26 -3.04 119.36 123.44 1u38 n ILE 66 Ca -0.28 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.53 1u38 n ILE 66 Cb 0.50 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.94 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 1.79 0.88 3.79 7.39 0.00 -0.82 -5.03 105.19 113.19 1u38 n GLY 67 Ca 0.12 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.04 5.36 -0.26 1.61 1.11 -1.17 -4.93 116.67 116.34 1u38 s ASP 68 Ca 0.00 -0.31 -0.03 0.00 0.18 0.00 0.00 52.55 52.39 1u38 s ASP 68 Cb 0.00 -1.31 0.03 0.00 1.07 0.00 0.00 42.92 42.70 1u38 s ASP 68 CO 0.00 -0.03 -0.03 -1.10 1.18 0.00 0.00 175.17 175.19 1u38 s GLN 69 N -3.79 2.84 0.07 8.23 -1.52 -0.93 -1.76 119.66 122.80 1u38 s GLN 69 Ca 0.33 -0.99 -0.25 0.00 -1.95 0.00 0.00 55.36 52.50 1u38 s GLN 69 Cb -0.08 -3.08 -0.06 0.00 -0.22 0.00 0.00 33.01 29.57 1u38 s GLN 69 CO 0.24 -0.43 0.76 0.42 -0.25 0.00 0.00 175.29 176.02 1u38 s ILE 70 N 1.35 4.65 -0.01 1.08 1.01 -1.22 0.19 121.20 128.26 1u38 s ILE 70 Ca -0.00 1.62 -0.01 0.00 0.00 0.00 0.00 60.65 62.26 1u38 s ILE 70 Cb -0.17 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 1u38 s ILE 70 CO -0.03 0.41 -0.02 0.23 0.00 0.00 0.00 174.94 175.53 1u38 n MET 71 N 2.48 0.04 -4.23 2.79 2.81 0.12 -4.06 117.12 117.08 1u38 n MET 71 Ca -0.04 0.12 -0.17 0.00 -1.81 0.00 0.00 57.70 55.80 1u38 n MET 71 Cb 0.50 -0.68 -0.13 0.00 -0.71 0.00 0.00 33.22 32.20 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 -3.98 1.33 -0.18 7.83 1.04 -1.25 0.46 113.70 118.95 1u38 s SER 72 Ca -0.02 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1u38 s SER 72 Cb 0.00 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.09 1u38 s SER 72 CO 0.03 -0.04 -0.20 -0.63 0.98 0.00 0.00 173.24 173.38 1u38 s ILE 73 N -0.95 2.04 -2.00 -1.02 1.09 -0.13 -2.13 121.20 118.10 1u38 s ILE 73 Ca -0.02 -0.93 0.00 0.00 -1.10 0.00 0.00 60.65 58.60 1u38 s ILE 73 Cb -0.08 -1.84 0.00 0.00 -1.06 0.00 0.00 42.46 39.48 1u38 s ILE 73 CO 0.01 0.54 0.00 0.59 -0.10 0.00 0.00 174.94 175.98 1u38 n ASN 74 N 4.61 -5.43 0.00 3.58 3.02 0.11 -1.59 115.26 119.57 1u38 n ASN 74 Ca -0.21 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1u38 n ASN 74 Cb 0.50 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 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 -0.45 1.88 3.61 7.41 0.00 -1.26 -5.04 105.19 111.35 1u38 n GLY 75 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.03 3.72 0.32 2.61 2.01 -0.62 -4.98 115.64 116.66 1u38 s THR 76 Ca 0.00 0.76 -0.27 0.00 0.31 0.00 0.00 61.69 62.48 1u38 s THR 76 Cb 0.00 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1u38 s THR 76 CO 0.00 -0.50 1.04 -0.94 -0.69 0.00 0.00 174.62 173.53 1u38 s SER 77 N 4.68 7.17 -0.02 3.53 1.04 -1.26 -0.96 113.70 127.88 1u38 s SER 77 Ca 0.70 2.09 0.10 0.00 0.48 0.00 0.00 55.95 59.32 1u38 s SER 77 Cb -0.20 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.17 1u38 s SER 77 CO 0.31 -0.20 0.20 0.18 0.98 0.00 0.00 173.24 174.71 1u38 n LEU 78 N 0.75 0.00 -4.56 2.42 4.77 0.17 -4.88 117.00 115.68 1u38 n LEU 78 Ca 0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.80 1u38 n LEU 78 Cb 0.47 0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1u38 n LEU 78 CO 0.49 0.01 1.44 0.52 -1.33 0.00 0.00 177.39 178.53 1u38 n VAL 79 N -1.87 -0.03 0.00 4.08 0.31 -1.25 -1.43 118.33 118.15 1u38 n VAL 79 Ca -0.03 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1u38 n VAL 79 Cb 0.29 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 1u38 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u38 n GLY 80 N 6.59 1.29 3.92 2.92 0.00 0.94 -4.94 105.19 115.92 1u38 n GLY 80 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 4.08 0.00 0.99 2.34 -0.52 -5.07 118.68 120.51 1u38 s LEU 81 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.10 1u38 s LEU 81 Cb 0.00 -2.66 0.00 0.00 -0.56 0.00 0.00 46.19 42.97 1u38 s LEU 81 CO 0.00 -0.13 0.00 -0.81 -1.06 0.00 0.00 176.35 174.35 1u38 n PRO 82 N -1.37 -0.56 -0.06 1.48 -0.04 -1.26 -4.71 135.00 128.48 1u38 n PRO 82 Ca -0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 1u38 n PRO 82 Cb 0.58 0.00 -0.12 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 -0.00 -1.18 1.53 6.46 -1.95 -3.13 115.31 117.03 1u38 h LEU 83 Ca 0.00 -0.89 0.18 0.00 -0.12 0.00 0.00 57.88 57.04 1u38 h LEU 83 Cb 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 39.84 1u38 h LEU 83 CO 0.00 0.90 0.61 0.28 -0.62 0.00 0.00 178.44 179.60 1u38 h SER 84 N -0.91 0.69 -0.06 1.25 0.02 -1.96 0.69 113.55 113.27 1u38 h SER 84 Ca -0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1u38 h SER 84 Cb 0.89 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 1u38 h SER 84 CO 0.00 0.29 0.02 0.74 -1.14 0.00 0.00 176.83 176.74 1u38 h THR 85 N 0.70 1.18 0.12 -2.27 2.02 -1.93 -2.14 112.91 110.59 1u38 h THR 85 Ca 0.52 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1u38 h THR 85 Cb 0.88 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1u38 h THR 85 CO -0.28 0.15 -0.09 0.00 0.37 0.00 0.00 175.52 175.68 1u38 h GLN 87 N -0.21 0.63 -0.55 0.00 4.20 -0.90 0.48 115.11 118.75 1u38 h GLN 87 Ca -0.01 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1u38 h GLN 87 Cb 0.19 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1u38 h GLN 87 CO -0.00 0.42 0.06 0.77 -0.67 0.00 0.00 178.83 179.40 1u38 h SER 88 N 0.65 0.86 -0.07 1.46 0.02 -0.70 -1.15 113.55 114.63 1u38 h SER 88 Ca 0.62 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1u38 h SER 88 Cb 1.10 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1u38 h SER 88 CO -0.43 0.89 -0.01 0.40 -1.14 0.00 0.00 176.83 176.53 1u38 h ILE 89 N 0.85 0.93 -0.00 3.27 1.08 0.81 -0.86 117.51 123.59 1u38 h ILE 89 Ca 0.17 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.64 1u38 h ILE 89 Cb 0.42 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1u38 h ILE 89 CO 0.01 0.00 -0.01 0.40 -0.69 0.00 0.00 178.15 177.87 1u38 h ILE 90 N 0.00 1.52 -0.07 -0.67 2.04 -1.36 -3.12 117.51 115.85 1u38 h ILE 90 Ca 0.03 -1.52 0.02 0.00 1.00 0.00 0.00 64.86 64.39 1u38 h ILE 90 Cb 0.05 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1u38 h ILE 90 CO -0.07 0.40 0.15 0.07 0.00 0.00 0.00 178.15 178.69 1u38 h LYS 91 N -0.64 0.00 -0.26 2.37 5.09 -1.22 -0.64 116.57 121.28 1u38 h LYS 91 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.55 1u38 h LYS 91 Cb 0.65 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.98 1u38 h LYS 91 CO 0.00 0.00 -0.57 0.78 -2.09 0.00 0.00 179.45 177.57 1u38 h GLY 92 N 0.00 0.90 -4.36 0.07 0.00 -1.09 -3.21 103.07 95.39 1u38 h GLY 92 Ca 0.03 -1.08 -0.58 0.00 0.00 0.00 0.00 47.33 45.71 1u38 h GLY 92 CO -0.00 0.96 0.68 1.47 0.00 0.00 0.00 176.54 179.65 1u38 n LEU 93 N -3.99 7.01 0.08 3.11 -0.00 -0.25 -4.50 117.00 118.45 1u38 n LEU 93 Ca -0.04 -4.18 -0.15 0.00 -0.00 0.00 0.00 56.01 51.64 1u38 n LEU 93 Cb 0.64 -1.11 -0.07 0.00 -0.00 0.00 0.00 43.42 42.89 1u38 n LEU 93 CO 0.50 1.59 0.12 0.50 -0.00 0.00 0.00 177.39 180.11 1u38 h LYS 94 N 2.52 0.41 -2.10 1.47 3.64 -1.59 -3.31 116.57 117.60 1u38 h LYS 94 Ca 0.46 -0.48 -0.49 0.00 -1.27 0.00 0.00 60.65 58.87 1u38 h LYS 94 Cb 0.58 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.40 1u38 h LYS 94 CO 1.15 1.15 0.62 0.09 -2.27 0.00 0.00 179.45 180.19 1u38 n ASN 95 N -3.71 6.55 -4.82 4.20 5.03 -1.26 -3.28 115.26 117.96 1u38 n ASN 95 Ca -0.08 -3.07 -0.24 0.00 0.87 0.00 0.00 54.58 52.06 1u38 n ASN 95 Cb 0.88 -1.29 -0.05 0.00 -1.02 0.00 0.00 39.78 38.31 1u38 n ASN 95 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1u38 s GLN 96 N -1.15 2.31 0.00 3.52 -1.52 -1.25 -4.85 119.66 116.73 1u38 s GLN 96 Ca 0.60 -1.82 0.07 0.00 -1.95 0.00 0.00 55.36 52.25 1u38 s GLN 96 Cb 0.34 -2.10 -0.03 0.00 -0.22 0.00 0.00 33.01 31.00 1u38 s GLN 96 CO -0.17 -0.27 0.40 -1.13 -0.25 0.00 0.00 175.29 173.88 1u38 n SER 97 N -1.45 0.68 -3.53 5.90 3.41 -1.26 -2.72 113.62 114.65 1u38 n SER 97 Ca -0.01 -0.84 -0.16 0.00 -0.26 0.00 0.00 58.87 57.60 1u38 n SER 97 Cb 0.64 0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 65.24 1u38 n SER 97 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1u38 s ARG 98 N -1.31 0.97 -0.16 4.33 3.52 -1.26 -2.12 118.95 122.92 1u38 s ARG 98 Ca 0.04 0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.83 1u38 s ARG 98 Cb 0.05 0.45 0.05 0.00 -1.56 0.00 0.00 34.95 33.94 1u38 s ARG 98 CO 0.21 -0.31 0.00 0.08 -0.81 0.00 0.00 175.30 174.48 1u38 s VAL 99 N -1.28 0.67 -0.11 7.11 1.01 -0.26 -4.96 120.40 122.59 1u38 s VAL 99 Ca -0.08 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1u38 s VAL 99 Cb -0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1u38 s VAL 99 CO 0.07 -0.02 0.44 -0.54 0.00 0.00 0.00 175.10 175.06 1u38 s LYS 100 N 1.81 4.29 0.03 2.72 -0.14 -1.26 -0.96 119.74 126.24 1u38 s LYS 100 Ca 0.01 0.39 -0.01 0.00 -1.36 0.00 0.00 55.97 55.00 1u38 s LYS 100 Cb -0.16 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.55 1u38 s LYS 100 CO -0.07 0.22 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.20 1u38 s LEU 101 N 0.44 2.35 -0.45 3.17 1.43 0.71 0.07 118.68 126.41 1u38 s LEU 101 Ca 0.24 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1u38 s LEU 101 Cb -0.15 0.16 0.13 0.00 0.03 0.00 0.00 46.19 46.36 1u38 s LEU 101 CO 0.10 -0.45 0.23 0.20 0.23 0.00 0.00 176.35 176.66 1u38 s ASN 102 N -2.18 3.85 0.44 2.29 0.02 -0.91 0.13 114.94 118.59 1u38 s ASN 102 Ca -0.05 -2.65 0.06 0.00 -1.02 0.00 0.00 52.86 49.21 1u38 s ASN 102 Cb -0.01 -1.18 -0.03 0.00 0.02 0.00 0.00 41.25 40.04 1u38 s ASN 102 CO -0.05 -0.27 0.20 0.27 0.02 0.00 0.00 177.10 177.27 1u38 s ILE 103 N 0.28 2.10 -0.22 0.60 -4.36 -0.90 0.14 121.20 118.85 1u38 s ILE 103 Ca 0.17 -1.68 -0.04 0.00 -0.26 0.00 0.00 60.65 58.84 1u38 s ILE 103 Cb -0.24 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.67 1u38 s ILE 103 CO -0.01 0.00 -0.04 -0.69 0.24 0.00 0.00 174.94 174.44 1u38 s VAL 104 N -2.65 3.40 -2.66 8.37 1.01 0.13 0.12 120.40 128.13 1u38 s VAL 104 Ca 0.37 -0.49 0.27 0.00 0.00 0.00 0.00 61.98 62.13 1u38 s VAL 104 Cb 0.02 -2.55 0.44 0.00 0.00 0.00 0.00 36.38 34.29 1u38 s VAL 104 CO 0.21 0.42 1.59 -1.14 0.00 0.00 0.00 175.10 176.17