#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 2.03 -0.29 -1.84 0.40 -1.26 0.44 117.98 117.46 1u38 s PHE 18 Ca 0.00 1.61 -0.15 0.00 -0.60 0.00 0.00 56.93 57.79 1u38 s PHE 18 Cb 0.00 -3.47 0.14 0.00 0.51 0.00 0.00 43.02 40.20 1u38 s PHE 18 CO 0.00 -2.62 0.92 -1.59 0.70 0.00 0.00 175.22 172.62 1u38 s LYS 19 N -3.94 0.40 -0.56 0.44 0.00 0.36 -4.77 119.74 111.67 1u38 s LYS 19 Ca 0.74 0.83 -0.27 0.00 0.00 0.00 0.00 55.97 57.27 1u38 s LYS 19 Cb -0.29 0.30 -0.03 0.00 0.00 0.00 0.00 37.83 37.82 1u38 s LYS 19 CO 0.46 -0.11 1.91 -0.51 0.00 0.00 0.00 175.35 177.10 1u38 s ASP 20 N 1.95 5.27 -0.32 0.03 1.01 -1.26 -2.19 116.67 121.15 1u38 s ASP 20 Ca -0.06 0.57 -0.26 0.00 0.71 0.00 0.00 52.55 53.51 1u38 s ASP 20 Cb -0.06 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.36 1u38 s ASP 20 CO -0.17 -2.33 0.91 -0.69 0.21 0.00 0.00 175.17 173.10 1u38 s VAL 21 N 9.10 4.67 -0.35 -1.27 1.01 0.24 -4.87 120.40 128.93 1u38 s VAL 21 Ca 0.72 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 1u38 s VAL 21 Cb -0.15 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.05 1u38 s VAL 21 CO 0.23 -0.37 0.09 0.12 0.00 0.00 0.00 175.10 175.18 1u38 s PHE 22 N 3.27 3.46 -0.50 5.22 2.19 -1.24 0.17 117.98 130.54 1u38 s PHE 22 Ca 0.38 -2.25 -0.12 0.00 0.33 0.00 0.00 56.93 55.27 1u38 s PHE 22 Cb -0.13 -2.68 0.13 0.00 -1.31 0.00 0.00 43.02 39.03 1u38 s PHE 22 CO 0.14 -0.89 0.41 0.42 1.83 0.00 0.00 175.22 177.13 1u38 s ILE 23 N 1.16 4.60 -0.42 3.12 -1.09 0.07 -4.86 121.20 123.78 1u38 s ILE 23 Ca 0.02 -1.71 -0.29 0.00 -2.23 0.00 0.00 60.65 56.45 1u38 s ILE 23 Cb -0.21 -3.99 0.01 0.00 -1.58 0.00 0.00 42.46 36.69 1u38 s ILE 23 CO -0.03 -0.82 1.38 -1.61 -1.23 0.00 0.00 174.94 172.63 1u38 s GLU 24 N 1.41 3.58 0.17 2.79 2.02 -1.26 -0.04 118.70 127.37 1u38 s GLU 24 Ca 0.05 0.89 0.02 0.00 0.02 0.00 0.00 54.97 55.95 1u38 s GLU 24 Cb -0.27 -4.02 -0.01 0.00 0.10 0.00 0.00 34.13 29.94 1u38 s GLU 24 CO 0.00 -1.56 0.07 0.36 0.02 0.00 0.00 175.26 174.15 1u38 n LYS 25 N 8.07 0.73 -4.28 1.61 2.85 -0.01 -4.90 118.16 122.23 1u38 n LYS 25 Ca 0.16 -1.43 -0.23 0.00 -1.05 0.00 0.00 58.31 55.76 1u38 n LYS 25 Cb 0.48 0.81 -0.07 0.00 -0.65 0.00 0.00 35.03 35.60 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 -2.64 2.33 0.84 -1.58 1.11 -1.26 -3.98 119.66 114.49 1u38 s GLN 26 Ca 0.09 -1.37 -0.12 0.00 0.01 0.00 0.00 55.36 53.97 1u38 s GLN 26 Cb 0.00 -2.20 0.10 0.00 -1.01 0.00 0.00 33.01 29.91 1u38 s GLN 26 CO 0.07 0.38 1.19 1.63 0.01 0.00 0.00 175.29 178.56 1u38 n LYS 27 N -0.81 0.01 -1.39 2.91 5.02 -1.20 -2.51 118.16 120.20 1u38 n LYS 27 Ca -0.07 0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 1u38 n LYS 27 Cb 0.58 -2.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.12 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 0.48 1.35 1.29 0.72 0.00 -0.95 -4.82 105.19 103.27 1u38 n GLY 28 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.99 1.10 0.00 1.61 4.07 -1.04 -5.03 120.64 119.36 1u38 n GLU 29 Ca -0.13 -2.84 0.00 0.00 -0.06 0.00 0.00 57.16 54.12 1u38 n GLU 29 Cb 0.52 -0.99 0.00 0.00 -0.06 0.00 0.00 31.44 30.91 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 -0.35 0.00 0.00 6.31 -5.35 -1.23 -4.41 119.36 114.33 1u38 n ILE 30 Ca 0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 1u38 n ILE 30 Cb 0.92 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 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 -1.22 7.28 7.94 -1.26 -4.82 117.00 124.92 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 0.77 3.20 -3.96 0.00 -1.26 -3.33 105.19 100.61 1u38 n GLY 32 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.81 0.11 -0.12 1.61 -7.23 -1.26 -0.16 120.40 110.54 1u38 s VAL 33 Ca 0.00 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1u38 s VAL 33 Cb 0.00 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.90 1u38 s VAL 33 CO 0.00 -0.52 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.37 1u38 s VAL 34 N -2.97 1.97 0.03 1.32 1.01 0.30 -4.89 120.40 117.16 1u38 s VAL 34 Ca -0.02 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1u38 s VAL 34 Cb 0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1u38 s VAL 34 CO -0.06 0.54 -0.19 0.27 0.00 0.00 0.00 175.10 175.65 1u38 s ILE 35 N 0.68 2.68 0.17 2.22 -4.36 -1.26 0.29 121.20 121.61 1u38 s ILE 35 Ca -0.11 -1.16 0.02 0.00 -0.26 0.00 0.00 60.65 59.14 1u38 s ILE 35 Cb -0.16 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.41 1u38 s ILE 35 CO 0.02 0.38 -0.02 0.68 0.24 0.00 0.00 174.94 176.24 1u38 s VAL 36 N -0.87 0.80 0.03 8.37 -7.23 0.18 -4.82 120.40 116.87 1u38 s VAL 36 Ca 0.14 -1.99 -0.34 0.00 -1.81 0.00 0.00 61.98 57.98 1u38 s VAL 36 Cb -0.10 -2.05 -0.12 0.00 0.56 0.00 0.00 36.38 34.67 1u38 s VAL 36 CO 0.04 -0.55 1.77 -0.62 -0.31 0.00 0.00 175.10 175.43 1u38 n GLU 37 N -0.23 2.26 -1.85 4.82 1.02 -1.26 0.91 120.64 126.31 1u38 n GLU 37 Ca -0.08 0.82 -0.21 0.00 -0.02 0.00 0.00 57.16 57.67 1u38 n GLU 37 Cb 0.63 -2.65 -0.08 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 2.78 4.39 0.00 1.62 1.04 -1.24 -4.70 113.70 117.60 1u38 s SER 38 Ca 0.86 -0.94 0.30 0.00 0.48 0.00 0.00 55.95 56.65 1u38 s SER 38 Cb -0.66 -2.58 1.51 0.00 0.10 0.00 0.00 66.02 64.40 1u38 s SER 38 CO 0.45 -3.63 2.03 0.61 0.98 0.00 0.00 173.24 173.68 1u38 n GLY 39 N 6.32 -1.09 0.00 7.32 0.00 -1.26 -4.60 105.19 111.88 1u38 n GLY 39 Ca 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.08 -1.02 0.30 1.61 4.27 -1.26 -4.67 117.44 115.59 1u38 n TRP 40 Ca 0.17 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.91 1u38 n TRP 40 Cb 0.22 0.00 0.71 0.00 -1.36 0.00 0.00 31.31 30.89 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 -0.21 0.00 0.00 -1.67 0.00 -2.04 -3.46 103.07 95.69 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 -2.71 0.00 0.00 0.19 7.64 -1.26 -4.98 113.62 112.50 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 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 -3.33 0.44 5.41 -1.26 -3.24 119.36 117.39 1u38 n ILE 43 Ca 0.00 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.50 1u38 n ILE 43 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 1u38 n ILE 43 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1u38 n LEU 44 N 0.00 0.68 -4.52 1.39 4.77 -1.26 -5.07 117.00 112.99 1u38 n LEU 44 Ca 0.00 -4.74 -0.19 0.00 -0.03 0.00 0.00 56.01 51.05 1u38 n LEU 44 Cb 0.00 0.34 -0.17 0.00 -2.33 0.00 0.00 43.42 41.26 1u38 n LEU 44 CO 0.00 1.99 1.78 -2.65 -1.33 0.00 0.00 177.39 177.18 1u38 n PRO 45 N 1.75 0.20 0.00 3.23 -0.02 -1.20 -4.55 135.00 134.42 1u38 n PRO 45 Ca 0.25 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1u38 n PRO 45 Cb 0.49 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 6.68 0.00 -3.88 3.45 5.66 -1.26 0.12 114.28 125.05 1u38 n THR 46 Ca 0.61 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.52 1u38 n THR 46 Cb 0.24 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.98 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 0.02 -0.04 1.08 -7.23 -1.26 -3.64 120.40 109.49 1u38 s VAL 47 Ca 0.00 -1.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1u38 s VAL 47 Cb 0.00 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 35.05 1u38 s VAL 47 CO 0.00 -0.07 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.06 1u38 s ILE 48 N -3.95 0.44 -0.73 -0.62 1.01 0.26 -3.31 121.20 114.30 1u38 s ILE 48 Ca 0.15 -0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 1u38 s ILE 48 Cb -0.01 -0.48 -0.06 0.00 0.01 0.00 0.00 42.46 41.92 1u38 s ILE 48 CO 0.04 0.20 2.08 -0.63 0.00 0.00 0.00 174.94 176.63 1u38 s ILE 49 N 0.95 3.27 -2.68 2.92 1.01 -0.91 -0.64 121.20 125.12 1u38 s ILE 49 Ca -0.11 -0.07 0.25 0.00 0.00 0.00 0.00 60.65 60.72 1u38 s ILE 49 Cb -0.14 -3.64 0.38 0.00 0.01 0.00 0.00 42.46 39.07 1u38 s ILE 49 CO -0.00 -0.61 1.49 0.00 0.00 0.00 0.00 174.94 175.82 1u38 n ALA 50 N 14.84 2.51 -3.59 9.38 0.00 0.14 -1.25 120.51 142.55 1u38 n ALA 50 Ca 0.35 -0.61 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 1u38 n ALA 50 Cb 0.49 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.91 -0.15 0.13 0.00 -0.87 -1.08 -4.95 114.94 106.11 1u38 s ASN 51 Ca 0.33 -0.03 -0.18 0.00 -1.57 0.00 0.00 52.86 51.42 1u38 s ASN 51 Cb 0.20 0.18 0.04 0.00 -0.02 0.00 0.00 41.25 41.66 1u38 s ASN 51 CO 0.31 -0.31 0.44 -0.04 -2.57 0.00 0.00 177.10 174.94 1u38 s MET 52 N -2.53 1.11 0.60 -0.60 -1.94 -1.26 0.11 119.30 114.79 1u38 s MET 52 Ca 0.10 -0.64 0.38 0.00 -1.71 0.00 0.00 55.69 53.81 1u38 s MET 52 Cb -0.00 0.49 1.87 0.00 2.01 0.00 0.00 34.83 39.20 1u38 s MET 52 CO -0.05 -0.44 2.18 0.52 -0.01 0.00 0.00 175.02 177.22 1u38 h MET 53 N 2.31 0.00 -5.52 2.03 2.86 -0.88 -3.47 114.93 112.27 1u38 h MET 53 Ca -0.34 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 56.97 1u38 h MET 53 Cb 1.26 0.00 0.15 0.00 0.06 0.00 0.00 31.60 33.08 1u38 h MET 53 CO 0.45 0.02 -0.71 1.58 1.06 0.00 0.00 176.91 179.31 1u38 n HIS 54 N -3.19 -2.28 0.00 -0.22 -0.00 -1.26 -4.60 115.22 103.67 1u38 n HIS 54 Ca -0.01 0.92 0.00 0.00 0.46 0.00 0.00 57.72 59.08 1u38 n HIS 54 Cb 0.19 -4.92 0.00 0.00 -0.12 0.00 0.00 29.99 25.14 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 -1.36 0.51 0.64 1.57 0.00 -1.26 -5.00 105.19 100.29 1u38 n GLY 55 Ca -0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.62 0.34 -0.02 0.00 -1.26 -4.17 105.19 96.45 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 -0.00 1.61 0.11 -1.88 0.01 132.00 131.84 1u38 h PRO 57 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1u38 h PRO 57 Cb 0.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1u38 h PRO 57 CO 0.05 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 177.84 1u38 h ALA 58 N 1.74 0.01 0.13 -0.75 0.00 -1.86 -2.28 119.26 116.25 1u38 h ALA 58 Ca 0.03 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 1u38 h ALA 58 Cb 0.34 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1u38 h ALA 58 CO -0.00 -0.33 -1.26 1.49 0.00 0.00 0.00 179.25 179.15 1u38 h GLU 59 N -0.32 0.58 -0.53 0.00 4.57 -1.66 -2.98 114.58 114.25 1u38 h GLU 59 Ca 0.00 -0.80 0.09 0.00 -1.18 0.00 0.00 59.36 57.47 1u38 h GLU 59 Cb 0.33 0.27 -0.08 0.00 -0.16 0.00 0.00 28.75 29.12 1u38 h GLU 59 CO 0.00 1.36 0.10 0.87 -1.18 0.00 0.00 179.01 180.16 1u38 h LYS 60 N 0.25 0.22 0.49 1.92 1.57 -1.07 -3.07 116.57 116.88 1u38 h LYS 60 Ca -0.19 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1u38 h LYS 60 Cb 1.93 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.20 1u38 h LYS 60 CO 0.24 0.15 -0.23 0.77 -0.57 0.00 0.00 179.45 179.80 1u38 h SER 61 N 0.23 -0.56 0.00 0.86 0.02 -1.50 -3.48 113.55 109.12 1u38 h SER 61 Ca 0.27 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1u38 h SER 61 Cb 0.38 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1u38 h SER 61 CO -0.36 -0.21 0.00 0.61 -1.14 0.00 0.00 176.83 175.73 1u38 n GLY 62 N -0.08 0.60 0.11 -3.77 0.00 -1.12 -4.96 105.19 95.98 1u38 n GLY 62 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 3.41 0.00 -4.76 1.61 1.79 -1.90 -3.42 116.57 113.31 1u38 h LYS 63 Ca 0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 1u38 h LYS 63 Cb 0.00 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.40 1u38 h LYS 63 CO 0.00 0.74 -0.59 -0.51 -1.08 0.00 0.00 179.45 178.01 1u38 s LEU 64 N -6.96 4.06 0.00 2.94 1.43 -1.26 -4.97 118.68 113.93 1u38 s LEU 64 Ca 0.01 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1u38 s LEU 64 Cb 0.10 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1u38 s LEU 64 CO 0.78 -0.23 -0.12 0.54 0.23 0.00 0.00 176.35 177.55 1u38 s ASN 65 N 1.52 1.42 0.30 2.29 2.20 -1.26 -4.64 114.94 116.78 1u38 s ASN 65 Ca 0.03 -0.27 -0.26 0.00 -0.94 0.00 0.00 52.86 51.42 1u38 s ASN 65 Cb -0.18 -0.14 -0.15 0.00 -2.00 0.00 0.00 41.25 38.79 1u38 s ASN 65 CO 0.04 0.11 0.65 -0.38 -2.94 0.00 0.00 177.10 174.58 1u38 n ILE 66 N 2.58 1.85 -0.49 0.54 2.08 -1.26 -2.76 119.36 121.89 1u38 n ILE 66 Ca -0.15 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1u38 n ILE 66 Cb 0.56 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.98 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 1.72 0.71 3.89 7.39 0.00 -0.38 -4.99 105.19 113.52 1u38 n GLY 67 Ca 0.13 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.38 5.93 -0.30 1.61 1.01 -1.11 -4.91 116.67 116.51 1u38 s ASP 68 Ca 0.00 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.22 1u38 s ASP 68 Cb 0.00 -1.65 0.07 0.00 1.01 0.00 0.00 42.92 42.35 1u38 s ASP 68 CO 0.00 -0.02 -0.01 -1.10 0.21 0.00 0.00 175.17 174.25 1u38 s GLN 69 N -3.69 2.13 -0.26 8.23 -1.52 -0.99 -2.13 119.66 121.43 1u38 s GLN 69 Ca 0.33 -1.48 -0.24 0.00 -1.95 0.00 0.00 55.36 52.02 1u38 s GLN 69 Cb -0.09 -3.12 -0.00 0.00 -0.22 0.00 0.00 33.01 29.58 1u38 s GLN 69 CO 0.27 -0.71 0.82 0.42 -0.25 0.00 0.00 175.29 175.83 1u38 s ILE 70 N 1.11 4.82 -0.05 1.08 1.01 -1.21 0.32 121.20 128.29 1u38 s ILE 70 Ca -0.02 1.46 -0.00 0.00 0.00 0.00 0.00 60.65 62.09 1u38 s ILE 70 Cb -0.20 -4.13 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 1u38 s ILE 70 CO -0.04 -0.13 -0.00 0.24 0.00 0.00 0.00 174.94 175.01 1u38 h MET 71 N 7.81 0.00 -4.83 2.79 2.86 -1.15 -3.35 114.93 119.07 1u38 h MET 71 Ca -0.23 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.06 1u38 h MET 71 Cb 1.09 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 32.52 1u38 h MET 71 CO 0.88 0.00 -0.76 -1.12 1.06 0.00 0.00 176.91 176.97 1u38 s SER 72 N -4.19 1.14 -0.26 1.22 0.01 -1.21 0.60 113.70 111.01 1u38 s SER 72 Ca -0.00 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 1u38 s SER 72 Cb 0.00 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1u38 s SER 72 CO 0.00 -0.07 -0.03 -0.63 0.41 0.00 0.00 173.24 172.93 1u38 s ILE 73 N -0.99 3.09 -2.04 1.44 1.01 -0.02 -1.87 121.20 121.83 1u38 s ILE 73 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1u38 s ILE 73 Cb -0.08 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1u38 s ILE 73 CO 0.01 0.13 0.00 0.59 0.00 0.00 0.00 174.94 175.67 1u38 n ASN 74 N 4.70 -5.39 0.00 3.58 3.02 0.28 -1.37 115.26 120.08 1u38 n ASN 74 Ca -0.16 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1u38 n ASN 74 Cb 0.47 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 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 -0.51 1.57 3.59 7.41 0.00 -1.26 -5.05 105.19 110.94 1u38 n GLY 75 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.85 3.46 0.27 2.61 2.01 -0.47 -4.96 115.64 116.71 1u38 s THR 76 Ca 0.00 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.15 1u38 s THR 76 Cb 0.00 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.73 1u38 s THR 76 CO 0.00 -0.48 1.25 -0.55 -0.69 0.00 0.00 174.62 174.15 1u38 s SER 77 N 6.46 6.96 -0.04 3.53 0.15 -1.26 -0.84 113.70 128.66 1u38 s SER 77 Ca 0.78 2.47 0.09 0.00 0.70 0.00 0.00 55.95 59.99 1u38 s SER 77 Cb -0.21 -2.63 -0.14 0.00 -1.71 0.00 0.00 66.02 61.33 1u38 s SER 77 CO 0.32 -0.42 0.15 0.18 1.20 0.00 0.00 173.24 174.67 1u38 n LEU 78 N 1.51 0.00 -4.55 3.45 4.77 0.20 -4.87 117.00 117.51 1u38 n LEU 78 Ca 0.02 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 1u38 n LEU 78 Cb 0.43 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1u38 n LEU 78 CO 0.57 0.07 1.91 0.52 -1.33 0.00 0.00 177.39 179.14 1u38 n VAL 79 N -2.00 -0.07 0.00 4.08 0.31 -1.22 -1.52 118.33 117.90 1u38 n VAL 79 Ca -0.06 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.55 1u38 n VAL 79 Cb 0.43 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.82 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 6.16 0.99 3.95 2.92 0.00 0.12 -4.95 105.19 114.38 1u38 n GLY 80 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 4.11 1.32 0.99 2.34 -0.58 -5.07 118.68 121.80 1u38 s LEU 81 Ca 0.00 0.33 -0.21 0.00 0.06 0.00 0.00 54.13 54.31 1u38 s LEU 81 Cb 0.00 -3.17 0.33 0.00 -0.56 0.00 0.00 46.19 42.79 1u38 s LEU 81 CO 0.00 -0.22 1.02 -2.16 -1.06 0.00 0.00 176.35 173.94 1u38 s PRO 82 N -4.18 -2.16 0.12 1.48 0.04 -1.26 -4.77 135.00 124.27 1u38 s PRO 82 Ca 0.38 -0.00 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 1u38 s PRO 82 Cb -0.09 -1.48 -0.10 0.00 0.04 0.00 0.00 34.50 32.87 1u38 s PRO 82 CO 0.34 -4.34 1.37 1.25 0.04 0.00 0.00 177.00 175.65 1u38 h LEU 83 N -3.03 0.92 -0.60 -3.56 5.85 -1.94 -3.00 115.31 109.96 1u38 h LEU 83 Ca -0.43 -0.55 0.10 0.00 0.84 0.00 0.00 57.88 57.84 1u38 h LEU 83 Cb 1.31 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 42.00 1u38 h LEU 83 CO 0.30 1.34 0.20 -1.28 -0.34 0.00 0.00 178.44 178.65 1u38 h SER 84 N 0.58 0.16 0.05 1.25 0.87 -1.96 0.37 113.55 114.87 1u38 h SER 84 Ca -0.02 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1u38 h SER 84 Cb 1.27 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1u38 h SER 84 CO 0.14 0.09 -0.02 0.74 -0.53 0.00 0.00 176.83 177.25 1u38 h THR 85 N 0.36 1.03 0.22 2.23 2.02 -1.92 -2.33 112.91 114.52 1u38 h THR 85 Ca 0.31 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1u38 h THR 85 Cb 0.40 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1u38 h THR 85 CO -0.33 0.06 -0.32 0.00 0.37 0.00 0.00 175.52 175.30 1u38 h GLN 87 N -0.61 0.59 -0.56 0.00 4.20 -0.94 0.60 115.11 118.39 1u38 h GLN 87 Ca 0.01 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1u38 h GLN 87 Cb 0.59 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1u38 h GLN 87 CO -0.12 0.39 0.15 0.66 -0.67 0.00 0.00 178.83 179.24 1u38 h SER 88 N 0.61 0.79 -0.13 1.46 4.64 -0.76 0.13 113.55 120.28 1u38 h SER 88 Ca 0.61 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.82 1u38 h SER 88 Cb 1.10 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1u38 h SER 88 CO -0.45 0.76 0.01 0.40 -0.87 0.00 0.00 176.83 176.67 1u38 h ILE 89 N 0.82 0.92 -0.15 0.95 1.08 0.14 -1.25 117.51 120.02 1u38 h ILE 89 Ca 0.18 -0.02 -0.11 0.00 -0.39 0.00 0.00 64.86 64.52 1u38 h ILE 89 Cb 0.27 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1u38 h ILE 89 CO -0.00 0.01 -0.35 0.40 -0.69 0.00 0.00 178.15 177.52 1u38 h ILE 90 N 0.05 1.36 -0.27 -0.67 2.04 -1.22 -3.04 117.51 115.76 1u38 h ILE 90 Ca 0.06 -1.62 0.08 0.00 1.00 0.00 0.00 64.86 64.38 1u38 h ILE 90 Cb 0.07 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1u38 h ILE 90 CO -0.10 0.49 0.31 0.11 0.00 0.00 0.00 178.15 178.96 1u38 h LYS 91 N 0.12 0.00 0.07 2.37 1.57 -0.58 -1.52 116.57 118.60 1u38 h LYS 91 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1u38 h LYS 91 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1u38 h LYS 91 CO 0.08 0.00 -0.04 0.78 -0.57 0.00 0.00 179.45 179.70 1u38 h GLY 92 N 0.00 -0.10 -5.14 3.86 0.00 -1.10 -3.27 103.07 97.31 1u38 h GLY 92 Ca 0.13 0.04 -0.64 0.00 0.00 0.00 0.00 47.33 46.85 1u38 h GLY 92 CO -0.00 -0.04 3.67 1.47 0.00 0.00 0.00 176.54 181.64 1u38 n LEU 93 N -4.99 8.20 0.06 3.11 -0.00 -0.57 -4.43 117.00 118.36 1u38 n LEU 93 Ca -0.08 -4.19 -0.00 0.00 -0.00 0.00 0.00 56.01 51.73 1u38 n LEU 93 Cb 0.19 -1.52 -0.06 0.00 -0.00 0.00 0.00 43.42 42.03 1u38 n LEU 93 CO 0.33 1.83 -0.10 0.50 -0.00 0.00 0.00 177.39 179.94 1u38 h LYS 94 N 5.24 0.00 -1.89 1.47 3.64 -1.71 -3.37 116.57 119.96 1u38 h LYS 94 Ca 0.81 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 59.49 1u38 h LYS 94 Cb 0.30 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 31.79 1u38 h LYS 94 CO 1.77 0.39 0.31 0.27 -2.27 0.00 0.00 179.45 179.91 1u38 n ASN 95 N -3.00 6.30 -4.77 4.20 0.23 -1.26 -2.24 115.26 114.71 1u38 n ASN 95 Ca -0.07 -3.77 -0.22 0.00 -0.53 0.00 0.00 54.58 49.99 1u38 n ASN 95 Cb 0.83 -0.83 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 1u38 n ASN 95 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1u38 s GLN 96 N -3.87 2.53 0.00 -3.83 -0.21 -1.26 -4.77 119.66 108.25 1u38 s GLN 96 Ca 0.49 -1.40 0.22 0.00 0.02 0.00 0.00 55.36 54.69 1u38 s GLN 96 Cb 0.38 -2.31 -0.13 0.00 1.00 0.00 0.00 33.01 31.95 1u38 s GLN 96 CO -0.29 0.17 0.94 -1.13 -2.12 0.00 0.00 175.29 172.86 1u38 n SER 97 N -1.19 0.85 -3.55 5.90 3.41 -1.26 -3.21 113.62 114.58 1u38 n SER 97 Ca -0.04 -0.80 -0.14 0.00 -0.26 0.00 0.00 58.87 57.64 1u38 n SER 97 Cb 0.60 0.97 -0.05 0.00 -0.26 0.00 0.00 64.21 65.46 1u38 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u38 s ARG 98 N -3.05 0.82 -0.19 4.33 1.04 -1.26 -0.83 118.95 119.82 1u38 s ARG 98 Ca 0.07 0.18 0.01 0.00 -1.04 0.00 0.00 55.73 54.95 1u38 s ARG 98 Cb 0.16 0.39 0.02 0.00 -2.04 0.00 0.00 34.95 33.48 1u38 s ARG 98 CO 0.85 -0.26 -0.19 0.08 -0.04 0.00 0.00 175.30 175.74 1u38 s VAL 99 N -1.23 2.08 -0.31 4.99 1.01 0.94 -4.89 120.40 123.00 1u38 s VAL 99 Ca -0.06 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 1u38 s VAL 99 Cb -0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1u38 s VAL 99 CO 0.05 0.49 0.32 -0.54 0.00 0.00 0.00 175.10 175.42 1u38 s LYS 100 N 1.28 3.78 -0.08 2.72 1.02 -1.25 -0.75 119.74 126.45 1u38 s LYS 100 Ca 0.04 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.73 1u38 s LYS 100 Cb -0.14 -3.73 0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1u38 s LYS 100 CO -0.12 -0.36 0.03 -0.51 -0.92 0.00 0.00 175.35 173.47 1u38 s LEU 101 N 1.95 0.47 -0.79 3.17 1.43 0.13 -0.56 118.68 124.49 1u38 s LEU 101 Ca 0.11 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.83 1u38 s LEU 101 Cb -0.16 -0.34 0.08 0.00 0.03 0.00 0.00 46.19 45.80 1u38 s LEU 101 CO 0.11 -0.24 1.12 0.20 0.23 0.00 0.00 176.35 177.77 1u38 s ASN 102 N 2.04 6.32 0.41 2.29 0.02 -0.78 0.82 114.94 126.07 1u38 s ASN 102 Ca 0.04 -1.22 0.07 0.00 -1.02 0.00 0.00 52.86 50.73 1u38 s ASN 102 Cb -0.13 -2.46 -0.08 0.00 0.02 0.00 0.00 41.25 38.61 1u38 s ASN 102 CO -0.05 -1.43 0.01 0.27 0.02 0.00 0.00 177.10 175.92 1u38 s ILE 103 N 4.14 1.91 -0.31 0.60 -4.36 -0.93 -0.49 121.20 121.75 1u38 s ILE 103 Ca 0.30 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.62 1u38 s ILE 103 Cb -0.10 -2.94 0.02 0.00 1.25 0.00 0.00 42.46 40.68 1u38 s ILE 103 CO 0.03 0.00 0.10 -0.69 0.24 0.00 0.00 174.94 174.62 1u38 s VAL 104 N -2.75 3.98 -2.43 8.37 1.01 0.15 0.13 120.40 128.86 1u38 s VAL 104 Ca 0.34 -0.79 0.29 0.00 0.00 0.00 0.00 61.98 61.81 1u38 s VAL 104 Cb 0.09 -3.11 0.60 0.00 0.00 0.00 0.00 36.38 33.97 1u38 s VAL 104 CO 0.17 0.00 1.81 -1.14 0.00 0.00 0.00 175.10 175.94