#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 1.14 -3.59 4.31 3.01 -1.26 -0.26 117.46 120.81 1u38 n PHE 18 Ca 0.00 0.40 -0.02 0.00 1.01 0.00 0.00 57.45 58.84 1u38 n PHE 18 Cb 0.00 -2.12 -0.06 0.00 -0.01 0.00 0.00 39.48 37.29 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 -3.73 0.48 -0.60 -1.08 -2.85 0.28 -4.82 119.74 107.43 1u38 s LYS 19 Ca 0.75 0.97 -0.27 0.00 -1.00 0.00 0.00 55.97 56.42 1u38 s LYS 19 Cb -0.32 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.76 1u38 s LYS 19 CO 0.49 -0.12 1.78 -0.51 0.10 0.00 0.00 175.35 177.09 1u38 s ASP 20 N 1.95 5.44 -0.51 0.03 1.01 -1.26 -2.10 116.67 121.24 1u38 s ASP 20 Ca -0.07 0.35 -0.27 0.00 0.71 0.00 0.00 52.55 53.27 1u38 s ASP 20 Cb -0.06 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.37 1u38 s ASP 20 CO -0.18 -2.24 1.05 -0.69 0.21 0.00 0.00 175.17 173.33 1u38 s VAL 21 N 8.46 4.27 -0.46 -1.27 1.01 0.43 -4.87 120.40 127.97 1u38 s VAL 21 Ca 0.65 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 63.31 1u38 s VAL 21 Cb -0.13 -4.57 0.08 0.00 0.00 0.00 0.00 36.38 31.75 1u38 s VAL 21 CO 0.22 -1.07 0.36 0.12 0.00 0.00 0.00 175.10 174.73 1u38 s PHE 22 N 4.28 3.27 -0.51 5.22 2.19 -1.25 -0.45 117.98 130.74 1u38 s PHE 22 Ca 0.40 -1.12 -0.11 0.00 0.33 0.00 0.00 56.93 56.43 1u38 s PHE 22 Cb -0.09 -3.15 0.13 0.00 -1.31 0.00 0.00 43.02 38.59 1u38 s PHE 22 CO 0.26 -0.83 0.41 0.42 1.83 0.00 0.00 175.22 177.31 1u38 s ILE 23 N 1.58 4.52 -0.30 3.12 -1.09 0.24 -4.91 121.20 124.36 1u38 s ILE 23 Ca 0.04 -1.76 -0.27 0.00 -2.23 0.00 0.00 60.65 56.43 1u38 s ILE 23 Cb -0.24 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1u38 s ILE 23 CO 0.05 -0.81 0.97 -1.61 -1.23 0.00 0.00 174.94 172.31 1u38 s GLU 24 N 1.35 4.06 0.03 2.79 8.01 -1.26 -0.90 118.70 132.78 1u38 s GLU 24 Ca 0.06 0.95 -0.00 0.00 0.01 0.00 0.00 54.97 55.98 1u38 s GLU 24 Cb -0.27 -3.72 0.00 0.00 -4.31 0.00 0.00 34.13 25.84 1u38 s GLU 24 CO -0.00 -0.78 0.05 0.36 0.01 0.00 0.00 175.26 174.89 1u38 n LYS 25 N 6.55 0.07 -4.47 1.61 -0.00 -0.74 -4.97 118.16 116.21 1u38 n LYS 25 Ca 0.09 -0.28 -0.31 0.00 -0.00 0.00 0.00 58.31 57.82 1u38 n LYS 25 Cb 0.47 0.26 -0.05 0.00 -0.00 0.00 0.00 35.03 35.71 1u38 n LYS 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1u38 n GLN 26 N -0.06 0.76 -1.35 -1.58 3.00 -1.26 -4.13 117.38 112.77 1u38 n GLN 26 Ca 0.00 -3.61 -0.31 0.00 -0.01 0.00 0.00 57.00 53.07 1u38 n GLN 26 Cb 0.06 0.85 0.09 0.00 0.00 0.00 0.00 30.24 31.24 1u38 n GLN 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1u38 s LYS 27 N -3.91 2.15 -0.90 -1.09 1.02 -1.24 -3.37 119.74 112.40 1u38 s LYS 27 Ca 0.07 0.98 0.00 0.00 0.02 0.00 0.00 55.97 57.04 1u38 s LYS 27 Cb -0.01 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1u38 s LYS 27 CO 0.04 -1.66 0.00 0.41 -0.92 0.00 0.00 175.35 173.22 1u38 n GLY 28 N -1.46 0.90 1.51 -3.33 0.00 -1.19 -4.81 105.19 96.82 1u38 n GLY 28 Ca 0.08 -0.12 -0.01 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 -1.24 1.49 0.00 1.61 1.02 -1.22 -5.02 120.64 117.28 1u38 n GLU 29 Ca -0.08 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 53.96 1u38 n GLU 29 Cb 0.47 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.45 0.00 0.00 -3.67 -5.35 -1.26 -4.48 119.36 104.15 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 -0.97 7.28 7.94 -1.26 -4.90 117.00 125.09 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 0.62 3.31 -3.96 0.00 -1.26 -2.10 105.19 101.80 1u38 n GLY 32 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.65 0.06 -0.11 1.61 -7.23 -1.26 0.14 120.40 110.97 1u38 s VAL 33 Ca 0.00 -0.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1u38 s VAL 33 Cb 0.00 -1.02 0.02 0.00 0.56 0.00 0.00 36.38 35.94 1u38 s VAL 33 CO 0.00 -0.29 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.68 1u38 s VAL 34 N -2.87 1.37 0.07 1.32 1.01 0.23 -4.90 120.40 116.64 1u38 s VAL 34 Ca -0.03 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1u38 s VAL 34 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1u38 s VAL 34 CO -0.05 0.42 -0.02 0.27 0.00 0.00 0.00 175.10 175.71 1u38 s ILE 35 N 1.18 3.90 0.17 2.22 -4.36 -1.26 0.58 121.20 123.62 1u38 s ILE 35 Ca -0.03 -0.96 -0.02 0.00 -0.26 0.00 0.00 60.65 59.38 1u38 s ILE 35 Cb -0.14 -2.82 -0.04 0.00 1.25 0.00 0.00 42.46 40.71 1u38 s ILE 35 CO -0.04 0.18 0.11 0.68 0.24 0.00 0.00 174.94 176.11 1u38 s VAL 36 N -1.24 0.05 0.24 8.37 -7.23 0.13 -4.84 120.40 115.89 1u38 s VAL 36 Ca 0.24 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 1u38 s VAL 36 Cb -0.12 -2.24 -0.13 0.00 0.56 0.00 0.00 36.38 34.45 1u38 s VAL 36 CO 0.16 -0.23 1.39 -0.62 -0.31 0.00 0.00 175.10 175.48 1u38 n GLU 37 N -0.19 2.00 -2.50 4.82 1.02 -1.26 0.95 120.64 125.48 1u38 n GLU 37 Ca -0.02 0.71 -0.40 0.00 -0.02 0.00 0.00 57.16 57.43 1u38 n GLU 37 Cb 0.65 -2.36 -0.02 0.00 -0.02 0.00 0.00 31.44 29.69 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 0.23 6.50 0.00 1.62 1.04 -1.26 -4.56 113.70 117.27 1u38 s SER 38 Ca 0.67 -2.03 0.29 0.00 0.48 0.00 0.00 55.95 55.36 1u38 s SER 38 Cb -0.65 -2.58 1.24 0.00 0.10 0.00 0.00 66.02 64.13 1u38 s SER 38 CO 0.51 -1.52 1.87 0.61 0.98 0.00 0.00 173.24 175.69 1u38 n GLY 39 N 5.90 -0.97 0.00 7.32 0.00 -1.26 -4.59 105.19 111.59 1u38 n GLY 39 Ca 0.44 -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 -0.99 -0.96 -0.06 1.61 4.27 -1.26 -4.66 117.44 115.39 1u38 n TRP 40 Ca 0.14 0.00 0.25 0.00 -3.89 0.00 0.00 57.50 54.00 1u38 n TRP 40 Cb 0.27 0.00 0.69 0.00 -1.36 0.00 0.00 31.31 30.91 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 -0.89 -1.67 0.00 -2.03 -3.44 103.07 94.88 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 -1.73 -0.21 0.19 7.64 -1.26 -4.95 113.62 109.58 1u38 n SER 42 Ca 0.14 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.16 1u38 n SER 42 Cb 0.93 -0.43 0.45 0.00 -1.01 0.00 0.00 64.21 64.15 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 0.81 -1.42 0.44 2.04 -1.93 -3.36 117.51 114.09 1u38 h ILE 43 Ca 0.00 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 1u38 h ILE 43 Cb 0.86 0.24 -0.25 0.00 -0.74 0.00 0.00 36.82 36.93 1u38 h ILE 43 CO 0.00 0.10 -0.50 -0.76 0.00 0.00 0.00 178.15 176.98 1u38 s LEU 44 N -9.54 -1.04 -0.78 1.44 1.43 -1.26 -5.10 118.68 103.83 1u38 s LEU 44 Ca -0.09 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.28 1u38 s LEU 44 Cb 0.21 1.43 -0.16 0.00 0.03 0.00 0.00 46.19 47.70 1u38 s LEU 44 CO 0.78 -0.29 2.39 -0.81 0.23 0.00 0.00 176.35 178.65 1u38 n PRO 45 N 5.02 0.53 0.00 1.29 -0.04 -1.26 -4.54 135.00 135.99 1u38 n PRO 45 Ca 0.05 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1u38 n PRO 45 Cb 0.51 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 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 8.03 0.00 -3.75 0.52 5.66 -1.26 0.52 114.28 123.99 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 0.00 0.00 -0.05 1.08 -7.23 -1.26 -4.09 120.40 108.85 1u38 s VAL 47 Ca 0.00 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1u38 s VAL 47 Cb 0.00 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.19 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 -3.84 0.82 -0.81 -0.62 1.01 0.27 -3.45 121.20 114.58 1u38 s ILE 48 Ca 0.09 -0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.18 1u38 s ILE 48 Cb -0.05 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1u38 s ILE 48 CO 0.02 0.28 1.97 -0.63 0.00 0.00 0.00 174.94 176.58 1u38 s ILE 49 N 0.67 3.38 -1.53 2.92 1.01 -0.85 -0.69 121.20 126.11 1u38 s ILE 49 Ca -0.11 -0.19 0.26 0.00 0.00 0.00 0.00 60.65 60.61 1u38 s ILE 49 Cb -0.14 -3.90 0.19 0.00 0.01 0.00 0.00 42.46 38.62 1u38 s ILE 49 CO 0.02 -0.85 1.52 0.00 0.00 0.00 0.00 174.94 175.62 1u38 n ALA 50 N 14.02 3.23 -3.48 9.38 0.00 0.20 -1.92 120.51 141.93 1u38 n ALA 50 Ca 0.35 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1u38 n ALA 50 Cb 0.48 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1u38 n ALA 50 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1u38 s ASN 51 N -2.65 -0.49 -0.21 0.00 3.84 -0.99 -4.95 114.94 109.50 1u38 s ASN 51 Ca 0.20 0.14 -0.14 0.00 0.21 0.00 0.00 52.86 53.26 1u38 s ASN 51 Cb 0.19 0.48 0.06 0.00 -0.55 0.00 0.00 41.25 41.43 1u38 s ASN 51 CO 0.58 -0.73 0.52 -0.32 -2.79 0.00 0.00 177.10 174.36 1u38 s MET 52 N -2.92 0.56 -0.77 0.43 1.75 -1.26 0.77 119.30 117.86 1u38 s MET 52 Ca 0.01 0.87 -0.26 0.00 -1.25 0.00 0.00 55.69 55.06 1u38 s MET 52 Cb -0.01 0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.81 1u38 s MET 52 CO -0.07 -0.12 1.60 -1.64 -0.65 0.00 0.00 175.02 174.14 1u38 s MET 53 N 1.01 2.97 -0.99 4.11 -1.94 0.12 -4.89 119.30 119.70 1u38 s MET 53 Ca -0.06 -0.12 -0.26 0.00 -1.71 0.00 0.00 55.69 53.54 1u38 s MET 53 Cb -0.06 -4.59 -0.21 0.00 2.01 0.00 0.00 34.83 31.98 1u38 s MET 53 CO -0.09 -2.54 2.01 1.58 -0.01 0.00 0.00 175.02 175.96 1u38 n HIS 54 N 11.12 1.32 0.00 -0.03 -0.00 -1.26 -2.03 115.22 124.34 1u38 n HIS 54 Ca 0.20 -0.60 0.00 0.00 -0.00 0.00 0.00 57.72 57.31 1u38 n HIS 54 Cb 0.50 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.11 1u38 n HIS 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1u38 n GLY 55 N 5.86 0.48 0.00 1.57 0.00 -1.26 -5.05 105.19 106.79 1u38 n GLY 55 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.80 0.18 -0.02 0.00 -0.86 -4.73 105.19 97.95 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 -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 -1.84 -2.35 132.00 129.51 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 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1u38 h PRO 57 CO 0.00 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 177.76 1u38 h ALA 58 N 2.17 0.06 0.05 -0.56 0.00 -1.72 -1.99 119.26 117.28 1u38 h ALA 58 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1u38 h ALA 58 Cb 0.37 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u38 h ALA 58 CO 0.00 -0.24 -1.07 1.49 0.00 0.00 0.00 179.25 179.43 1u38 h GLU 59 N -0.25 0.42 -0.35 0.00 4.57 -1.73 -3.15 114.58 114.10 1u38 h GLU 59 Ca 0.01 -0.53 0.03 0.00 -1.18 0.00 0.00 59.36 57.69 1u38 h GLU 59 Cb 0.38 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1u38 h GLU 59 CO 0.00 1.19 0.16 0.87 -1.18 0.00 0.00 179.01 180.06 1u38 h LYS 60 N 0.21 0.33 0.88 1.92 1.57 -1.45 -3.12 116.57 116.91 1u38 h LYS 60 Ca -0.11 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1u38 h LYS 60 Cb 1.74 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.98 1u38 h LYS 60 CO 0.19 0.22 -0.42 1.03 -0.57 0.00 0.00 179.45 179.89 1u38 h SER 61 N 0.34 -1.00 0.00 0.86 0.87 -1.44 -3.47 113.55 109.70 1u38 h SER 61 Ca 0.15 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1u38 h SER 61 Cb 0.07 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1u38 h SER 61 CO -0.12 -0.68 0.00 0.61 -0.53 0.00 0.00 176.83 176.12 1u38 n GLY 62 N -1.41 0.14 0.14 5.77 0.00 -1.18 -4.93 105.19 103.71 1u38 n GLY 62 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 4.22 0.00 -4.91 1.61 1.79 -1.90 -3.42 116.57 113.96 1u38 h LYS 63 Ca 0.00 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 1u38 h LYS 63 Cb 0.00 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.47 1u38 h LYS 63 CO 0.00 0.61 -0.54 -0.51 -1.08 0.00 0.00 179.45 177.93 1u38 s LEU 64 N -7.49 3.88 -0.03 2.94 1.43 -1.26 -4.98 118.68 113.17 1u38 s LEU 64 Ca -0.01 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1u38 s LEU 64 Cb 0.12 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1u38 s LEU 64 CO 0.76 -0.05 -0.08 0.54 0.23 0.00 0.00 176.35 177.75 1u38 s ASN 65 N 1.72 1.18 0.36 2.29 2.20 -1.26 -4.77 114.94 116.66 1u38 s ASN 65 Ca 0.07 -0.18 -0.24 0.00 -0.94 0.00 0.00 52.86 51.57 1u38 s ASN 65 Cb -0.16 -0.41 -0.14 0.00 -2.00 0.00 0.00 41.25 38.54 1u38 s ASN 65 CO 0.09 0.03 0.60 -0.38 -2.94 0.00 0.00 177.10 174.50 1u38 n ILE 66 N 3.54 1.77 -0.35 0.54 2.08 -1.26 -2.87 119.36 122.82 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 0.53 -0.51 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 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 0.82 3.92 7.39 0.00 -0.81 -5.03 105.19 113.23 1u38 n GLY 67 Ca 0.12 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.09 5.10 -0.20 1.61 1.11 -1.14 -4.93 116.67 116.14 1u38 s ASP 68 Ca 0.00 -0.77 -0.00 0.00 0.18 0.00 0.00 52.55 51.96 1u38 s ASP 68 Cb 0.00 -0.37 0.05 0.00 1.07 0.00 0.00 42.92 43.68 1u38 s ASP 68 CO 0.00 -0.80 -0.04 -1.10 1.18 0.00 0.00 175.17 174.41 1u38 s GLN 69 N -4.24 1.42 0.24 8.23 -1.52 -0.94 -2.01 119.66 120.84 1u38 s GLN 69 Ca 0.49 -0.70 -0.24 0.00 -1.95 0.00 0.00 55.36 52.96 1u38 s GLN 69 Cb -0.04 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.38 1u38 s GLN 69 CO 0.29 -0.53 0.83 0.42 -0.25 0.00 0.00 175.29 176.05 1u38 s ILE 70 N 1.56 4.35 0.00 1.08 1.01 -1.22 0.01 121.20 127.99 1u38 s ILE 70 Ca -0.02 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.27 1u38 s ILE 70 Cb -0.17 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1u38 s ILE 70 CO -0.07 0.29 0.00 0.23 0.00 0.00 0.00 174.94 175.39 1u38 n MET 71 N 0.96 0.00 -4.85 2.79 2.81 -0.43 -3.97 117.12 114.43 1u38 n MET 71 Ca -0.02 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.60 1u38 n MET 71 Cb 0.50 -0.34 -0.17 0.00 -0.71 0.00 0.00 33.22 32.50 1u38 n MET 71 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1u38 s SER 72 N -4.11 2.27 -0.36 7.83 0.01 -1.23 0.13 113.70 118.24 1u38 s SER 72 Ca 0.00 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 1u38 s SER 72 Cb 0.00 -0.91 0.02 0.00 0.21 0.00 0.00 66.02 65.34 1u38 s SER 72 CO 0.00 0.11 0.21 -0.63 0.41 0.00 0.00 173.24 173.34 1u38 s ILE 73 N 0.36 4.71 -2.18 1.44 1.01 -0.34 -1.98 121.20 124.22 1u38 s ILE 73 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1u38 s ILE 73 Cb -0.15 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1u38 s ILE 73 CO 0.05 -0.16 0.00 0.59 0.00 0.00 0.00 174.94 175.41 1u38 n ASN 74 N 5.02 -5.48 0.00 3.58 3.02 0.15 -1.77 115.26 119.78 1u38 n ASN 74 Ca -0.12 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1u38 n ASN 74 Cb 0.47 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 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 1.60 3.55 7.41 0.00 -1.26 -5.03 105.19 111.01 1u38 n GLY 75 Ca -0.21 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.92 3.33 0.56 2.61 2.01 -0.73 -4.94 115.64 117.57 1u38 s THR 76 Ca 0.00 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.01 1u38 s THR 76 Cb 0.00 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1u38 s THR 76 CO 0.00 -0.78 1.21 -0.44 -0.69 0.00 0.00 174.62 173.92 1u38 s SER 77 N 8.37 5.41 -0.01 3.53 0.01 -1.26 -1.20 113.70 128.54 1u38 s SER 77 Ca 0.71 2.39 0.03 0.00 1.31 0.00 0.00 55.95 60.40 1u38 s SER 77 Cb -0.14 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.44 1u38 s SER 77 CO 0.22 -1.44 0.06 0.18 0.41 0.00 0.00 173.24 172.66 1u38 n LEU 78 N -1.32 0.00 -4.53 2.44 4.77 0.34 -4.89 117.00 113.81 1u38 n LEU 78 Ca 0.12 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 1u38 n LEU 78 Cb 0.49 0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1u38 n LEU 78 CO 0.46 0.02 1.84 0.52 -1.33 0.00 0.00 177.39 178.89 1u38 n VAL 79 N -1.76 -0.02 0.00 4.08 0.31 -1.25 0.95 118.33 120.64 1u38 n VAL 79 Ca -0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1u38 n VAL 79 Cb 0.23 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 6.21 0.99 3.71 2.92 0.00 0.18 -4.97 105.19 114.24 1u38 n GLY 80 Ca 0.54 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 1u38 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u38 s LEU 81 N 0.00 3.54 0.93 0.99 1.43 0.27 -5.09 118.68 120.75 1u38 s LEU 81 Ca 0.00 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1u38 s LEU 81 Cb 0.00 -2.24 0.15 0.00 0.03 0.00 0.00 46.19 44.13 1u38 s LEU 81 CO 0.00 0.15 1.10 -2.16 0.23 0.00 0.00 176.35 175.67 1u38 s PRO 82 N -2.51 1.02 0.14 1.29 0.04 -1.26 -4.77 135.00 128.95 1u38 s PRO 82 Ca 0.27 0.54 -0.16 0.00 0.04 0.00 0.00 61.00 61.69 1u38 s PRO 82 Cb -0.11 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1u38 s PRO 82 CO 0.20 -2.33 1.73 1.25 0.04 0.00 0.00 177.00 177.89 1u38 h LEU 83 N -1.61 0.54 -0.79 -3.56 5.85 -1.93 -1.59 115.31 112.21 1u38 h LEU 83 Ca -0.51 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.21 1u38 h LEU 83 Cb 1.31 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1u38 h LEU 83 CO 0.58 0.49 0.41 -1.28 -0.34 0.00 0.00 178.44 178.31 1u38 h SER 84 N 0.54 0.54 0.10 1.25 0.87 -1.96 0.78 113.55 115.66 1u38 h SER 84 Ca 0.15 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1u38 h SER 84 Cb 0.09 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1u38 h SER 84 CO -0.02 0.27 -0.05 0.74 -0.53 0.00 0.00 176.83 177.25 1u38 h THR 85 N 0.65 1.05 0.29 2.23 2.02 -1.84 -2.25 112.91 115.06 1u38 h THR 85 Ca 0.41 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1u38 h THR 85 Cb 0.48 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1u38 h THR 85 CO -0.30 0.14 -0.34 0.00 0.37 0.00 0.00 175.52 175.39 1u38 h GLN 87 N -0.67 0.56 -0.80 0.00 4.20 -0.91 0.53 115.11 118.01 1u38 h GLN 87 Ca -0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1u38 h GLN 87 Cb 0.63 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1u38 h GLN 87 CO -0.10 0.37 0.43 0.77 -0.67 0.00 0.00 178.83 179.64 1u38 h SER 88 N 0.57 1.00 -0.09 1.46 0.02 -0.71 0.11 113.55 115.91 1u38 h SER 88 Ca 0.58 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.46 1u38 h SER 88 Cb 1.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1u38 h SER 88 CO -0.46 0.81 -0.02 0.40 -1.14 0.00 0.00 176.83 176.42 1u38 h ILE 89 N 1.12 0.91 0.01 3.27 1.08 0.13 -1.13 117.51 122.90 1u38 h ILE 89 Ca 0.28 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.75 1u38 h ILE 89 Cb 0.03 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1u38 h ILE 89 CO -0.04 0.00 -0.00 0.40 -0.69 0.00 0.00 178.15 177.81 1u38 h ILE 90 N 0.00 1.56 -0.16 -0.67 2.04 -1.23 -3.23 117.51 115.82 1u38 h ILE 90 Ca 0.04 -1.80 0.05 0.00 1.00 0.00 0.00 64.86 64.15 1u38 h ILE 90 Cb 0.06 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1u38 h ILE 90 CO -0.09 0.46 0.25 0.07 0.00 0.00 0.00 178.15 178.84 1u38 h LYS 91 N -0.80 0.00 -0.28 2.37 5.09 -0.82 -0.92 116.57 121.21 1u38 h LYS 91 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.66 1u38 h LYS 91 Cb 0.76 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.08 1u38 h LYS 91 CO 0.00 0.00 -0.13 0.78 -2.09 0.00 0.00 179.45 178.01 1u38 h GLY 92 N 0.00 0.64 -5.60 0.07 0.00 -1.21 -3.29 103.07 93.68 1u38 h GLY 92 Ca 0.08 -0.58 -0.72 0.00 0.00 0.00 0.00 47.33 46.11 1u38 h GLY 92 CO -0.00 0.53 2.89 1.47 0.00 0.00 0.00 176.54 181.43 1u38 n LEU 93 N -4.43 7.95 0.12 3.11 -0.00 -0.35 -4.53 117.00 118.87 1u38 n LEU 93 Ca -0.03 -4.61 0.05 0.00 -0.00 0.00 0.00 56.01 51.41 1u38 n LEU 93 Cb 0.36 -1.47 0.01 0.00 -0.00 0.00 0.00 43.42 42.33 1u38 n LEU 93 CO 0.41 1.86 0.23 0.50 -0.00 0.00 0.00 177.39 180.40 1u38 h LYS 94 N 5.05 0.00 -1.01 1.47 3.11 -1.72 -3.32 116.57 120.15 1u38 h LYS 94 Ca 0.70 0.00 -0.65 0.00 -2.81 0.00 0.00 60.65 57.89 1u38 h LYS 94 Cb 0.38 0.00 -0.29 0.00 -1.00 0.00 0.00 32.23 31.32 1u38 h LYS 94 CO 1.64 0.27 0.84 0.09 -2.81 0.00 0.00 179.45 179.48 1u38 n ASN 95 N -3.01 7.08 -4.96 4.20 3.02 -1.26 -3.16 115.26 117.17 1u38 n ASN 95 Ca -0.01 -3.75 -0.22 0.00 -0.03 0.00 0.00 54.58 50.57 1u38 n ASN 95 Cb 0.70 -0.96 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 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 -3.71 3.30 -0.00 3.52 -0.21 -1.25 -4.83 119.66 116.47 1u38 s GLN 96 Ca 0.63 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 55.40 1u38 s GLN 96 Cb 0.50 -2.73 -0.02 0.00 1.00 0.00 0.00 33.01 31.76 1u38 s GLN 96 CO 0.01 0.10 0.06 -1.13 -2.12 0.00 0.00 175.29 172.21 1u38 n SER 97 N -1.73 0.39 -3.49 5.90 3.41 -1.26 -3.73 113.62 113.11 1u38 n SER 97 Ca -0.03 -0.50 -0.04 0.00 -0.26 0.00 0.00 58.87 58.04 1u38 n SER 97 Cb 0.57 1.01 -0.06 0.00 -0.26 0.00 0.00 64.21 65.47 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 -1.22 0.46 -0.31 4.33 6.06 -1.26 -1.80 118.95 125.21 1u38 s ARG 98 Ca 0.01 1.07 -0.13 0.00 -2.50 0.00 0.00 55.73 54.18 1u38 s ARG 98 Cb 0.01 0.40 -0.03 0.00 0.06 0.00 0.00 34.95 35.39 1u38 s ARG 98 CO 0.06 -0.38 0.25 0.08 -2.50 0.00 0.00 175.30 172.81 1u38 s VAL 99 N 2.74 5.27 -0.56 7.11 1.01 -0.08 -4.93 120.40 130.96 1u38 s VAL 99 Ca 0.04 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1u38 s VAL 99 Cb -0.13 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1u38 s VAL 99 CO -0.17 0.11 0.46 -0.54 0.00 0.00 0.00 175.10 174.96 1u38 s LYS 100 N 1.82 2.80 0.18 2.72 1.02 -1.26 -0.59 119.74 126.43 1u38 s LYS 100 Ca 0.08 -1.91 0.07 0.00 0.02 0.00 0.00 55.97 54.23 1u38 s LYS 100 Cb -0.16 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.01 1u38 s LYS 100 CO 0.11 -1.25 0.04 -0.51 -0.92 0.00 0.00 175.35 172.82 1u38 s LEU 101 N 1.14 3.43 -0.45 3.17 1.43 0.41 0.32 118.68 128.13 1u38 s LEU 101 Ca 0.08 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1u38 s LEU 101 Cb -0.25 -2.06 0.13 0.00 0.03 0.00 0.00 46.19 44.05 1u38 s LEU 101 CO -0.01 0.07 0.22 0.21 0.23 0.00 0.00 176.35 177.07 1u38 s ASN 102 N -3.07 4.00 0.41 2.29 3.04 -0.84 0.16 114.94 120.95 1u38 s ASN 102 Ca 0.29 -2.65 0.07 0.00 0.04 0.00 0.00 52.86 50.61 1u38 s ASN 102 Cb -0.09 -1.28 -0.04 0.00 -1.54 0.00 0.00 41.25 38.29 1u38 s ASN 102 CO 0.20 -0.27 0.24 0.27 -3.04 0.00 0.00 177.10 174.50 1u38 s ILE 103 N 0.26 2.45 -0.16 -5.21 -4.36 -0.89 -1.31 121.20 111.98 1u38 s ILE 103 Ca 0.16 -1.58 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 1u38 s ILE 103 Cb -0.24 -3.00 -0.00 0.00 1.25 0.00 0.00 42.46 40.47 1u38 s ILE 103 CO -0.02 -0.01 -0.15 -0.69 0.24 0.00 0.00 174.94 174.31 1u38 s VAL 104 N -2.55 2.67 -2.67 8.37 1.01 0.10 0.10 120.40 127.43 1u38 s VAL 104 Ca 0.43 -0.76 0.27 0.00 0.00 0.00 0.00 61.98 61.92 1u38 s VAL 104 Cb 0.01 -2.13 0.43 0.00 0.00 0.00 0.00 36.38 34.69 1u38 s VAL 104 CO 0.24 0.51 1.58 -1.14 0.00 0.00 0.00 175.10 176.29