#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 2.25 -0.29 4.31 0.40 -1.26 -0.04 117.98 123.36 1u38 s PHE 18 Ca 0.00 1.59 -0.13 0.00 -0.60 0.00 0.00 56.93 57.79 1u38 s PHE 18 Cb 0.00 -3.36 0.11 0.00 0.51 0.00 0.00 43.02 40.28 1u38 s PHE 18 CO 0.00 -2.27 0.68 -1.59 0.70 0.00 0.00 175.22 172.74 1u38 s LYS 19 N -3.98 0.64 -0.62 0.44 -2.85 0.34 -4.84 119.74 108.86 1u38 s LYS 19 Ca 0.71 1.33 -0.27 0.00 -1.00 0.00 0.00 55.97 56.74 1u38 s LYS 19 Cb -0.26 0.49 0.01 0.00 -2.06 0.00 0.00 37.83 36.01 1u38 s LYS 19 CO 0.44 -0.17 1.54 0.34 0.10 0.00 0.00 175.35 177.60 1u38 s ASP 20 N 2.24 5.83 0.16 0.03 -1.08 -1.26 -1.90 116.67 120.69 1u38 s ASP 20 Ca -0.08 0.12 -0.26 0.00 -0.52 0.00 0.00 52.55 51.81 1u38 s ASP 20 Cb -0.08 -2.54 -0.08 0.00 -1.46 0.00 0.00 42.92 38.76 1u38 s ASP 20 CO -0.19 -1.98 0.80 -0.69 0.52 0.00 0.00 175.17 173.62 1u38 s VAL 21 N 7.04 4.37 -0.26 1.11 1.01 0.39 -4.89 120.40 129.18 1u38 s VAL 21 Ca 0.53 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 64.25 1u38 s VAL 21 Cb -0.11 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1u38 s VAL 21 CO 0.21 0.50 0.05 0.12 0.00 0.00 0.00 175.10 175.98 1u38 s PHE 22 N -1.01 1.58 -0.52 5.22 5.36 -1.26 -0.13 117.98 127.23 1u38 s PHE 22 Ca 0.37 -1.44 -0.12 0.00 -0.96 0.00 0.00 56.93 54.77 1u38 s PHE 22 Cb -0.23 -1.46 0.13 0.00 -0.34 0.00 0.00 43.02 41.11 1u38 s PHE 22 CO 0.27 -0.77 0.44 0.42 -1.46 0.00 0.00 175.22 174.11 1u38 s ILE 23 N 1.67 4.73 -0.46 3.12 -1.09 -0.40 -4.92 121.20 123.85 1u38 s ILE 23 Ca 0.04 -1.69 -0.24 0.00 -2.23 0.00 0.00 60.65 56.53 1u38 s ILE 23 Cb -0.17 -4.06 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1u38 s ILE 23 CO -0.16 -0.83 0.84 -1.61 -1.23 0.00 0.00 174.94 171.94 1u38 s GLU 24 N 1.41 3.45 0.15 2.79 2.02 -1.26 -0.94 118.70 126.33 1u38 s GLU 24 Ca 0.05 -0.01 0.02 0.00 0.02 0.00 0.00 54.97 55.05 1u38 s GLU 24 Cb -0.27 -3.94 -0.01 0.00 0.10 0.00 0.00 34.13 30.01 1u38 s GLU 24 CO 0.01 -1.16 0.16 0.36 0.02 0.00 0.00 175.26 174.65 1u38 n LYS 25 N 6.89 0.23 -3.67 1.61 2.85 -0.57 -4.98 118.16 120.52 1u38 n LYS 25 Ca 0.04 -1.41 -0.24 0.00 -1.05 0.00 0.00 58.31 55.65 1u38 n LYS 25 Cb 0.48 1.22 -0.00 0.00 -0.65 0.00 0.00 35.03 36.08 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 -2.51 2.33 0.68 -1.58 -1.52 -1.26 -4.14 119.66 111.65 1u38 s GLN 26 Ca 0.16 -1.84 -0.14 0.00 -1.95 0.00 0.00 55.36 51.59 1u38 s GLN 26 Cb 0.00 -2.26 0.01 0.00 -0.22 0.00 0.00 33.01 30.55 1u38 s GLN 26 CO 0.11 -0.55 1.11 0.15 -0.25 0.00 0.00 175.29 175.87 1u38 s LYS 27 N -4.30 2.67 -0.53 2.91 1.02 -1.26 -3.07 119.74 117.17 1u38 s LYS 27 Ca 0.42 1.38 0.00 0.00 0.02 0.00 0.00 55.97 57.79 1u38 s LYS 27 Cb -0.03 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1u38 s LYS 27 CO 0.26 -1.35 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 1u38 n GLY 28 N -0.56 0.66 1.01 -3.33 0.00 -1.25 -4.83 105.19 96.89 1u38 n GLY 28 Ca 0.10 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.41 1.39 0.00 1.61 1.02 -1.18 -5.01 120.64 117.06 1u38 n GLU 29 Ca -0.05 -3.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 1u38 n GLU 29 Cb 0.34 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.68 0.00 0.00 -3.67 -5.35 -1.26 -4.49 119.36 103.92 1u38 n ILE 30 Ca 0.18 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.66 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 -0.93 7.28 7.94 -1.26 -4.92 117.00 125.10 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 0.87 3.15 -3.96 0.00 -1.26 -1.93 105.19 102.06 1u38 n GLY 32 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.62 0.13 -0.09 1.61 -7.23 -1.26 -0.12 120.40 110.82 1u38 s VAL 33 Ca 0.00 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.13 1u38 s VAL 33 Cb 0.00 -0.98 0.01 0.00 0.56 0.00 0.00 36.38 35.97 1u38 s VAL 33 CO 0.00 -0.59 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.32 1u38 s VAL 34 N -2.80 1.68 0.18 1.32 1.01 0.28 -4.90 120.40 117.16 1u38 s VAL 34 Ca -0.03 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.26 1u38 s VAL 34 Cb -0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1u38 s VAL 34 CO -0.05 0.47 -0.19 0.27 0.00 0.00 0.00 175.10 175.60 1u38 s ILE 35 N 0.54 2.65 0.20 2.22 -4.36 -1.26 0.04 121.20 121.23 1u38 s ILE 35 Ca -0.16 -1.84 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1u38 s ILE 35 Cb -0.17 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 1u38 s ILE 35 CO 0.06 -0.08 0.18 0.68 0.24 0.00 0.00 174.94 176.02 1u38 s VAL 36 N -1.58 0.00 0.17 8.37 -7.23 -0.21 -4.84 120.40 115.09 1u38 s VAL 36 Ca 0.21 -1.90 -0.32 0.00 -1.81 0.00 0.00 61.98 58.17 1u38 s VAL 36 Cb -0.09 -2.43 -0.11 0.00 0.56 0.00 0.00 36.38 34.32 1u38 s VAL 36 CO 0.11 -0.02 1.70 -1.61 -0.31 0.00 0.00 175.10 174.97 1u38 s GLU 37 N -4.13 4.16 -1.04 4.82 2.02 -1.26 0.42 118.70 123.69 1u38 s GLU 37 Ca 0.36 2.52 -0.24 0.00 0.02 0.00 0.00 54.97 57.62 1u38 s GLU 37 Cb 0.06 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 1u38 s GLU 37 CO 0.11 -0.73 1.99 -1.54 0.02 0.00 0.00 175.26 175.11 1u38 s SER 38 N 1.57 4.86 0.00 -0.19 1.04 -0.49 -4.70 113.70 115.79 1u38 s SER 38 Ca 0.75 -1.11 0.29 0.00 0.48 0.00 0.00 55.95 56.36 1u38 s SER 38 Cb -0.47 -2.58 1.24 0.00 0.10 0.00 0.00 66.02 64.31 1u38 s SER 38 CO 0.33 -3.15 1.86 0.61 0.98 0.00 0.00 173.24 173.87 1u38 n GLY 39 N 6.31 -0.81 0.00 7.32 0.00 -1.26 -4.63 105.19 112.12 1u38 n GLY 39 Ca 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.80 -1.13 0.09 1.61 4.27 -1.26 -4.66 117.44 115.56 1u38 n TRP 40 Ca 0.16 0.00 0.20 0.00 -3.89 0.00 0.00 57.50 53.97 1u38 n TRP 40 Cb 0.27 0.00 0.66 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 -0.35 0.00 -0.78 -1.67 0.00 -2.02 -3.44 103.07 94.81 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 -3.41 -1.67 -0.19 0.19 7.64 -1.26 -4.95 113.62 109.97 1u38 n SER 42 Ca 0.08 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.11 1u38 n SER 42 Cb 0.76 -0.45 0.47 0.00 -1.01 0.00 0.00 64.21 63.99 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 0.80 -1.76 0.44 2.04 -1.94 -3.37 117.51 113.72 1u38 h ILE 43 Ca 0.00 -0.17 -0.17 0.00 1.00 0.00 0.00 64.86 65.53 1u38 h ILE 43 Cb 0.89 0.27 -0.29 0.00 -0.74 0.00 0.00 36.82 36.96 1u38 h ILE 43 CO 0.00 0.09 -0.51 -0.76 0.00 0.00 0.00 178.15 176.97 1u38 s LEU 44 N -9.48 -0.74 -0.75 1.44 1.43 -1.26 -5.08 118.68 104.25 1u38 s LEU 44 Ca -0.08 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 1u38 s LEU 44 Cb 0.21 1.14 -0.18 0.00 0.03 0.00 0.00 46.19 47.40 1u38 s LEU 44 CO 0.77 -0.33 1.94 -2.65 0.23 0.00 0.00 176.35 176.31 1u38 n PRO 45 N 5.36 0.17 0.00 1.29 -0.02 -1.26 -4.75 135.00 135.79 1u38 n PRO 45 Ca -0.01 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 1u38 n PRO 45 Cb 0.50 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1u38 n PRO 45 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1u38 n THR 46 N 7.40 0.00 -3.81 3.45 -2.24 -1.26 0.20 114.28 118.02 1u38 n THR 46 Ca 0.37 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.94 1u38 n THR 46 Cb 0.41 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 1u38 n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u38 s VAL 47 N 0.53 3.03 -0.09 2.28 -7.23 -1.25 -1.40 120.40 116.26 1u38 s VAL 47 Ca 0.00 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1u38 s VAL 47 Cb 0.00 -3.06 0.02 0.00 0.56 0.00 0.00 36.38 33.89 1u38 s VAL 47 CO 0.00 -0.10 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.94 1u38 s ILE 48 N -2.41 1.26 -0.81 -0.62 1.01 0.17 -2.84 121.20 116.95 1u38 s ILE 48 Ca 0.43 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 1u38 s ILE 48 Cb -0.03 -1.17 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 1u38 s ILE 48 CO 0.26 0.39 2.16 -0.63 0.00 0.00 0.00 174.94 177.12 1u38 s ILE 49 N 1.02 3.23 -1.27 2.92 1.01 -0.69 -1.04 121.20 126.39 1u38 s ILE 49 Ca -0.07 -0.16 0.26 0.00 0.00 0.00 0.00 60.65 60.68 1u38 s ILE 49 Cb -0.15 -3.53 0.15 0.00 0.01 0.00 0.00 42.46 38.95 1u38 s ILE 49 CO -0.01 -0.50 1.57 0.00 0.00 0.00 0.00 174.94 176.00 1u38 n ALA 50 N 16.01 3.20 -3.52 9.38 0.00 0.11 -0.98 120.51 144.71 1u38 n ALA 50 Ca 0.42 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1u38 n ALA 50 Cb 0.46 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.81 -0.37 -0.16 0.00 3.84 -1.01 -4.97 114.94 109.46 1u38 s ASN 51 Ca 0.17 -0.04 -0.21 0.00 0.21 0.00 0.00 52.86 52.99 1u38 s ASN 51 Cb 0.18 0.42 0.05 0.00 -0.55 0.00 0.00 41.25 41.36 1u38 s ASN 51 CO 0.61 -0.69 0.55 -0.32 -2.79 0.00 0.00 177.10 174.46 1u38 s MET 52 N -3.21 0.72 0.60 0.43 1.75 -1.26 0.10 119.30 118.43 1u38 s MET 52 Ca 0.05 0.59 0.29 0.00 -1.25 0.00 0.00 55.69 55.37 1u38 s MET 52 Cb -0.01 0.35 1.50 0.00 2.84 0.00 0.00 34.83 39.50 1u38 s MET 52 CO -0.08 -0.13 1.91 0.52 -0.65 0.00 0.00 175.02 176.58 1u38 h MET 53 N 4.74 0.00 -5.57 4.11 2.86 -0.85 -3.46 114.93 116.77 1u38 h MET 53 Ca -0.28 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.03 1u38 h MET 53 Cb 1.17 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.98 1u38 h MET 53 CO 0.22 0.00 -0.73 0.72 1.06 0.00 0.00 176.91 178.18 1u38 n HIS 54 N -3.59 -2.27 0.00 -0.22 8.25 -1.26 -4.65 115.22 111.47 1u38 n HIS 54 Ca 0.06 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 1u38 n HIS 54 Cb 0.61 -4.97 0.00 0.00 1.12 0.00 0.00 29.99 26.75 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 -1.32 0.20 0.00 -1.41 0.00 -1.26 -4.99 105.19 96.42 1u38 n GLY 55 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.32 0.33 -0.02 0.00 -1.26 -4.38 105.19 96.54 1u38 n GLY 56 Ca 0.00 -1.30 0.18 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.83 -1.61 132.00 130.22 1u38 h PRO 57 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1u38 h PRO 57 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1u38 h PRO 57 CO 0.00 0.00 0.03 0.00 -0.21 0.00 0.00 178.00 177.82 1u38 h ALA 58 N 1.77 0.08 0.06 -0.75 0.00 -1.68 -2.32 119.26 116.42 1u38 h ALA 58 Ca 0.05 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1u38 h ALA 58 Cb 0.38 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.17 1u38 h ALA 58 CO -0.00 -0.36 -1.13 1.49 0.00 0.00 0.00 179.25 179.25 1u38 h GLU 59 N -0.04 0.60 -0.62 0.00 4.57 -1.67 -3.22 114.58 114.20 1u38 h GLU 59 Ca 0.02 -0.73 0.12 0.00 -1.18 0.00 0.00 59.36 57.59 1u38 h GLU 59 Cb 0.13 0.23 -0.09 0.00 -0.16 0.00 0.00 28.75 28.86 1u38 h GLU 59 CO -0.00 1.31 0.10 0.87 -1.18 0.00 0.00 179.01 180.11 1u38 h LYS 60 N 0.30 0.21 0.19 1.92 1.57 -1.29 -1.99 116.57 117.48 1u38 h LYS 60 Ca -0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1u38 h LYS 60 Cb 1.80 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.06 1u38 h LYS 60 CO 0.21 0.14 -0.09 0.77 -0.57 0.00 0.00 179.45 179.91 1u38 h SER 61 N 0.22 -0.22 0.00 0.86 0.02 -1.49 -3.47 113.55 109.46 1u38 h SER 61 Ca 0.33 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1u38 h SER 61 Cb 0.51 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1u38 h SER 61 CO -0.45 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 175.71 1u38 n GLY 62 N -1.14 2.89 0.23 -3.77 0.00 -0.75 -4.87 105.19 97.77 1u38 n GLY 62 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 2.43 0.51 -5.75 1.61 1.57 -1.87 -3.41 116.57 111.67 1u38 h LYS 63 Ca 0.00 -0.25 -0.62 0.00 -1.87 0.00 0.00 60.65 57.92 1u38 h LYS 63 Cb 0.00 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 1u38 h LYS 63 CO 0.00 0.81 0.34 -0.51 -0.57 0.00 0.00 179.45 179.53 1u38 s LEU 64 N -8.52 4.17 -0.04 2.94 1.43 -1.26 -5.02 118.68 112.38 1u38 s LEU 64 Ca -0.07 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1u38 s LEU 64 Cb 0.13 -2.98 -0.00 0.00 0.03 0.00 0.00 46.19 43.36 1u38 s LEU 64 CO 0.81 -0.75 -0.15 0.20 0.23 0.00 0.00 176.35 176.70 1u38 s ASN 65 N 1.89 1.87 0.40 2.29 0.01 -1.26 -4.77 114.94 115.37 1u38 s ASN 65 Ca 0.30 -0.30 -0.23 0.00 -0.71 0.00 0.00 52.86 51.92 1u38 s ASN 65 Cb -0.13 -0.53 -0.13 0.00 0.41 0.00 0.00 41.25 40.87 1u38 s ASN 65 CO 0.18 0.12 0.57 -0.38 -1.51 0.00 0.00 177.10 176.08 1u38 n ILE 66 N 3.21 1.78 -0.61 0.60 2.08 -1.26 -2.72 119.36 122.44 1u38 n ILE 66 Ca -0.18 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.63 1u38 n ILE 66 Cb 0.53 -0.55 0.00 0.00 -0.75 0.00 0.00 39.64 38.87 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 1.76 0.67 3.84 7.39 0.00 -0.15 -5.00 105.19 113.70 1u38 n GLY 67 Ca 0.12 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.21 5.33 -0.19 1.61 1.11 -1.10 -4.90 116.67 116.30 1u38 s ASP 68 Ca 0.00 -0.43 -0.02 0.00 0.18 0.00 0.00 52.55 52.28 1u38 s ASP 68 Cb 0.00 -1.09 -0.00 0.00 1.07 0.00 0.00 42.92 42.90 1u38 s ASP 68 CO 0.00 -0.25 -0.10 -1.10 1.18 0.00 0.00 175.17 174.90 1u38 s GLN 69 N -3.94 3.26 -0.39 8.23 -1.52 -0.84 -1.69 119.66 122.77 1u38 s GLN 69 Ca 0.38 -0.70 -0.21 0.00 -1.95 0.00 0.00 55.36 52.89 1u38 s GLN 69 Cb -0.06 -2.82 0.01 0.00 -0.22 0.00 0.00 33.01 29.92 1u38 s GLN 69 CO 0.26 -0.14 0.64 0.42 -0.25 0.00 0.00 175.29 176.22 1u38 s ILE 70 N 1.26 4.86 -0.06 1.08 1.01 -1.13 0.46 121.20 128.68 1u38 s ILE 70 Ca 0.03 0.39 -0.03 0.00 0.00 0.00 0.00 60.65 61.03 1u38 s ILE 70 Cb -0.14 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 1u38 s ILE 70 CO -0.05 -0.44 0.17 0.24 0.00 0.00 0.00 174.94 174.86 1u38 h MET 71 N 8.65 -0.11 -4.95 2.79 2.86 -1.08 -3.34 114.93 119.74 1u38 h MET 71 Ca -0.26 0.01 -0.32 0.00 -2.06 0.00 0.00 59.70 57.07 1u38 h MET 71 Cb 1.10 0.03 -0.19 0.00 0.06 0.00 0.00 31.60 32.60 1u38 h MET 71 CO 0.86 -0.08 -0.74 0.45 1.06 0.00 0.00 176.91 178.47 1u38 s SER 72 N -4.61 1.40 -0.29 1.22 0.15 -1.16 0.19 113.70 110.60 1u38 s SER 72 Ca -0.02 -0.76 0.01 0.00 0.70 0.00 0.00 55.95 55.88 1u38 s SER 72 Cb 0.00 0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.40 1u38 s SER 72 CO 0.05 -0.24 0.02 -0.63 1.20 0.00 0.00 173.24 173.65 1u38 s ILE 73 N -2.19 1.52 -2.05 6.45 1.01 -0.45 -0.09 121.20 125.40 1u38 s ILE 73 Ca 0.03 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1u38 s ILE 73 Cb -0.04 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1u38 s ILE 73 CO 0.00 -0.42 0.00 0.59 0.00 0.00 0.00 174.94 175.11 1u38 n ASN 74 N 4.61 -5.70 0.00 3.58 3.02 0.32 -1.90 115.26 119.19 1u38 n ASN 74 Ca -0.04 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1u38 n ASN 74 Cb 0.43 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 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 -0.65 1.48 3.55 7.41 0.00 -1.26 -5.05 105.19 110.67 1u38 n GLY 75 Ca -0.23 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.86 3.19 -0.44 2.61 2.01 -0.80 -4.90 115.64 116.46 1u38 s THR 76 Ca 0.00 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 1u38 s THR 76 Cb 0.00 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1u38 s THR 76 CO 0.00 -0.49 1.73 -0.94 -0.69 0.00 0.00 174.62 174.23 1u38 s SER 77 N 10.00 5.81 0.11 3.53 1.04 -1.26 -1.34 113.70 131.59 1u38 s SER 77 Ca 0.82 0.89 0.04 0.00 0.48 0.00 0.00 55.95 58.17 1u38 s SER 77 Cb -0.14 -2.53 -0.22 0.00 0.10 0.00 0.00 66.02 63.23 1u38 s SER 77 CO 0.21 -1.85 1.25 -0.07 0.98 0.00 0.00 173.24 173.76 1u38 h LEU 78 N 14.17 0.11 -8.21 2.42 3.38 0.17 -3.44 115.31 123.91 1u38 h LEU 78 Ca -0.30 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1u38 h LEU 78 Cb 1.15 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1u38 h LEU 78 CO 1.10 1.08 0.72 0.55 0.09 0.00 0.00 178.44 181.99 1u38 n VAL 79 N -3.40 0.00 0.00 1.22 3.14 -0.87 -0.82 118.33 117.60 1u38 n VAL 79 Ca -0.02 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1u38 n VAL 79 Cb 0.96 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 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 6.30 1.25 3.96 7.55 0.00 0.13 -4.92 105.19 119.47 1u38 n GLY 80 Ca 0.53 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 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 4.25 0.00 0.99 2.34 0.00 -5.06 118.68 121.20 1u38 s LEU 81 Ca 0.00 0.16 -0.06 0.00 0.06 0.00 0.00 54.13 54.29 1u38 s LEU 81 Cb 0.00 -2.97 0.09 0.00 -0.56 0.00 0.00 46.19 42.76 1u38 s LEU 81 CO 0.00 -0.11 0.27 -0.81 -1.06 0.00 0.00 176.35 174.64 1u38 n PRO 82 N -1.45 -2.13 -0.00 1.48 -0.04 -1.26 -4.80 135.00 126.80 1u38 n PRO 82 Ca -0.08 -0.44 -0.17 0.00 -0.04 0.00 0.00 63.50 62.77 1u38 n PRO 82 Cb 0.57 -0.48 -0.12 0.00 -0.04 0.00 0.00 33.50 33.42 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 0.34 -0.85 1.53 5.85 -1.92 -2.92 115.31 117.34 1u38 h LEU 83 Ca -0.11 -0.84 0.13 0.00 0.84 0.00 0.00 57.88 57.90 1u38 h LEU 83 Cb 0.35 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 1u38 h LEU 83 CO 0.07 1.14 0.45 0.28 -0.34 0.00 0.00 178.44 180.05 1u38 h SER 84 N -0.42 0.59 -0.09 1.25 0.02 -1.96 -0.12 113.55 112.81 1u38 h SER 84 Ca -0.07 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1u38 h SER 84 Cb 1.24 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1u38 h SER 84 CO 0.09 0.28 0.02 0.74 -1.14 0.00 0.00 176.83 176.82 1u38 h THR 85 N 0.68 1.19 0.36 -2.27 2.02 -1.93 -2.51 112.91 110.45 1u38 h THR 85 Ca 0.45 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1u38 h THR 85 Cb 0.56 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1u38 h THR 85 CO -0.32 0.17 -0.38 0.00 0.37 0.00 0.00 175.52 175.35 1u38 h GLN 87 N -0.77 0.45 -0.48 0.00 3.07 -1.09 0.85 115.11 117.13 1u38 h GLN 87 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 1u38 h GLN 87 Cb 0.70 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.14 1u38 h GLN 87 CO -0.08 0.30 0.25 1.03 0.09 0.00 0.00 178.83 180.42 1u38 h SER 88 N 0.46 0.59 -0.07 0.06 0.87 -0.92 0.20 113.55 114.74 1u38 h SER 88 Ca 0.54 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 61.07 1u38 h SER 88 Cb 0.98 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1u38 h SER 88 CO -0.49 0.49 -0.00 0.40 -0.53 0.00 0.00 176.83 176.70 1u38 h ILE 89 N 0.67 0.95 -0.09 2.23 1.08 0.21 -0.83 117.51 121.73 1u38 h ILE 89 Ca 0.17 -0.01 -0.07 0.00 -0.39 0.00 0.00 64.86 64.56 1u38 h ILE 89 Cb 0.04 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1u38 h ILE 89 CO -0.03 0.00 -0.23 0.40 -0.69 0.00 0.00 178.15 177.61 1u38 h ILE 90 N 0.02 1.41 -0.18 -0.67 2.04 -1.03 -3.06 117.51 116.04 1u38 h ILE 90 Ca 0.03 -1.56 0.05 0.00 1.00 0.00 0.00 64.86 64.38 1u38 h ILE 90 Cb 0.04 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1u38 h ILE 90 CO -0.06 0.45 0.27 0.11 0.00 0.00 0.00 178.15 178.92 1u38 h LYS 91 N -0.17 0.00 -0.13 2.37 1.57 -0.52 -0.61 116.57 119.08 1u38 h LYS 91 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1u38 h LYS 91 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1u38 h LYS 91 CO 0.05 0.00 -0.56 0.78 -0.57 0.00 0.00 179.45 179.15 1u38 h GLY 92 N 0.00 0.68 -5.36 3.86 0.00 -1.04 -3.30 103.07 97.91 1u38 h GLY 92 Ca 0.09 -0.93 -0.68 0.00 0.00 0.00 0.00 47.33 45.81 1u38 h GLY 92 CO -0.00 0.83 1.53 1.47 0.00 0.00 0.00 176.54 180.36 1u38 n LEU 93 N -4.15 7.45 0.04 3.11 -0.00 -0.24 -4.52 117.00 118.69 1u38 n LEU 93 Ca -0.07 -4.72 -0.03 0.00 -0.00 0.00 0.00 56.01 51.19 1u38 n LEU 93 Cb 0.63 -1.27 -0.09 0.00 -0.00 0.00 0.00 43.42 42.69 1u38 n LEU 93 CO 0.48 1.94 -0.19 0.50 -0.00 0.00 0.00 177.39 180.13 1u38 h LYS 94 N 3.96 0.00 -1.15 1.47 3.11 -1.64 -3.34 116.57 118.97 1u38 h LYS 94 Ca 0.58 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.96 1u38 h LYS 94 Cb 0.41 0.00 -0.22 0.00 -1.00 0.00 0.00 32.23 31.41 1u38 h LYS 94 CO 1.25 0.48 0.59 0.09 -2.81 0.00 0.00 179.45 179.06 1u38 n ASN 95 N -3.05 5.69 -4.86 4.20 3.02 -1.26 -3.75 115.26 115.24 1u38 n ASN 95 Ca -0.09 -3.34 -0.30 0.00 -0.03 0.00 0.00 54.58 50.82 1u38 n ASN 95 Cb 0.90 -0.91 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 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 -2.70 3.21 0.06 3.52 -0.21 -1.26 -4.83 119.66 117.46 1u38 s GLN 96 Ca 0.46 -0.56 0.24 0.00 0.02 0.00 0.00 55.36 55.51 1u38 s GLN 96 Cb 0.37 -2.90 0.20 0.00 1.00 0.00 0.00 33.01 31.68 1u38 s GLN 96 CO 0.03 0.58 1.17 -1.13 -2.12 0.00 0.00 175.29 173.82 1u38 n SER 97 N 0.26 0.63 -3.75 5.90 3.41 -1.26 -4.26 113.62 114.54 1u38 n SER 97 Ca -0.07 -0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 58.28 1u38 n SER 97 Cb 0.52 0.52 -0.11 0.00 -0.26 0.00 0.00 64.21 64.87 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 -3.15 0.35 -0.29 4.33 3.52 -1.26 -1.52 118.95 120.93 1u38 s ARG 98 Ca 0.06 0.48 0.03 0.00 -0.13 0.00 0.00 55.73 56.16 1u38 s ARG 98 Cb 0.15 0.12 0.08 0.00 -1.56 0.00 0.00 34.95 33.74 1u38 s ARG 98 CO 0.76 -0.07 -0.01 0.08 -0.81 0.00 0.00 175.30 175.25 1u38 s VAL 99 N 0.42 1.98 -0.15 7.11 1.01 -0.11 -4.96 120.40 125.69 1u38 s VAL 99 Ca -0.02 -1.85 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 1u38 s VAL 99 Cb -0.04 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1u38 s VAL 99 CO -0.02 -0.35 0.60 -0.75 0.00 0.00 0.00 175.10 174.58 1u38 s LYS 100 N 1.12 4.28 0.06 2.72 2.20 -1.26 -1.27 119.74 127.59 1u38 s LYS 100 Ca 0.02 0.61 0.01 0.00 -0.36 0.00 0.00 55.97 56.25 1u38 s LYS 100 Cb -0.19 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1u38 s LYS 100 CO -0.08 -0.08 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.26 1u38 s LEU 101 N 1.37 2.37 -0.48 5.43 1.43 0.82 0.12 118.68 129.75 1u38 s LEU 101 Ca 0.29 -0.76 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1u38 s LEU 101 Cb -0.16 -0.01 0.13 0.00 0.03 0.00 0.00 46.19 46.18 1u38 s LEU 101 CO 0.12 -0.38 0.24 0.21 0.23 0.00 0.00 176.35 176.77 1u38 s ASN 102 N -2.25 4.08 0.43 2.29 3.04 0.87 0.15 114.94 123.54 1u38 s ASN 102 Ca -0.01 -2.83 0.07 0.00 0.04 0.00 0.00 52.86 50.13 1u38 s ASN 102 Cb -0.02 -1.41 -0.02 0.00 -1.54 0.00 0.00 41.25 38.26 1u38 s ASN 102 CO -0.03 -0.25 0.32 0.27 -3.04 0.00 0.00 177.10 174.36 1u38 s ILE 103 N 0.01 2.45 -0.10 -5.21 -4.36 -0.80 -0.42 121.20 112.76 1u38 s ILE 103 Ca 0.17 -1.47 0.03 0.00 -0.26 0.00 0.00 60.65 59.12 1u38 s ILE 103 Cb -0.25 -2.91 0.01 0.00 1.25 0.00 0.00 42.46 40.55 1u38 s ILE 103 CO -0.00 0.00 -0.19 0.54 0.24 0.00 0.00 174.94 175.52 1u38 s VAL 104 N -2.54 1.76 -2.22 8.37 0.11 0.17 0.12 120.40 126.18 1u38 s VAL 104 Ca 0.45 -0.83 0.30 0.00 -2.93 0.00 0.00 61.98 58.97 1u38 s VAL 104 Cb -0.01 -1.56 0.75 0.00 -1.53 0.00 0.00 36.38 34.04 1u38 s VAL 104 CO 0.26 0.49 2.02 -1.14 -3.33 0.00 0.00 175.10 173.40