#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 2.47 -0.29 -1.84 0.40 -1.26 -0.52 117.98 116.93 1u38 s PHE 18 Ca 0.00 1.56 -0.15 0.00 -0.60 0.00 0.00 56.93 57.74 1u38 s PHE 18 Cb 0.00 -3.26 0.14 0.00 0.51 0.00 0.00 43.02 40.40 1u38 s PHE 18 CO 0.00 -1.93 0.89 -1.59 0.70 0.00 0.00 175.22 173.29 1u38 s LYS 19 N -3.96 0.43 -0.46 0.44 0.00 0.30 -4.85 119.74 111.63 1u38 s LYS 19 Ca 0.70 0.87 -0.28 0.00 0.00 0.00 0.00 55.97 57.26 1u38 s LYS 19 Cb -0.23 0.29 -0.01 0.00 0.00 0.00 0.00 37.83 37.88 1u38 s LYS 19 CO 0.41 -0.11 1.68 -0.51 0.00 0.00 0.00 175.35 176.82 1u38 s ASP 20 N 1.89 5.85 -0.53 0.03 1.11 -1.26 -1.94 116.67 121.82 1u38 s ASP 20 Ca -0.07 0.79 -0.20 0.00 0.18 0.00 0.00 52.55 53.25 1u38 s ASP 20 Cb -0.06 -2.53 0.07 0.00 1.07 0.00 0.00 42.92 41.47 1u38 s ASP 20 CO -0.17 -1.84 0.69 -0.69 1.18 0.00 0.00 175.17 174.34 1u38 s VAL 21 N 7.07 4.79 -0.46 -1.27 1.01 0.31 -4.91 120.40 126.95 1u38 s VAL 21 Ca 0.68 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1u38 s VAL 21 Cb -0.16 -4.37 0.08 0.00 0.00 0.00 0.00 36.38 31.92 1u38 s VAL 21 CO 0.29 -0.92 0.36 0.12 0.00 0.00 0.00 175.10 174.95 1u38 s PHE 22 N 2.83 3.27 -0.53 5.22 5.36 -1.26 -1.42 117.98 131.45 1u38 s PHE 22 Ca 0.16 -1.12 -0.13 0.00 -0.96 0.00 0.00 56.93 54.88 1u38 s PHE 22 Cb -0.19 -3.15 0.13 0.00 -0.34 0.00 0.00 43.02 39.47 1u38 s PHE 22 CO 0.11 -0.82 0.46 0.42 -1.46 0.00 0.00 175.22 173.93 1u38 s ILE 23 N 1.58 4.86 -0.42 3.12 -1.09 -0.68 -4.89 121.20 123.68 1u38 s ILE 23 Ca 0.04 -1.68 -0.29 0.00 -2.23 0.00 0.00 60.65 56.49 1u38 s ILE 23 Cb -0.24 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.51 1u38 s ILE 23 CO 0.05 -0.85 1.40 -1.61 -1.23 0.00 0.00 174.94 172.70 1u38 s GLU 24 N 1.41 3.56 0.31 2.79 2.02 -1.26 0.26 118.70 127.80 1u38 s GLU 24 Ca 0.05 0.89 0.03 0.00 0.02 0.00 0.00 54.97 55.96 1u38 s GLU 24 Cb -0.27 -4.03 -0.01 0.00 0.10 0.00 0.00 34.13 29.92 1u38 s GLU 24 CO 0.01 -1.58 0.11 0.36 0.02 0.00 0.00 175.26 174.18 1u38 n LYS 25 N 8.10 0.68 -4.15 1.61 2.85 0.21 -4.90 118.16 122.55 1u38 n LYS 25 Ca 0.16 -2.62 -0.24 0.00 -1.05 0.00 0.00 58.31 54.55 1u38 n LYS 25 Cb 0.48 1.41 -0.07 0.00 -0.65 0.00 0.00 35.03 36.20 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 -3.19 2.23 0.69 -1.58 1.11 -1.26 -3.84 119.66 113.81 1u38 s GLN 26 Ca 0.15 -1.80 -0.15 0.00 0.01 0.00 0.00 55.36 53.58 1u38 s GLN 26 Cb 0.01 -2.00 0.01 0.00 -1.01 0.00 0.00 33.01 30.02 1u38 s GLN 26 CO 0.11 -0.06 1.13 0.15 0.01 0.00 0.00 175.29 176.63 1u38 s LYS 27 N -3.88 2.58 -0.54 2.91 1.02 -1.25 -3.04 119.74 117.54 1u38 s LYS 27 Ca 0.40 1.47 0.00 0.00 0.02 0.00 0.00 55.97 57.86 1u38 s LYS 27 Cb 0.03 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1u38 s LYS 27 CO 0.22 -1.43 0.00 0.41 -0.92 0.00 0.00 175.35 173.63 1u38 n GLY 28 N -0.31 0.72 1.41 -3.33 0.00 -1.26 -4.85 105.19 97.57 1u38 n GLY 28 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.94 1.37 0.00 1.61 -0.58 -1.17 -5.02 120.64 114.90 1u38 n GLU 29 Ca -0.05 -3.02 0.00 0.00 -0.42 0.00 0.00 57.16 53.67 1u38 n GLU 29 Cb 0.28 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1u38 n GLU 29 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1u38 n ILE 30 N -0.44 0.00 0.00 -3.67 -5.35 -1.26 -4.47 119.36 104.17 1u38 n ILE 30 Ca 0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 1u38 n ILE 30 Cb 0.90 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 -1.10 7.28 7.94 -1.26 -4.91 117.00 124.96 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 0.59 3.32 -3.96 0.00 -1.26 -2.85 105.19 101.02 1u38 n GLY 32 Ca 0.00 -0.40 -0.12 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 0.06 -0.09 1.61 -7.23 -1.26 -0.51 120.40 110.24 1u38 s VAL 33 Ca 0.00 -0.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 1u38 s VAL 33 Cb 0.00 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.95 1u38 s VAL 33 CO 0.00 -0.27 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.65 1u38 s VAL 34 N -2.75 1.69 0.02 1.32 1.01 0.27 -4.90 120.40 117.06 1u38 s VAL 34 Ca -0.04 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1u38 s VAL 34 Cb -0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1u38 s VAL 34 CO -0.04 0.48 -0.15 0.27 0.00 0.00 0.00 175.10 175.66 1u38 s ILE 35 N 0.56 3.05 0.16 2.22 -4.36 -1.26 -0.10 121.20 121.48 1u38 s ILE 35 Ca -0.15 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 1u38 s ILE 35 Cb -0.17 -2.28 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 1u38 s ILE 35 CO 0.05 0.39 0.04 0.68 0.24 0.00 0.00 174.94 176.33 1u38 s VAL 36 N -0.92 0.40 0.22 8.37 -7.23 0.13 -4.83 120.40 116.55 1u38 s VAL 36 Ca 0.15 -1.95 -0.32 0.00 -1.81 0.00 0.00 61.98 58.05 1u38 s VAL 36 Cb -0.11 -2.15 -0.14 0.00 0.56 0.00 0.00 36.38 34.55 1u38 s VAL 36 CO 0.05 -0.41 1.43 -0.62 -0.31 0.00 0.00 175.10 175.24 1u38 n GLU 37 N -0.20 2.00 -2.39 4.82 1.02 -1.26 0.11 120.64 124.74 1u38 n GLU 37 Ca -0.05 0.71 -0.37 0.00 -0.02 0.00 0.00 57.16 57.43 1u38 n GLU 37 Cb 0.64 -2.38 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 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 0.39 6.13 0.00 1.62 1.04 -1.26 -4.59 113.70 117.02 1u38 s SER 38 Ca 0.70 -1.86 0.30 0.00 0.48 0.00 0.00 55.95 55.57 1u38 s SER 38 Cb -0.67 -2.58 1.48 0.00 0.10 0.00 0.00 66.02 64.35 1u38 s SER 38 CO 0.48 -1.90 2.01 0.61 0.98 0.00 0.00 173.24 175.42 1u38 n GLY 39 N 5.95 -1.11 0.00 7.32 0.00 -1.26 -4.56 105.19 111.53 1u38 n GLY 39 Ca 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.11 -0.97 -0.07 1.61 4.27 -1.26 -4.65 117.44 115.25 1u38 n TRP 40 Ca 0.16 0.00 0.25 0.00 -3.89 0.00 0.00 57.50 54.02 1u38 n TRP 40 Cb 0.23 0.00 0.68 0.00 -1.36 0.00 0.00 31.31 30.87 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 -0.19 0.00 -1.29 -1.67 0.00 -2.03 -3.44 103.07 94.45 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 -3.73 -1.72 -0.08 0.19 7.64 -1.26 -4.96 113.62 109.70 1u38 n SER 42 Ca 0.15 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.07 1u38 n SER 42 Cb 0.95 -0.43 0.39 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.08 -1.37 0.44 2.04 -1.93 -3.38 117.51 114.40 1u38 h ILE 43 Ca 0.00 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 1u38 h ILE 43 Cb 0.86 0.37 -0.24 0.00 -0.74 0.00 0.00 36.82 37.06 1u38 h ILE 43 CO 0.00 0.12 -0.49 -0.76 0.00 0.00 0.00 178.15 177.02 1u38 s LEU 44 N -9.58 -1.10 -0.81 1.44 1.43 -1.26 -5.10 118.68 103.70 1u38 s LEU 44 Ca -0.09 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.30 1u38 s LEU 44 Cb 0.18 1.50 -0.18 0.00 0.03 0.00 0.00 46.19 47.72 1u38 s LEU 44 CO 0.75 -0.28 2.37 -0.81 0.23 0.00 0.00 176.35 178.61 1u38 n PRO 45 N 5.00 0.47 0.00 1.29 -0.04 -1.26 -4.57 135.00 135.90 1u38 n PRO 45 Ca 0.06 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1u38 n PRO 45 Cb 0.52 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 8.02 0.00 -3.75 0.52 5.66 -1.26 -0.10 114.28 123.37 1u38 n THR 46 Ca 0.51 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.43 1u38 n THR 46 Cb 0.37 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.13 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 0.02 0.00 -0.05 1.08 -7.23 -1.26 -4.09 120.40 108.86 1u38 s VAL 47 Ca 0.00 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 1u38 s VAL 47 Cb 0.00 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.20 1u38 s VAL 47 CO 0.00 0.00 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.08 1u38 s ILE 48 N -3.82 0.80 -0.91 -0.62 1.01 0.30 -3.52 121.20 114.44 1u38 s ILE 48 Ca 0.09 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.21 1u38 s ILE 48 Cb -0.04 -0.78 -0.06 0.00 0.01 0.00 0.00 42.46 41.59 1u38 s ILE 48 CO 0.02 0.28 2.00 -0.63 0.00 0.00 0.00 174.94 176.61 1u38 s ILE 49 N 0.82 3.40 -0.63 2.92 1.01 -0.84 -0.69 121.20 127.20 1u38 s ILE 49 Ca -0.12 -0.37 0.25 0.00 0.00 0.00 0.00 60.65 60.41 1u38 s ILE 49 Cb -0.15 -3.94 0.17 0.00 0.01 0.00 0.00 42.46 38.55 1u38 s ILE 49 CO 0.01 -0.83 1.51 0.00 0.00 0.00 0.00 174.94 175.63 1u38 h ALA 50 N 11.33 0.78 -2.73 9.38 0.00 -0.84 -1.94 119.26 135.23 1u38 h ALA 50 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1u38 h ALA 50 Cb 1.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 1u38 h ALA 50 CO 1.19 0.00 -0.04 -0.80 0.00 0.00 0.00 179.25 179.59 1u38 s ASN 51 N -4.64 -0.29 -0.13 0.00 -0.87 -1.07 -4.96 114.94 102.98 1u38 s ASN 51 Ca 0.07 -0.21 -0.10 0.00 -1.57 0.00 0.00 52.86 51.05 1u38 s ASN 51 Cb 0.12 0.48 0.04 0.00 -0.02 0.00 0.00 41.25 41.87 1u38 s ASN 51 CO 0.67 -0.83 0.33 -0.32 -2.57 0.00 0.00 177.10 174.38 1u38 s MET 52 N -3.54 0.37 0.60 -0.60 -2.45 -1.26 0.96 119.30 113.38 1u38 s MET 52 Ca 0.01 0.51 0.29 0.00 -1.25 0.00 0.00 55.69 55.25 1u38 s MET 52 Cb 0.01 0.12 1.54 0.00 1.25 0.00 0.00 34.83 37.76 1u38 s MET 52 CO -0.10 -0.08 1.94 1.98 1.05 0.00 0.00 175.02 179.81 1u38 h MET 53 N 6.01 0.00 -5.60 4.11 4.05 -1.13 -3.46 114.93 118.92 1u38 h MET 53 Ca -0.29 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 58.78 1u38 h MET 53 Cb 1.18 0.00 0.15 0.00 -0.80 0.00 0.00 31.60 32.14 1u38 h MET 53 CO 0.31 0.00 -0.71 0.72 0.23 0.00 0.00 176.91 177.45 1u38 n HIS 54 N -3.56 -2.37 0.00 1.39 8.25 -1.26 -4.65 115.22 113.01 1u38 n HIS 54 Ca 0.05 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 1u38 n HIS 54 Cb 0.54 -4.97 0.00 0.00 1.12 0.00 0.00 29.99 26.68 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 -1.43 0.00 1.33 -1.41 0.00 -1.26 -4.97 105.19 97.45 1u38 n GLY 55 Ca -0.18 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.42 -3.50 0.36 -0.02 0.00 -1.26 -4.16 105.19 96.19 1u38 n GLY 56 Ca 0.00 -1.31 0.18 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.06 1.61 0.11 -1.82 0.57 132.00 132.41 1u38 h PRO 57 Ca -0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1u38 h PRO 57 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1u38 h PRO 57 CO 0.10 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.89 1u38 h ALA 58 N 1.50 0.08 0.07 -0.75 0.00 -1.82 -1.32 119.26 117.03 1u38 h ALA 58 Ca 0.12 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 1u38 h ALA 58 Cb 0.85 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1u38 h ALA 58 CO -0.00 -0.27 -1.15 1.49 0.00 0.00 0.00 179.25 179.32 1u38 h GLU 59 N -0.17 0.59 -0.44 0.00 4.22 -1.50 -2.96 114.58 114.33 1u38 h GLU 59 Ca 0.02 -0.74 0.06 0.00 0.08 0.00 0.00 59.36 58.78 1u38 h GLU 59 Cb 0.30 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1u38 h GLU 59 CO 0.00 1.32 0.15 0.87 -2.18 0.00 0.00 179.01 179.17 1u38 h LYS 60 N 0.29 0.30 0.40 1.92 1.57 -0.95 -3.17 116.57 116.93 1u38 h LYS 60 Ca -0.16 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1u38 h LYS 60 Cb 1.82 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.07 1u38 h LYS 60 CO 0.22 0.20 -0.19 1.03 -0.57 0.00 0.00 179.45 180.13 1u38 h SER 61 N 0.31 -0.46 0.00 0.86 0.87 -1.32 -3.48 113.55 110.33 1u38 h SER 61 Ca 0.21 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1u38 h SER 61 Cb 0.21 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1u38 h SER 61 CO -0.22 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 176.43 1u38 n GLY 62 N -0.53 2.37 0.32 5.77 0.00 -1.12 -4.92 105.19 107.08 1u38 n GLY 62 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 0.86 0.00 -5.37 1.61 1.57 -1.91 -3.40 116.57 109.93 1u38 h LYS 63 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1u38 h LYS 63 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1u38 h LYS 63 CO 0.00 0.00 -0.56 -0.51 -0.57 0.00 0.00 179.45 177.81 1u38 s LEU 64 N -7.66 3.87 -0.07 2.94 1.43 -1.26 -4.98 118.68 112.96 1u38 s LEU 64 Ca -0.05 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1u38 s LEU 64 Cb 0.15 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1u38 s LEU 64 CO 0.55 0.21 0.16 0.54 0.23 0.00 0.00 176.35 178.04 1u38 s ASN 65 N 0.14 -0.14 0.33 2.29 2.20 -1.26 -4.77 114.94 113.72 1u38 s ASN 65 Ca 0.05 0.32 -0.25 0.00 -0.94 0.00 0.00 52.86 52.04 1u38 s ASN 65 Cb -0.12 0.25 -0.14 0.00 -2.00 0.00 0.00 41.25 39.24 1u38 s ASN 65 CO 0.00 -0.11 0.61 -0.38 -2.94 0.00 0.00 177.10 174.28 1u38 n ILE 66 N 3.74 1.78 -0.17 0.54 2.08 -1.26 -3.12 119.36 122.95 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 0.55 -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 1.75 0.91 3.91 7.39 0.00 -0.73 -5.03 105.19 113.40 1u38 n GLY 67 Ca 0.13 -0.07 -0.21 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 -2.06 5.80 -0.38 1.61 1.01 -1.18 -4.92 116.67 116.54 1u38 s ASP 68 Ca 0.00 -0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.09 1u38 s ASP 68 Cb 0.00 -1.39 0.11 0.00 1.01 0.00 0.00 42.92 42.65 1u38 s ASP 68 CO 0.00 -0.21 0.11 -1.10 0.21 0.00 0.00 175.17 174.17 1u38 s GLN 69 N -4.00 1.63 0.38 8.23 -1.52 -0.93 -1.98 119.66 121.48 1u38 s GLN 69 Ca 0.38 -2.02 -0.26 0.00 -1.95 0.00 0.00 55.36 51.52 1u38 s GLN 69 Cb -0.08 -3.27 -0.09 0.00 -0.22 0.00 0.00 33.01 29.35 1u38 s GLN 69 CO 0.28 -0.99 1.14 0.42 -0.25 0.00 0.00 175.29 175.89 1u38 s ILE 70 N 0.70 3.31 -0.00 1.08 1.01 -1.23 -0.91 121.20 125.16 1u38 s ILE 70 Ca 0.12 1.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.87 1u38 s ILE 70 Cb -0.21 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1u38 s ILE 70 CO -0.06 0.11 -0.02 0.23 0.00 0.00 0.00 174.94 175.20 1u38 n MET 71 N 0.21 0.03 -4.95 2.79 2.81 0.38 -4.00 117.12 114.39 1u38 n MET 71 Ca 0.04 0.01 -0.28 0.00 -1.81 0.00 0.00 57.70 55.66 1u38 n MET 71 Cb 0.47 -0.34 -0.15 0.00 -0.71 0.00 0.00 33.22 32.49 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 -4.58 2.67 -0.32 7.83 0.15 -1.24 0.98 113.70 119.19 1u38 s SER 72 Ca -0.01 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.16 1u38 s SER 72 Cb 0.00 -0.27 0.07 0.00 -1.71 0.00 0.00 66.02 64.11 1u38 s SER 72 CO 0.02 0.24 0.04 -0.63 1.20 0.00 0.00 173.24 174.11 1u38 s ILE 73 N -0.64 2.91 -1.77 6.45 1.01 0.64 -1.46 121.20 128.33 1u38 s ILE 73 Ca 0.09 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1u38 s ILE 73 Cb -0.09 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.59 1u38 s ILE 73 CO 0.00 -0.27 0.00 0.59 0.00 0.00 0.00 174.94 175.26 1u38 n ASN 74 N 4.56 -5.33 0.00 3.58 3.02 0.30 -1.73 115.26 119.66 1u38 n ASN 74 Ca -0.09 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1u38 n ASN 74 Cb 0.43 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 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 -0.75 2.35 3.59 7.41 0.00 -1.26 -5.05 105.19 111.47 1u38 n GLY 75 Ca -0.21 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.69 3.42 0.48 2.61 2.01 -0.71 -4.97 115.64 117.80 1u38 s THR 76 Ca 0.00 0.40 -0.21 0.00 0.31 0.00 0.00 61.69 62.19 1u38 s THR 76 Cb 0.00 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 1u38 s THR 76 CO 0.00 -0.47 1.09 -0.55 -0.69 0.00 0.00 174.62 174.00 1u38 s SER 77 N 6.74 6.22 -0.00 3.53 0.15 -1.26 -0.26 113.70 128.81 1u38 s SER 77 Ca 0.79 2.08 0.02 0.00 0.70 0.00 0.00 55.95 59.53 1u38 s SER 77 Cb -0.21 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 1u38 s SER 77 CO 0.31 -0.87 0.06 0.18 1.20 0.00 0.00 173.24 174.12 1u38 n LEU 78 N -0.82 0.06 -4.56 3.45 4.77 0.27 -4.92 117.00 115.26 1u38 n LEU 78 Ca 0.09 -0.38 -0.39 0.00 -0.03 0.00 0.00 56.01 55.30 1u38 n LEU 78 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1u38 n LEU 78 CO 0.43 0.01 1.57 -0.69 -1.33 0.00 0.00 177.39 177.38 1u38 s VAL 79 N -1.39 3.41 0.00 4.08 1.01 -1.25 -2.51 120.40 123.74 1u38 s VAL 79 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1u38 s VAL 79 Cb 0.01 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1u38 s VAL 79 CO 0.07 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.93 1u38 n GLY 80 N 5.62 1.79 3.85 4.51 0.00 0.86 -4.97 105.19 116.85 1u38 n GLY 80 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 3.93 0.00 0.99 2.34 -1.05 -5.08 118.68 119.82 1u38 s LEU 81 Ca 0.00 -0.13 -0.05 0.00 0.06 0.00 0.00 54.13 54.01 1u38 s LEU 81 Cb 0.00 -2.49 0.07 0.00 -0.56 0.00 0.00 46.19 43.21 1u38 s LEU 81 CO 0.00 -0.00 0.22 -0.81 -1.06 0.00 0.00 176.35 174.70 1u38 n PRO 82 N -0.92 -1.72 0.03 1.48 -0.04 -1.26 -4.73 135.00 127.84 1u38 n PRO 82 Ca -0.08 -0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 62.83 1u38 n PRO 82 Cb 0.56 -0.36 -0.13 0.00 -0.04 0.00 0.00 33.50 33.54 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 0.50 -0.93 1.53 5.85 -1.93 -3.03 115.31 117.29 1u38 h LEU 83 Ca -0.09 -0.87 0.14 0.00 0.84 0.00 0.00 57.88 57.91 1u38 h LEU 83 Cb 0.27 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 1u38 h LEU 83 CO 0.06 1.32 0.55 0.28 -0.34 0.00 0.00 178.44 180.30 1u38 h SER 84 N -0.24 0.75 0.22 1.25 0.02 -1.95 0.19 113.55 113.78 1u38 h SER 84 Ca -0.11 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1u38 h SER 84 Cb 1.50 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1u38 h SER 84 CO 0.14 0.35 -0.11 0.74 -1.14 0.00 0.00 176.83 176.82 1u38 h THR 85 N 0.81 0.85 -0.17 -2.27 2.02 -1.93 -2.29 112.91 109.93 1u38 h THR 85 Ca 0.49 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1u38 h THR 85 Cb 0.60 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1u38 h THR 85 CO -0.31 0.09 -0.04 0.00 0.37 0.00 0.00 175.52 175.63 1u38 h GLN 87 N -0.00 0.48 -0.68 0.00 4.20 -0.64 0.48 115.11 118.95 1u38 h GLN 87 Ca 0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1u38 h GLN 87 Cb 0.13 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1u38 h GLN 87 CO -0.18 0.32 0.38 0.77 -0.67 0.00 0.00 178.83 179.45 1u38 h SER 88 N 0.50 0.82 -0.07 1.46 0.02 -0.70 -1.36 113.55 114.22 1u38 h SER 88 Ca 0.50 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.40 1u38 h SER 88 Cb 0.83 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1u38 h SER 88 CO -0.44 0.66 -0.00 0.40 -1.14 0.00 0.00 176.83 176.30 1u38 h ILE 89 N 0.94 0.95 0.02 3.27 1.08 0.76 -1.41 117.51 123.11 1u38 h ILE 89 Ca 0.24 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.70 1u38 h ILE 89 Cb 0.01 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 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 -0.18 -0.67 2.04 -1.15 -2.98 117.51 115.91 1u38 h ILE 90 Ca 0.03 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.91 1u38 h ILE 90 Cb 0.04 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1u38 h ILE 90 CO -0.06 0.27 0.22 0.07 0.00 0.00 0.00 178.15 178.64 1u38 h LYS 91 N -0.47 0.00 -0.26 2.37 5.09 -1.24 -1.18 116.57 120.87 1u38 h LYS 91 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.71 1u38 h LYS 91 Cb 0.45 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.77 1u38 h LYS 91 CO 0.00 0.00 0.06 0.78 -2.09 0.00 0.00 179.45 178.20 1u38 h GLY 92 N 0.00 0.46 -6.14 0.07 0.00 -1.09 -3.26 103.07 93.11 1u38 h GLY 92 Ca 0.09 -0.30 -0.75 0.00 0.00 0.00 0.00 47.33 46.38 1u38 h GLY 92 CO -0.00 0.27 2.27 1.47 0.00 0.00 0.00 176.54 180.55 1u38 n LEU 93 N -4.69 7.14 0.04 3.11 -0.00 -0.45 -4.61 117.00 117.54 1u38 n LEU 93 Ca -0.03 -4.68 -0.22 0.00 -0.00 0.00 0.00 56.01 51.08 1u38 n LEU 93 Cb 0.19 -1.46 -0.14 0.00 -0.00 0.00 0.00 43.42 42.01 1u38 n LEU 93 CO 0.37 1.58 -0.60 0.50 -0.00 0.00 0.00 177.39 179.24 1u38 h LYS 94 N 5.41 0.32 -2.01 1.47 3.64 -1.71 -3.37 116.57 120.33 1u38 h LYS 94 Ca 0.51 -0.55 -0.45 0.00 -1.27 0.00 0.00 60.65 58.88 1u38 h LYS 94 Cb 0.53 0.21 -0.16 0.00 -0.41 0.00 0.00 32.23 32.39 1u38 h LYS 94 CO 1.61 1.26 0.28 0.09 -2.27 0.00 0.00 179.45 180.43 1u38 n ASN 95 N -3.64 6.28 -4.77 4.20 3.02 -1.26 -4.01 115.26 115.08 1u38 n ASN 95 Ca -0.27 -3.08 -0.30 0.00 -0.03 0.00 0.00 54.58 50.89 1u38 n ASN 95 Cb 1.03 -1.27 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1u38 n ASN 95 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1u38 s GLN 96 N -1.25 2.86 0.00 3.52 -0.21 -1.26 -4.88 119.66 118.45 1u38 s GLN 96 Ca 0.60 -0.71 0.25 0.00 0.02 0.00 0.00 55.36 55.52 1u38 s GLN 96 Cb 0.37 -2.71 0.43 0.00 1.00 0.00 0.00 33.01 32.10 1u38 s GLN 96 CO -0.19 0.56 1.36 -1.13 -2.12 0.00 0.00 175.29 173.77 1u38 n SER 97 N 0.40 0.85 -3.59 5.90 3.41 -1.26 -3.90 113.62 115.43 1u38 n SER 97 Ca -0.09 -0.65 -0.12 0.00 -0.26 0.00 0.00 58.87 57.76 1u38 n SER 97 Cb 0.52 0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.75 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 -2.81 0.66 -0.37 4.33 1.04 -1.25 -0.62 118.95 119.93 1u38 s ARG 98 Ca 0.15 0.41 -0.04 0.00 -1.04 0.00 0.00 55.73 55.21 1u38 s ARG 98 Cb 0.18 0.32 0.08 0.00 -2.04 0.00 0.00 34.95 33.48 1u38 s ARG 98 CO 0.66 -0.16 0.14 0.08 -0.04 0.00 0.00 175.30 175.98 1u38 s VAL 99 N -0.50 3.36 -0.22 4.99 1.01 0.14 -4.88 120.40 124.29 1u38 s VAL 99 Ca -0.01 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.05 1u38 s VAL 99 Cb -0.02 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1u38 s VAL 99 CO 0.00 -0.44 0.82 -0.75 0.00 0.00 0.00 175.10 174.73 1u38 s LYS 100 N 1.24 4.21 0.04 2.72 2.47 -1.26 -1.69 119.74 127.47 1u38 s LYS 100 Ca 0.02 0.94 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 1u38 s LYS 100 Cb -0.21 -3.62 -0.03 0.00 -1.46 0.00 0.00 37.83 32.50 1u38 s LYS 100 CO -0.02 -0.45 -0.04 -0.51 0.16 0.00 0.00 175.35 174.49 1u38 s LEU 101 N 2.61 2.35 -0.49 5.43 1.43 -0.51 0.11 118.68 129.61 1u38 s LEU 101 Ca 0.35 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1u38 s LEU 101 Cb -0.16 0.07 0.13 0.00 0.03 0.00 0.00 46.19 46.27 1u38 s LEU 101 CO 0.09 -0.40 0.25 0.20 0.23 0.00 0.00 176.35 176.72 1u38 s ASN 102 N -2.13 4.04 0.44 2.29 0.02 -0.54 0.11 114.94 119.18 1u38 s ASN 102 Ca -0.05 -2.86 0.07 0.00 -1.02 0.00 0.00 52.86 49.01 1u38 s ASN 102 Cb -0.02 -1.39 -0.01 0.00 0.02 0.00 0.00 41.25 39.84 1u38 s ASN 102 CO -0.04 -0.24 0.37 0.27 0.02 0.00 0.00 177.10 177.47 1u38 s ILE 103 N -0.04 2.47 -0.22 0.60 -4.36 -0.82 -0.47 121.20 118.37 1u38 s ILE 103 Ca 0.17 -1.40 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 1u38 s ILE 103 Cb -0.25 -2.87 0.05 0.00 1.25 0.00 0.00 42.46 40.64 1u38 s ILE 103 CO -0.00 0.00 -0.11 -0.69 0.24 0.00 0.00 174.94 174.38 1u38 s VAL 104 N -2.53 1.82 -2.00 8.37 1.01 -0.09 0.11 120.40 127.08 1u38 s VAL 104 Ca 0.46 -1.18 0.16 0.00 0.00 0.00 0.00 61.98 61.41 1u38 s VAL 104 Cb -0.02 -1.89 0.45 0.00 0.00 0.00 0.00 36.38 34.92 1u38 s VAL 104 CO 0.27 0.13 1.35 0.54 0.00 0.00 0.00 175.10 177.39