#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 2.27 -3.63 4.31 3.01 -1.26 0.19 117.46 122.35 1u38 n PHE 18 Ca 0.00 0.46 -0.04 0.00 1.01 0.00 0.00 57.45 58.88 1u38 n PHE 18 Cb 0.00 -2.38 -0.06 0.00 -0.01 0.00 0.00 39.48 37.03 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 -2.47 0.60 -0.52 -1.08 0.00 0.33 -4.83 119.74 111.77 1u38 s LYS 19 Ca 0.64 1.23 -0.28 0.00 0.00 0.00 0.00 55.97 57.57 1u38 s LYS 19 Cb -0.46 0.43 -0.01 0.00 0.00 0.00 0.00 37.83 37.79 1u38 s LYS 19 CO 0.55 -0.16 1.65 -0.51 0.00 0.00 0.00 175.35 176.88 1u38 s ASP 20 N 2.13 5.80 0.16 0.03 1.11 -1.26 -2.12 116.67 122.53 1u38 s ASP 20 Ca -0.08 0.55 -0.22 0.00 0.18 0.00 0.00 52.55 52.98 1u38 s ASP 20 Cb -0.08 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.30 1u38 s ASP 20 CO -0.19 -1.92 0.71 -0.69 1.18 0.00 0.00 175.17 174.26 1u38 s VAL 21 N 7.21 4.51 -0.26 -1.27 1.01 0.38 -4.89 120.40 127.09 1u38 s VAL 21 Ca 0.64 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 64.07 1u38 s VAL 21 Cb -0.14 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.32 1u38 s VAL 21 CO 0.26 0.44 0.06 0.12 0.00 0.00 0.00 175.10 175.97 1u38 s PHE 22 N -1.25 1.52 -0.48 5.22 5.36 -1.26 -0.39 117.98 126.70 1u38 s PHE 22 Ca 0.36 -1.41 -0.09 0.00 -0.96 0.00 0.00 56.93 54.83 1u38 s PHE 22 Cb -0.20 -1.44 0.12 0.00 -0.34 0.00 0.00 43.02 41.16 1u38 s PHE 22 CO 0.23 -0.77 0.36 0.42 -1.46 0.00 0.00 175.22 174.00 1u38 s ILE 23 N 1.68 4.25 -0.48 3.12 -1.09 -0.40 -4.92 121.20 123.36 1u38 s ILE 23 Ca 0.04 -1.81 -0.29 0.00 -2.23 0.00 0.00 60.65 56.36 1u38 s ILE 23 Cb -0.17 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1u38 s ILE 23 CO -0.17 -0.79 1.17 -1.61 -1.23 0.00 0.00 174.94 172.31 1u38 s GLU 24 N 1.32 3.70 0.02 2.79 8.01 -1.26 -0.92 118.70 132.36 1u38 s GLU 24 Ca 0.06 0.58 0.00 0.00 0.01 0.00 0.00 54.97 55.63 1u38 s GLU 24 Cb -0.26 -3.92 -0.00 0.00 -4.31 0.00 0.00 34.13 25.64 1u38 s GLU 24 CO -0.01 -1.42 0.01 0.36 0.01 0.00 0.00 175.26 174.21 1u38 n LYS 25 N 7.90 0.68 -4.60 1.61 2.85 -0.40 -4.97 118.16 121.23 1u38 n LYS 25 Ca 0.12 -0.14 -0.27 0.00 -1.05 0.00 0.00 58.31 56.97 1u38 n LYS 25 Cb 0.49 0.09 -0.11 0.00 -0.65 0.00 0.00 35.03 34.85 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 -2.06 1.92 0.91 -1.58 -1.52 -1.26 -4.15 119.66 111.92 1u38 s GLN 26 Ca 0.01 -2.09 -0.11 0.00 -1.95 0.00 0.00 55.36 51.22 1u38 s GLN 26 Cb 0.00 -1.52 0.14 0.00 -0.22 0.00 0.00 33.01 31.41 1u38 s GLN 26 CO 0.01 -0.08 1.11 0.15 -0.25 0.00 0.00 175.29 176.22 1u38 s LYS 27 N -3.74 1.12 -2.17 2.91 1.02 -1.25 -2.97 119.74 114.65 1u38 s LYS 27 Ca 0.34 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.57 1u38 s LYS 27 Cb 0.09 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 1u38 s LYS 27 CO 0.17 -2.46 0.00 0.41 -0.92 0.00 0.00 175.35 172.55 1u38 n GLY 28 N -0.31 1.93 1.41 -3.33 0.00 -1.20 -4.79 105.19 98.91 1u38 n GLY 28 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.36 0.98 0.00 1.61 1.02 -1.16 -5.03 120.64 115.70 1u38 n GLU 29 Ca -0.21 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.18 1u38 n GLU 29 Cb 0.67 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 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 -0.24 0.00 0.00 -3.67 -5.35 -1.25 -4.41 119.36 104.44 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 0.95 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 -1.20 7.28 7.94 -1.26 -4.79 117.00 124.97 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 0.89 3.21 -3.96 0.00 -1.26 -1.64 105.19 102.44 1u38 n GLY 32 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.80 0.11 -0.12 1.61 -7.23 -1.26 -0.05 120.40 110.65 1u38 s VAL 33 Ca 0.00 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1u38 s VAL 33 Cb 0.00 -1.08 0.02 0.00 0.56 0.00 0.00 36.38 35.87 1u38 s VAL 33 CO 0.00 -0.51 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.44 1u38 s VAL 34 N -3.10 1.50 0.04 1.32 1.01 0.32 -4.88 120.40 116.61 1u38 s VAL 34 Ca -0.01 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1u38 s VAL 34 Cb 0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1u38 s VAL 34 CO -0.07 0.44 -0.13 0.27 0.00 0.00 0.00 175.10 175.61 1u38 s ILE 35 N 1.15 3.15 0.17 2.22 -4.36 -1.26 0.38 121.20 122.65 1u38 s ILE 35 Ca -0.03 -1.07 -0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1u38 s ILE 35 Cb -0.14 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 1u38 s ILE 35 CO -0.04 0.32 0.07 0.68 0.24 0.00 0.00 174.94 176.20 1u38 s VAL 36 N -1.00 0.27 0.23 8.37 -7.23 0.14 -4.83 120.40 116.35 1u38 s VAL 36 Ca 0.16 -1.96 -0.32 0.00 -1.81 0.00 0.00 61.98 58.06 1u38 s VAL 36 Cb -0.11 -2.24 -0.13 0.00 0.56 0.00 0.00 36.38 34.46 1u38 s VAL 36 CO 0.07 -0.31 1.48 -0.62 -0.31 0.00 0.00 175.10 175.42 1u38 n GLU 37 N -0.21 2.19 -2.38 4.82 1.02 -1.26 0.10 120.64 124.92 1u38 n GLU 37 Ca -0.03 0.78 -0.37 0.00 -0.02 0.00 0.00 57.16 57.52 1u38 n GLU 37 Cb 0.64 -2.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.55 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 0.47 6.10 0.00 1.62 1.04 -1.26 -4.61 113.70 117.06 1u38 s SER 38 Ca 0.70 -1.81 0.30 0.00 0.48 0.00 0.00 55.95 55.62 1u38 s SER 38 Cb -0.62 -2.58 1.40 0.00 0.10 0.00 0.00 66.02 64.32 1u38 s SER 38 CO 0.47 -1.92 2.00 0.61 0.98 0.00 0.00 173.24 175.37 1u38 n GLY 39 N 6.02 -1.35 0.00 7.32 0.00 -1.26 -4.53 105.19 111.39 1u38 n GLY 39 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.35 -0.92 -0.02 1.61 4.27 -1.26 -4.66 117.44 115.10 1u38 n TRP 40 Ca 0.12 0.00 0.24 0.00 -3.89 0.00 0.00 57.50 53.96 1u38 n TRP 40 Cb 0.28 0.00 0.69 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 -0.16 0.00 -1.86 -1.67 0.00 -2.04 -3.45 103.07 93.90 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 -3.70 -1.93 -0.35 0.19 7.64 -1.26 -4.97 113.62 109.24 1u38 n SER 42 Ca 0.13 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.99 1u38 n SER 42 Cb 0.88 -0.48 0.11 0.00 -1.01 0.00 0.00 64.21 63.70 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 1.22 -1.72 0.44 2.04 -1.93 -3.37 117.51 114.19 1u38 h ILE 43 Ca 0.00 -0.43 -0.32 0.00 1.00 0.00 0.00 64.86 65.11 1u38 h ILE 43 Cb 0.97 -0.15 -0.28 0.00 -0.74 0.00 0.00 36.82 36.61 1u38 h ILE 43 CO 0.00 0.23 -0.66 -0.76 0.00 0.00 0.00 178.15 176.96 1u38 s LEU 44 N -10.13 -0.31 -0.95 1.44 1.02 -1.26 -5.09 118.68 103.39 1u38 s LEU 44 Ca -0.13 -1.64 -0.21 0.00 0.02 0.00 0.00 54.13 52.18 1u38 s LEU 44 Cb 0.18 0.85 -0.26 0.00 0.02 0.00 0.00 46.19 46.98 1u38 s LEU 44 CO 0.81 -0.21 2.42 -0.81 0.02 0.00 0.00 176.35 178.58 1u38 n PRO 45 N 3.96 0.11 0.00 1.29 -0.04 -1.26 -4.59 135.00 134.46 1u38 n PRO 45 Ca 0.14 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1u38 n PRO 45 Cb 0.49 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 6.74 0.00 -3.74 0.52 5.66 -1.26 0.11 114.28 122.31 1u38 n THR 46 Ca 0.64 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.55 1u38 n THR 46 Cb 0.14 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.90 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 0.29 0.00 -0.05 1.08 -7.23 -1.26 -4.11 120.40 109.11 1u38 s VAL 47 Ca 0.00 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1u38 s VAL 47 Cb 0.00 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.23 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 -3.86 0.83 -0.76 -0.62 1.01 0.28 -3.42 121.20 114.66 1u38 s ILE 48 Ca 0.08 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.18 1u38 s ILE 48 Cb -0.05 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 1u38 s ILE 48 CO 0.02 0.29 1.98 -0.63 0.00 0.00 0.00 174.94 176.59 1u38 s ILE 49 N 0.78 3.35 -2.27 2.92 1.01 -0.79 -0.69 121.20 125.52 1u38 s ILE 49 Ca -0.13 -0.11 0.26 0.00 0.00 0.00 0.00 60.65 60.67 1u38 s ILE 49 Cb -0.15 -3.85 0.31 0.00 0.01 0.00 0.00 42.46 38.78 1u38 s ILE 49 CO 0.02 -0.81 1.50 0.00 0.00 0.00 0.00 174.94 175.65 1u38 n ALA 50 N 13.99 2.88 -3.53 9.38 0.00 0.16 -1.72 120.51 141.67 1u38 n ALA 50 Ca 0.33 -0.51 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 1u38 n ALA 50 Cb 0.49 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.24 -0.29 -0.26 0.00 0.01 -1.07 -4.95 114.94 106.14 1u38 s ASN 51 Ca 0.29 0.00 -0.22 0.00 -0.71 0.00 0.00 52.86 52.21 1u38 s ASN 51 Cb 0.20 0.30 0.07 0.00 0.41 0.00 0.00 41.25 42.23 1u38 s ASN 51 CO 0.43 -0.49 0.68 -0.04 -1.51 0.00 0.00 177.10 176.17 1u38 s MET 52 N -2.88 0.78 -0.52 -0.60 -1.94 -1.26 0.12 119.30 113.00 1u38 s MET 52 Ca 0.06 0.98 -0.28 0.00 -1.71 0.00 0.00 55.69 54.75 1u38 s MET 52 Cb -0.01 0.35 -0.00 0.00 2.01 0.00 0.00 34.83 37.18 1u38 s MET 52 CO -0.08 -0.10 1.60 -1.64 -0.01 0.00 0.00 175.02 174.79 1u38 s MET 53 N 0.53 3.16 -0.74 2.03 -1.94 0.92 -4.89 119.30 118.38 1u38 s MET 53 Ca -0.01 0.72 -0.25 0.00 -1.71 0.00 0.00 55.69 54.44 1u38 s MET 53 Cb -0.05 -4.20 -0.21 0.00 2.01 0.00 0.00 34.83 32.39 1u38 s MET 53 CO -0.02 -2.09 1.88 0.72 -0.01 0.00 0.00 175.02 175.50 1u38 n HIS 54 N 10.44 1.49 0.00 -0.03 8.25 -1.26 -2.06 115.22 132.05 1u38 n HIS 54 Ca 0.17 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.48 1u38 n HIS 54 Cb 0.49 -1.85 0.00 0.00 1.12 0.00 0.00 29.99 29.75 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 5.21 0.56 3.36 -1.41 0.00 -1.26 -5.04 105.19 106.61 1u38 n GLY 55 Ca 0.46 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.49 0.22 -0.02 0.00 -0.87 -4.63 105.19 97.40 1u38 n GLY 56 Ca 0.00 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.03 1.61 0.11 -1.83 -1.40 132.00 130.45 1u38 h PRO 57 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1u38 h PRO 57 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1u38 h PRO 57 CO 0.26 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.00 1u38 h ALA 58 N 1.89 0.05 0.05 -0.75 0.00 -1.58 -2.18 119.26 116.75 1u38 h ALA 58 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 54.91 54.37 1u38 h ALA 58 Cb 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1u38 h ALA 58 CO 0.00 -0.15 -1.08 1.49 0.00 0.00 0.00 179.25 179.51 1u38 h GLU 59 N -0.39 0.46 -0.40 0.00 4.81 -1.57 -3.06 114.58 114.43 1u38 h GLU 59 Ca 0.00 -0.57 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1u38 h GLU 59 Cb 0.57 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1u38 h GLU 59 CO 0.01 1.21 0.19 0.87 -0.73 0.00 0.00 179.01 180.56 1u38 h LYS 60 N 0.23 0.37 0.38 1.92 1.57 -1.34 -3.21 116.57 116.49 1u38 h LYS 60 Ca -0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1u38 h LYS 60 Cb 1.74 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1u38 h LYS 60 CO 0.19 0.25 -0.18 0.77 -0.57 0.00 0.00 179.45 179.91 1u38 h SER 61 N 0.38 -0.43 0.00 0.86 0.02 -1.46 -3.48 113.55 109.44 1u38 h SER 61 Ca 0.17 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1u38 h SER 61 Cb 0.09 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1u38 h SER 61 CO -0.13 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 1u38 n GLY 62 N -0.80 2.80 0.35 -3.77 0.00 -1.16 -4.93 105.19 97.70 1u38 n GLY 62 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 1.40 0.62 -4.99 1.61 1.57 -1.92 -3.38 116.57 111.48 1u38 h LYS 63 Ca 0.00 -0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 58.10 1u38 h LYS 63 Cb 0.00 -0.14 -0.16 0.00 0.08 0.00 0.00 32.23 32.01 1u38 h LYS 63 CO 0.00 0.41 -0.34 -0.51 -0.57 0.00 0.00 179.45 178.44 1u38 s LEU 64 N -9.60 4.20 -0.00 2.94 1.43 -1.26 -5.01 118.68 111.38 1u38 s LEU 64 Ca -0.09 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1u38 s LEU 64 Cb 0.20 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1u38 s LEU 64 CO 0.77 -0.21 -0.14 0.20 0.23 0.00 0.00 176.35 177.20 1u38 s ASN 65 N 1.71 1.69 0.36 2.29 0.01 -1.26 -4.81 114.94 114.93 1u38 s ASN 65 Ca 0.11 -0.30 -0.25 0.00 -0.71 0.00 0.00 52.86 51.72 1u38 s ASN 65 Cb -0.16 -0.17 -0.13 0.00 0.41 0.00 0.00 41.25 41.19 1u38 s ASN 65 CO 0.11 0.15 0.74 -0.38 -1.51 0.00 0.00 177.10 176.21 1u38 n ILE 66 N 2.57 1.97 -0.32 0.60 2.08 -1.26 -2.84 119.36 122.15 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 0.55 -0.70 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 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 1.56 0.84 3.94 7.39 0.00 -0.70 -5.01 105.19 113.20 1u38 n GLY 67 Ca 0.11 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 6.02 -0.38 1.61 1.01 -1.13 -4.92 116.67 116.84 1u38 s ASP 68 Ca 0.00 -0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.22 1u38 s ASP 68 Cb 0.00 -1.58 0.11 0.00 1.01 0.00 0.00 42.92 42.45 1u38 s ASP 68 CO 0.00 -0.15 0.09 -1.10 0.21 0.00 0.00 175.17 174.22 1u38 s GLN 69 N -3.99 1.58 0.40 8.23 -1.52 -0.95 -1.88 119.66 121.53 1u38 s GLN 69 Ca 0.36 -2.03 -0.26 0.00 -1.95 0.00 0.00 55.36 51.49 1u38 s GLN 69 Cb -0.09 -3.23 -0.08 0.00 -0.22 0.00 0.00 33.01 29.39 1u38 s GLN 69 CO 0.28 -0.97 1.25 0.42 -0.25 0.00 0.00 175.29 176.02 1u38 s ILE 70 N 0.66 2.83 -0.00 1.08 1.01 -1.22 -1.68 121.20 123.87 1u38 s ILE 70 Ca 0.12 0.72 -0.02 0.00 0.00 0.00 0.00 60.65 61.47 1u38 s ILE 70 Cb -0.20 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 1u38 s ILE 70 CO -0.06 0.09 -0.05 0.23 0.00 0.00 0.00 174.94 175.15 1u38 n MET 71 N 0.10 0.07 -4.89 2.79 2.81 0.84 -4.00 117.12 114.84 1u38 n MET 71 Ca 0.04 0.03 -0.26 0.00 -1.81 0.00 0.00 57.70 55.70 1u38 n MET 71 Cb 0.45 -0.42 -0.16 0.00 -0.71 0.00 0.00 33.22 32.38 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 -5.04 2.20 -0.33 7.83 0.15 -1.20 0.13 113.70 117.44 1u38 s SER 72 Ca -0.04 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1u38 s SER 72 Cb 0.01 -0.37 0.06 0.00 -1.71 0.00 0.00 66.02 64.00 1u38 s SER 72 CO 0.06 0.21 0.07 -0.63 1.20 0.00 0.00 173.24 174.14 1u38 s ILE 73 N -0.28 3.29 -2.15 6.45 1.01 -0.23 -0.67 121.20 128.63 1u38 s ILE 73 Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1u38 s ILE 73 Cb -0.09 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1u38 s ILE 73 CO 0.00 -0.23 0.00 0.59 0.00 0.00 0.00 174.94 175.31 1u38 n ASN 74 N 4.68 -5.50 0.00 3.58 3.02 0.30 -1.78 115.26 119.56 1u38 n ASN 74 Ca -0.11 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1u38 n ASN 74 Cb 0.43 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 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 -0.46 1.73 3.57 7.41 0.00 -1.26 -5.06 105.19 111.13 1u38 n GLY 75 Ca -0.21 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.71 3.31 0.48 2.61 2.01 -0.73 -4.95 115.64 117.65 1u38 s THR 76 Ca 0.00 0.25 -0.22 0.00 0.31 0.00 0.00 61.69 62.02 1u38 s THR 76 Cb 0.00 -3.60 -0.07 0.00 0.01 0.00 0.00 72.50 68.84 1u38 s THR 76 CO 0.00 -0.51 1.20 -0.94 -0.69 0.00 0.00 174.62 173.68 1u38 s SER 77 N 8.20 5.98 0.00 3.53 1.04 -1.26 -1.07 113.70 130.12 1u38 s SER 77 Ca 0.80 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.60 1u38 s SER 77 Cb -0.18 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1u38 s SER 77 CO 0.27 -1.05 0.00 0.18 0.98 0.00 0.00 173.24 173.62 1u38 n LEU 78 N -0.63 0.00 -4.55 2.42 4.77 0.35 -4.90 117.00 114.46 1u38 n LEU 78 Ca 0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1u38 n LEU 78 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1u38 n LEU 78 CO 0.48 0.00 1.34 0.55 -1.33 0.00 0.00 177.39 178.44 1u38 n VAL 79 N -1.92 0.00 0.00 4.08 3.14 -1.24 -0.95 118.33 121.45 1u38 n VAL 79 Ca 0.00 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 1u38 n VAL 79 Cb 0.42 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.53 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 6.58 1.07 3.96 7.55 0.00 0.31 -4.90 105.19 119.76 1u38 n GLY 80 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.32 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 4.10 0.00 0.99 2.34 -0.12 -5.05 118.68 120.94 1u38 s LEU 81 Ca 0.00 -0.09 -0.04 0.00 0.06 0.00 0.00 54.13 54.06 1u38 s LEU 81 Cb 0.00 -2.74 0.06 0.00 -0.56 0.00 0.00 46.19 42.95 1u38 s LEU 81 CO 0.00 -0.23 0.17 -0.81 -1.06 0.00 0.00 176.35 174.42 1u38 n PRO 82 N -1.48 -1.72 -0.06 1.48 -0.04 -1.26 -4.69 135.00 127.23 1u38 n PRO 82 Ca -0.05 -0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.00 1u38 n PRO 82 Cb 0.58 -0.29 -0.12 0.00 -0.04 0.00 0.00 33.50 33.63 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 -1.35 1.53 6.46 -1.95 -3.06 115.31 116.93 1u38 h LEU 83 Ca -0.07 -0.88 0.17 0.00 -0.12 0.00 0.00 57.88 56.98 1u38 h LEU 83 Cb 0.21 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.07 1u38 h LEU 83 CO 0.04 0.90 0.58 0.77 -0.62 0.00 0.00 178.44 180.11 1u38 h SER 84 N -0.93 0.56 0.05 1.25 4.64 -1.97 -0.14 113.55 117.02 1u38 h SER 84 Ca -0.00 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1u38 h SER 84 Cb 0.88 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1u38 h SER 84 CO 0.00 0.26 -0.03 0.74 -0.87 0.00 0.00 176.83 176.93 1u38 h THR 85 N 0.58 1.17 -0.19 2.95 2.02 -1.94 -2.48 112.91 115.03 1u38 h THR 85 Ca 0.47 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.91 1u38 h THR 85 Cb 0.91 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1u38 h THR 85 CO -0.21 0.19 -0.03 0.00 0.37 0.00 0.00 175.52 175.85 1u38 h GLN 87 N 0.03 0.04 -0.90 0.00 4.20 -1.08 0.21 115.11 117.60 1u38 h GLN 87 Ca 0.09 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.92 1u38 h GLN 87 Cb 0.13 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 1u38 h GLN 87 CO -0.18 0.02 0.58 1.03 -0.67 0.00 0.00 178.83 179.62 1u38 h SER 88 N 0.04 0.76 -0.17 1.46 0.87 -0.92 -0.83 113.55 114.76 1u38 h SER 88 Ca 0.25 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1u38 h SER 88 Cb 0.39 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1u38 h SER 88 CO -0.49 0.42 0.03 0.40 -0.53 0.00 0.00 176.83 176.65 1u38 h ILE 89 N 0.82 0.92 0.01 2.23 1.08 0.11 -0.79 117.51 121.89 1u38 h ILE 89 Ca 0.44 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.87 1u38 h ILE 89 Cb 0.54 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1u38 h ILE 89 CO -0.20 0.02 -0.01 0.40 -0.69 0.00 0.00 178.15 177.67 1u38 h ILE 90 N 0.09 1.28 0.00 -0.67 2.04 -0.80 -2.89 117.51 116.56 1u38 h ILE 90 Ca 0.08 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1u38 h ILE 90 Cb 0.08 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1u38 h ILE 90 CO -0.11 0.23 0.00 0.07 0.00 0.00 0.00 178.15 178.34 1u38 h LYS 91 N -0.40 0.00 0.00 2.37 2.10 -1.13 -0.60 116.57 118.91 1u38 h LYS 91 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1u38 h LYS 91 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1u38 h LYS 91 CO 0.00 0.00 0.00 0.78 -2.00 0.00 0.00 179.45 178.23 1u38 h GLY 92 N 0.21 0.00 -4.77 0.07 0.00 -0.91 -3.07 103.07 94.59 1u38 h GLY 92 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1u38 h GLY 92 CO 0.00 0.00 -0.39 1.47 0.00 0.00 0.00 176.54 177.62 1u38 n LEU 93 N -2.96 5.19 0.08 3.11 -0.00 -0.23 -4.75 117.00 117.44 1u38 n LEU 93 Ca -0.00 -5.24 -0.07 0.00 -0.00 0.00 0.00 56.01 50.70 1u38 n LEU 93 Cb 0.23 -0.59 -0.07 0.00 -0.00 0.00 0.00 43.42 42.99 1u38 n LEU 93 CO 0.24 2.18 0.19 0.50 -0.00 0.00 0.00 177.39 180.50 1u38 h LYS 94 N 2.76 0.04 -1.03 1.47 3.64 -1.68 -3.24 116.57 118.53 1u38 h LYS 94 Ca 0.32 -0.06 -0.50 0.00 -1.27 0.00 0.00 60.65 59.14 1u38 h LYS 94 Cb 0.70 0.02 -0.27 0.00 -0.41 0.00 0.00 32.23 32.27 1u38 h LYS 94 CO 0.95 0.96 0.64 0.27 -2.27 0.00 0.00 179.45 179.99 1u38 n ASN 95 N -3.46 4.65 -4.93 4.20 0.23 -1.26 -3.20 115.26 111.48 1u38 n ASN 95 Ca -0.01 -3.48 -0.26 0.00 -0.53 0.00 0.00 54.58 50.29 1u38 n ASN 95 Cb 0.89 -0.85 -0.03 0.00 -2.08 0.00 0.00 39.78 37.71 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 -3.05 3.53 -0.01 -3.83 -0.21 -1.23 -4.73 119.66 110.13 1u38 s GLN 96 Ca 0.52 -0.31 0.17 0.00 0.02 0.00 0.00 55.36 55.76 1u38 s GLN 96 Cb 0.43 -2.78 -0.21 0.00 1.00 0.00 0.00 33.01 31.46 1u38 s GLN 96 CO 0.07 0.33 0.61 -1.13 -2.12 0.00 0.00 175.29 173.05 1u38 n SER 97 N -0.95 0.87 -3.70 5.90 3.41 -1.26 -3.86 113.62 114.03 1u38 n SER 97 Ca -0.05 -0.64 -0.12 0.00 -0.26 0.00 0.00 58.87 57.81 1u38 n SER 97 Cb 0.54 1.22 -0.12 0.00 -0.26 0.00 0.00 64.21 65.60 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 -2.75 0.25 -0.39 4.33 6.06 -1.26 -1.27 118.95 123.93 1u38 s ARG 98 Ca 0.03 0.70 -0.06 0.00 -2.50 0.00 0.00 55.73 53.90 1u38 s ARG 98 Cb 0.12 -0.03 0.08 0.00 0.06 0.00 0.00 34.95 35.18 1u38 s ARG 98 CO 0.69 -0.20 0.18 0.08 -2.50 0.00 0.00 175.30 173.55 1u38 s VAL 99 N 1.70 3.67 -0.15 7.11 1.01 -0.10 -4.95 120.40 128.69 1u38 s VAL 99 Ca -0.06 -1.57 -0.19 0.00 0.00 0.00 0.00 61.98 60.16 1u38 s VAL 99 Cb -0.10 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1u38 s VAL 99 CO -0.10 -0.46 0.51 -0.75 0.00 0.00 0.00 175.10 174.31 1u38 s LYS 100 N 1.30 4.29 0.03 2.72 2.20 -1.26 -1.27 119.74 127.76 1u38 s LYS 100 Ca 0.03 0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 56.10 1u38 s LYS 100 Cb -0.22 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 1u38 s LYS 100 CO -0.00 0.03 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.48 1u38 s LEU 101 N 1.05 2.31 -0.48 5.43 1.43 0.48 0.11 118.68 129.00 1u38 s LEU 101 Ca 0.26 -0.72 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1u38 s LEU 101 Cb -0.15 0.19 0.13 0.00 0.03 0.00 0.00 46.19 46.38 1u38 s LEU 101 CO 0.11 -0.45 0.23 0.20 0.23 0.00 0.00 176.35 176.66 1u38 s ASN 102 N -2.16 4.24 0.45 2.29 0.02 0.15 0.14 114.94 120.08 1u38 s ASN 102 Ca -0.05 -2.81 0.06 0.00 -1.02 0.00 0.00 52.86 49.04 1u38 s ASN 102 Cb -0.01 -1.51 -0.04 0.00 0.02 0.00 0.00 41.25 39.71 1u38 s ASN 102 CO -0.05 -0.26 0.17 0.27 0.02 0.00 0.00 177.10 177.25 1u38 s ILE 103 N 0.00 1.99 -0.22 0.60 -4.36 -0.90 -0.11 121.20 118.20 1u38 s ILE 103 Ca 0.16 -1.75 -0.03 0.00 -0.26 0.00 0.00 60.65 58.78 1u38 s ILE 103 Cb -0.25 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.73 1u38 s ILE 103 CO -0.01 0.00 -0.06 0.68 0.24 0.00 0.00 174.94 175.79 1u38 s VAL 104 N -2.68 3.17 -1.66 8.37 -7.23 -0.67 0.12 120.40 119.81 1u38 s VAL 104 Ca 0.34 -0.64 0.13 0.00 -1.81 0.00 0.00 61.98 60.00 1u38 s VAL 104 Cb 0.03 -2.47 0.11 0.00 0.56 0.00 0.00 36.38 34.61 1u38 s VAL 104 CO 0.19 0.39 0.92 -1.14 -0.31 0.00 0.00 175.10 175.14