#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 n THR 2 N 0.00 0.00 -3.72 0.00 5.66 0.15 -4.54 114.28 111.82 1ba9 n THR 2 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1ba9 n THR 2 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 1ba9 n THR 2 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1ba9 s LYS 3 N -0.34 4.06 0.27 1.09 -2.85 -1.26 -0.37 119.74 120.34 1ba9 s LYS 3 Ca 0.00 -0.28 0.09 0.00 -1.00 0.00 0.00 55.97 54.78 1ba9 s LYS 3 Cb 0.00 -3.47 -0.04 0.00 -2.06 0.00 0.00 37.83 32.26 1ba9 s LYS 3 CO 0.00 0.12 0.08 0.00 0.10 0.00 0.00 175.35 175.65 1ba9 s ALA 4 N 0.86 3.35 0.07 0.59 0.00 0.70 -1.04 121.76 126.29 1ba9 s ALA 4 Ca 0.07 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.49 1ba9 s ALA 4 Cb -0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1ba9 s ALA 4 CO 0.03 0.24 -0.13 0.54 0.00 0.00 0.00 175.76 176.44 1ba9 s VAL 5 N -2.26 1.01 -0.13 0.00 0.11 0.79 -0.50 120.40 119.41 1ba9 s VAL 5 Ca 0.33 -1.33 -0.02 0.00 -2.93 0.00 0.00 61.98 58.02 1ba9 s VAL 5 Cb -0.07 -1.05 0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1ba9 s VAL 5 CO 0.22 -0.30 0.03 0.00 -3.33 0.00 0.00 175.10 171.71 1ba9 s ALA 6 N -1.49 0.76 -0.91 1.54 0.00 0.26 -0.62 121.76 121.29 1ba9 s ALA 6 Ca -0.02 -0.35 -0.22 0.00 0.00 0.00 0.00 51.96 51.37 1ba9 s ALA 6 Cb -0.09 -0.94 0.08 0.00 0.00 0.00 0.00 23.12 22.17 1ba9 s ALA 6 CO 0.02 -0.82 1.24 0.14 0.00 0.00 0.00 175.76 176.34 1ba9 s VAL 7 N 1.96 4.28 0.28 0.00 -7.23 -1.26 -0.50 120.40 117.93 1ba9 s VAL 7 Ca 0.02 -0.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 1ba9 s VAL 7 Cb -0.15 -4.89 -0.13 0.00 0.56 0.00 0.00 36.38 31.78 1ba9 s VAL 7 CO -0.07 -1.70 1.36 0.18 -0.31 0.00 0.00 175.10 174.56 1ba9 n LEU 8 N 7.84 3.26 -3.72 1.32 4.32 0.91 -4.35 117.00 126.58 1ba9 n LEU 8 Ca 0.22 1.17 -0.12 0.00 -0.02 0.00 0.00 56.01 57.26 1ba9 n LEU 8 Cb 0.49 -1.45 -0.11 0.00 -1.62 0.00 0.00 43.42 40.74 1ba9 n LEU 8 CO 0.60 -0.50 0.03 -0.75 -1.22 0.00 0.00 177.39 175.55 1ba9 s LYS 9 N -0.97 0.40 0.00 3.23 2.36 0.14 -0.85 119.74 124.04 1ba9 s LYS 9 Ca 0.63 0.63 0.00 0.00 -2.55 0.00 0.00 55.97 54.68 1ba9 s LYS 9 Cb -0.62 0.09 0.00 0.00 -1.05 0.00 0.00 37.83 36.25 1ba9 s LYS 9 CO 0.54 -0.11 0.00 0.41 1.55 0.00 0.00 175.35 177.75 1ba9 n GLY 10 N 3.56 5.78 0.24 5.54 0.00 0.07 -1.19 105.19 119.20 1ba9 n GLY 10 Ca -0.18 -2.12 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 1ba9 n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 11 N 0.00 0.50 -0.33 1.61 3.58 -1.88 -3.44 116.42 116.45 1ba9 h ASP 11 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1ba9 h ASP 11 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1ba9 h ASP 11 CO 0.00 0.33 0.00 0.61 -2.88 0.00 0.00 179.24 177.30 1ba9 n GLY 12 N -1.27 1.32 0.24 -0.78 0.00 -1.26 -4.95 105.19 98.48 1ba9 n GLY 12 Ca 0.07 -1.77 0.10 0.00 0.00 0.00 0.00 46.02 44.42 1ba9 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 13 N 0.00 1.32 -1.53 1.61 -0.04 -1.26 -4.83 135.00 130.27 1ba9 n PRO 13 Ca 0.00 -0.48 -0.40 0.00 -0.04 0.00 0.00 63.50 62.58 1ba9 n PRO 13 Cb 0.00 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1ba9 n PRO 13 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ba9 n VAL 14 N -0.30 0.02 -4.47 0.52 0.31 -1.25 -4.59 118.33 108.57 1ba9 n VAL 14 Ca 0.15 -0.55 -0.24 0.00 -0.01 0.00 0.00 64.34 63.69 1ba9 n VAL 14 Cb 0.18 -2.22 -0.10 0.00 -0.91 0.00 0.00 33.84 30.79 1ba9 n VAL 14 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ba9 s GLN 15 N 7.90 1.77 -0.30 5.55 0.74 0.06 -0.75 119.66 134.63 1ba9 s GLN 15 Ca 1.07 -1.78 -0.10 0.00 0.05 0.00 0.00 55.36 54.60 1ba9 s GLN 15 Cb -0.48 -1.79 0.14 0.00 1.10 0.00 0.00 33.01 31.99 1ba9 s GLN 15 CO 0.34 0.28 0.69 0.20 -0.55 0.00 0.00 175.29 176.26 1ba9 s GLY 16 N -3.55 -0.69 -1.00 2.59 0.00 -0.03 0.08 107.32 104.72 1ba9 s GLY 16 Ca 0.31 2.38 -0.17 0.00 0.00 0.00 0.00 44.72 47.24 1ba9 s GLY 16 CO 0.16 3.14 1.18 -0.42 0.00 0.00 0.00 173.10 177.16 1ba9 s ILE 17 N 2.84 4.90 0.61 0.90 1.01 -1.17 -0.06 121.20 130.23 1ba9 s ILE 17 Ca -0.02 -1.96 -0.14 0.00 0.00 0.00 0.00 60.65 58.53 1ba9 s ILE 17 Cb -0.12 -4.79 -0.03 0.00 0.01 0.00 0.00 42.46 37.53 1ba9 s ILE 17 CO -0.19 -1.50 1.04 -0.63 0.00 0.00 0.00 174.94 173.66 1ba9 s ILE 18 N 2.12 4.17 -0.01 2.92 -1.09 0.34 -3.68 121.20 125.97 1ba9 s ILE 18 Ca 0.34 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 1ba9 s ILE 18 Cb -0.05 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.31 1ba9 s ILE 18 CO -0.07 -0.74 0.01 0.20 -1.23 0.00 0.00 174.94 173.11 1ba9 s ASN 19 N -3.35 0.05 -0.17 3.58 0.01 0.16 -0.58 114.94 114.64 1ba9 s ASN 19 Ca 0.60 0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 52.75 1ba9 s ASN 19 Cb -0.13 -0.04 0.05 0.00 0.41 0.00 0.00 41.25 41.54 1ba9 s ASN 19 CO 0.43 -0.05 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.59 1ba9 s PHE 20 N 0.47 1.47 -0.11 2.20 0.40 0.35 -0.60 117.98 122.16 1ba9 s PHE 20 Ca -0.04 -1.01 -0.04 0.00 -0.60 0.00 0.00 56.93 55.24 1ba9 s PHE 20 Cb -0.06 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 1ba9 s PHE 20 CO -0.01 -0.61 0.03 -1.83 0.70 0.00 0.00 175.22 173.50 1ba9 s GLU 21 N 1.71 3.27 -0.30 0.44 4.04 0.02 -0.22 118.70 127.67 1ba9 s GLU 21 Ca -0.00 -0.36 -0.07 0.00 0.04 0.00 0.00 54.97 54.58 1ba9 s GLU 21 Cb -0.16 -2.94 0.18 0.00 0.02 0.00 0.00 34.13 31.24 1ba9 s GLU 21 CO -0.07 0.61 0.86 -1.14 -1.84 0.00 0.00 175.26 173.68 1ba9 s GLN 22 N -0.61 0.34 -0.21 -4.83 -0.44 0.50 -1.45 119.66 112.96 1ba9 s GLN 22 Ca 0.11 0.52 0.12 0.00 -2.50 0.00 0.00 55.36 53.60 1ba9 s GLN 22 Cb -0.12 0.28 0.41 0.00 -1.64 0.00 0.00 33.01 31.94 1ba9 s GLN 22 CO 0.02 -0.45 1.24 1.17 0.50 0.00 0.00 175.29 177.78 1ba9 n LYS 23 N 5.40 1.59 -0.00 1.67 4.81 -1.26 0.29 118.16 130.66 1ba9 n LYS 23 Ca -0.01 -3.17 0.02 0.00 -0.87 0.00 0.00 58.31 54.28 1ba9 n LYS 23 Cb 0.54 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 1ba9 n LYS 23 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ba9 n GLU 24 N -1.16 1.87 0.00 1.64 4.71 -1.26 -4.76 120.64 121.68 1ba9 n GLU 24 Ca 0.20 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 1ba9 n GLU 24 Cb 0.73 -0.97 0.00 0.00 -1.01 0.00 0.00 31.44 30.18 1ba9 n GLU 24 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ba9 n SER 25 N -1.47 0.00 -1.34 1.62 2.88 -1.26 -4.31 113.62 109.73 1ba9 n SER 25 Ca -0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1ba9 n SER 25 Cb 0.10 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.77 1ba9 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ba9 n ASN 26 N 2.19 3.02 -4.96 -3.46 3.02 -1.26 -3.49 115.26 110.32 1ba9 n ASN 26 Ca 0.00 -3.60 -0.18 0.00 -0.03 0.00 0.00 54.58 50.76 1ba9 n ASN 26 Cb 0.00 -0.66 -0.00 0.00 -0.61 0.00 0.00 39.78 38.50 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ba9 s GLY 27 N -2.17 1.95 0.12 7.41 0.00 -1.26 -5.08 107.32 108.30 1ba9 s GLY 27 Ca 0.47 -1.70 -0.31 0.00 0.00 0.00 0.00 44.72 43.17 1ba9 s GLY 27 CO 0.04 -1.54 1.38 2.56 0.00 0.00 0.00 173.10 175.54 1ba9 s PRO 28 N -4.25 4.33 0.28 2.90 0.04 -1.26 -4.87 135.00 132.16 1ba9 s PRO 28 Ca 0.51 2.07 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 1ba9 s PRO 28 Cb -0.08 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 1ba9 s PRO 28 CO 0.31 -0.42 1.19 0.54 0.04 0.00 0.00 177.00 178.66 1ba9 s VAL 29 N 1.04 3.22 -0.27 -0.36 0.11 0.56 -4.79 120.40 119.91 1ba9 s VAL 29 Ca 0.64 1.19 -0.09 0.00 -2.93 0.00 0.00 61.98 60.79 1ba9 s VAL 29 Cb -0.37 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.68 1ba9 s VAL 29 CO 0.31 0.27 0.13 -0.54 -3.33 0.00 0.00 175.10 171.94 1ba9 s LYS 30 N -1.35 3.81 -0.09 1.54 -0.14 -0.53 -1.53 119.74 121.44 1ba9 s LYS 30 Ca 0.48 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 1ba9 s LYS 30 Cb -0.35 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.27 1ba9 s LYS 30 CO 0.44 -0.19 -0.09 0.54 -0.76 0.00 0.00 175.35 175.29 1ba9 s VAL 31 N 1.69 3.44 -0.08 3.17 0.11 0.35 -0.80 120.40 128.29 1ba9 s VAL 31 Ca 0.07 -0.56 -0.30 0.00 -2.93 0.00 0.00 61.98 58.26 1ba9 s VAL 31 Cb -0.16 -2.42 0.10 0.00 -1.53 0.00 0.00 36.38 32.38 1ba9 s VAL 31 CO 0.08 0.56 0.86 -1.66 -3.33 0.00 0.00 175.10 171.61 1ba9 s TRP 32 N -0.33 -0.46 0.02 1.54 -2.14 0.23 -0.58 118.94 117.23 1ba9 s TRP 32 Ca 0.04 0.67 -0.02 0.00 2.66 0.00 0.00 56.10 59.45 1ba9 s TRP 32 Cb -0.13 0.46 0.01 0.00 -3.10 0.00 0.00 33.47 30.71 1ba9 s TRP 32 CO 0.02 -0.48 0.11 0.41 -2.66 0.00 0.00 176.95 174.35 1ba9 n GLY 33 N 0.53 1.27 3.16 3.67 0.00 -0.37 0.36 105.19 113.81 1ba9 n GLY 33 Ca -0.13 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 44.98 1ba9 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ba9 s SER 34 N -1.25 -1.62 0.85 1.61 1.04 -1.24 -0.92 113.70 112.17 1ba9 s SER 34 Ca 0.02 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.33 1ba9 s SER 34 Cb -0.00 2.02 0.11 0.00 0.10 0.00 0.00 66.02 68.25 1ba9 s SER 34 CO 0.01 -0.27 1.10 -0.51 0.98 0.00 0.00 173.24 174.55 1ba9 s ILE 35 N 2.62 2.80 -0.26 -1.02 2.07 -0.23 -3.01 121.20 124.18 1ba9 s ILE 35 Ca 0.11 0.26 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 1ba9 s ILE 35 Cb -0.09 -2.61 0.12 0.00 0.13 0.00 0.00 42.46 40.01 1ba9 s ILE 35 CO -0.22 -0.34 0.27 -0.54 -1.91 0.00 0.00 174.94 172.20 1ba9 s LYS 36 N -4.83 0.28 0.00 3.50 1.02 0.11 -3.90 119.74 115.92 1ba9 s LYS 36 Ca 0.63 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.61 1ba9 s LYS 36 Cb -0.19 -0.85 0.00 0.00 -0.52 0.00 0.00 37.83 36.27 1ba9 s LYS 36 CO 0.57 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 1ba9 n GLY 37 N 5.31 0.00 1.96 -3.33 0.00 -0.52 -0.76 105.19 107.85 1ba9 n GLY 37 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ba9 n LEU 38 N 0.00 0.00 -4.63 0.99 7.99 -0.55 -4.53 117.00 116.28 1ba9 n LEU 38 Ca 0.00 -1.31 -0.31 0.00 -0.01 0.00 0.00 56.01 54.38 1ba9 n LEU 38 Cb 0.00 -0.17 -0.09 0.00 -0.11 0.00 0.00 43.42 43.05 1ba9 n LEU 38 CO 0.00 -0.56 -0.37 0.42 -1.51 0.00 0.00 177.39 175.37 1ba9 s THR 39 N -0.96 3.73 0.60 -5.08 -4.23 -1.26 -3.99 115.64 104.45 1ba9 s THR 39 Ca 0.27 -0.98 -0.18 0.00 -1.18 0.00 0.00 61.69 59.63 1ba9 s THR 39 Cb -0.02 -2.71 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 1ba9 s THR 39 CO 0.17 0.22 0.70 -1.84 -0.54 0.00 0.00 174.62 173.33 1ba9 n GLU 40 N 0.96 0.62 0.00 3.99 0.28 -1.24 -4.55 120.64 120.70 1ba9 n GLU 40 Ca -0.13 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1ba9 n GLU 40 Cb 0.52 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.49 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ba9 n GLY 41 N 1.57 0.19 3.39 -1.84 0.00 -0.61 -4.89 105.19 103.00 1ba9 n GLY 41 Ca 0.12 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 1ba9 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ba9 s LEU 42 N 0.00 -0.00 -0.02 0.99 2.34 -1.26 -0.15 118.68 120.57 1ba9 s LEU 42 Ca 0.00 0.36 -0.01 0.00 0.06 0.00 0.00 54.13 54.54 1ba9 s LEU 42 Cb 0.00 2.01 0.01 0.00 -0.56 0.00 0.00 46.19 47.66 1ba9 s LEU 42 CO 0.00 -0.59 0.05 -1.00 -1.06 0.00 0.00 176.35 173.75 1ba9 s HIS 43 N -1.59 -0.04 0.41 3.48 3.76 -1.25 -2.36 115.29 117.70 1ba9 s HIS 43 Ca -0.10 0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.69 1ba9 s HIS 43 Cb -0.02 -0.05 -0.09 0.00 1.11 0.00 0.00 32.58 33.53 1ba9 s HIS 43 CO 0.05 -0.05 1.33 0.20 -0.85 0.00 0.00 174.74 175.42 1ba9 s GLY 44 N 0.38 2.93 -0.18 -2.22 0.00 0.54 -0.72 107.32 108.05 1ba9 s GLY 44 Ca -0.03 1.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.94 1ba9 s GLY 44 CO -0.01 1.89 0.23 -0.12 0.00 0.00 0.00 173.10 175.09 1ba9 s PHE 45 N -1.24 -0.32 0.05 1.90 2.19 0.13 -0.41 117.98 120.29 1ba9 s PHE 45 Ca 0.57 0.42 -0.20 0.00 0.33 0.00 0.00 56.93 58.05 1ba9 s PHE 45 Cb -0.40 -0.28 0.04 0.00 -1.31 0.00 0.00 43.02 41.08 1ba9 s PHE 45 CO 0.51 -0.54 0.46 -1.01 1.83 0.00 0.00 175.22 176.48 1ba9 s HIS 46 N 2.35 -0.33 -0.33 10.12 0.09 -0.46 -2.72 115.29 124.01 1ba9 s HIS 46 Ca 0.06 0.31 -0.24 0.00 -0.00 0.00 0.00 55.06 55.20 1ba9 s HIS 46 Cb -0.15 0.28 0.00 0.00 -0.00 0.00 0.00 32.58 32.71 1ba9 s HIS 46 CO -0.11 -0.61 0.81 0.08 -0.00 0.00 0.00 174.74 174.90 1ba9 s VAL 47 N -2.55 4.75 0.38 -0.90 1.01 0.06 -0.53 120.40 122.63 1ba9 s VAL 47 Ca -0.05 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 1ba9 s VAL 47 Cb -0.01 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.27 1ba9 s VAL 47 CO -0.03 -0.32 0.52 1.41 0.00 0.00 0.00 175.10 176.68 1ba9 n HIS 48 N 6.32 -3.65 0.00 5.22 8.25 0.30 -2.97 115.22 128.69 1ba9 n HIS 48 Ca 0.04 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 1ba9 n HIS 48 Cb 0.48 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1ba9 n HIS 48 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1ba9 n GLU 49 N -2.05 0.00 0.00 -0.41 2.13 -0.98 -4.32 120.64 115.01 1ba9 n GLU 49 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1ba9 n GLU 49 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 1ba9 n GLU 49 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1ba9 n GLU 50 N 0.00 0.00 -0.83 5.31 0.00 -1.26 -4.23 120.64 119.64 1ba9 n GLU 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ba9 n GLU 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ba9 n GLU 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ba9 n GLU 51 N 0.00 -0.24 -0.07 3.44 1.02 -1.26 -4.99 120.64 118.54 1ba9 n GLU 51 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1ba9 n GLU 51 Cb 0.00 -3.56 0.00 0.00 -0.02 0.00 0.00 31.44 27.86 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ba9 n ASP 52 N -0.12 0.00 0.27 1.62 8.00 -1.26 -4.96 116.55 120.11 1ba9 n ASP 52 Ca 0.00 -0.88 0.13 0.00 0.71 0.00 0.00 54.79 54.75 1ba9 n ASP 52 Cb 0.06 0.00 0.78 0.00 -0.02 0.00 0.00 41.12 41.94 1ba9 n ASP 52 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1ba9 h ASN 53 N 0.00 0.00 0.00 -2.24 -0.00 -2.04 -3.25 115.58 108.06 1ba9 h ASN 53 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 56.30 55.83 1ba9 h ASN 53 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.34 1ba9 h ASN 53 CO 0.00 0.06 2.88 1.07 -0.00 0.00 0.00 177.43 181.45 1ba9 n THR 54 N -3.88 3.15 0.24 -3.57 5.66 -1.26 -4.50 114.28 110.12 1ba9 n THR 54 Ca -0.03 -1.86 0.12 0.00 -3.05 0.00 0.00 64.05 59.23 1ba9 n THR 54 Cb 0.16 -2.30 0.53 0.00 -1.55 0.00 0.00 70.33 67.17 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ba9 h ALA 55 N 5.61 1.03 -3.03 1.79 0.00 -1.95 -3.37 119.26 119.33 1ba9 h ALA 55 Ca 0.62 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.83 1ba9 h ALA 55 Cb 0.28 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.18 1ba9 h ALA 55 CO 1.49 0.20 0.63 0.41 0.00 0.00 0.00 179.25 181.97 1ba9 n GLY 56 N 0.08 0.83 2.09 0.00 0.00 -1.26 -4.76 105.19 102.16 1ba9 n GLY 56 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 n THR 58 N 2.57 0.00 0.00 0.00 -1.04 -1.26 -4.93 114.28 109.62 1ba9 n THR 58 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1ba9 n THR 58 Cb 0.72 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 1ba9 n THR 58 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ba9 n SER 59 N 0.00 0.00 0.00 8.00 2.88 -1.26 -4.87 113.62 118.37 1ba9 n SER 59 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1ba9 n SER 59 Cb 0.00 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ba9 n ALA 60 N -0.52 0.00 -3.56 -1.46 0.00 -1.26 -4.75 120.51 108.96 1ba9 n ALA 60 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ba9 n ALA 60 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ba9 s GLY 61 N 0.00 -0.18 0.23 0.00 0.00 -1.26 -4.68 107.32 101.43 1ba9 s GLY 61 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.55 1ba9 s GLY 61 CO 0.00 -0.11 0.31 -1.55 0.00 0.00 0.00 173.10 171.75 1ba9 n PRO 62 N -0.40 -0.29 -1.57 2.90 -0.04 -1.26 -4.68 135.00 129.66 1ba9 n PRO 62 Ca -0.09 -0.48 -0.44 0.00 -0.04 0.00 0.00 63.50 62.45 1ba9 n PRO 62 Cb 0.62 -0.32 -0.01 0.00 -0.04 0.00 0.00 33.50 33.75 1ba9 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -2.41 0.97 -0.73 0.54 8.25 -1.26 -2.31 115.22 118.27 1ba9 n HIS 63 Ca 0.04 0.67 -0.29 0.00 -0.26 0.00 0.00 57.72 57.89 1ba9 n HIS 63 Cb 0.13 -2.20 0.24 0.00 1.12 0.00 0.00 29.99 29.28 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N -1.15 1.18 -0.07 4.41 2.19 -1.16 -4.57 117.98 118.82 1ba9 s PHE 64 Ca 0.60 0.96 0.09 0.00 0.33 0.00 0.00 56.93 58.91 1ba9 s PHE 64 Cb -0.67 -3.14 0.20 0.00 -1.31 0.00 0.00 43.02 38.10 1ba9 s PHE 64 CO 0.59 -3.83 1.14 -1.71 1.83 0.00 0.00 175.22 173.24 1ba9 n ASN 65 N -4.85 -0.46 0.24 6.13 4.05 -1.26 -4.55 115.26 114.57 1ba9 n ASN 65 Ca 0.05 -2.04 0.11 0.00 0.45 0.00 0.00 54.58 53.15 1ba9 n ASN 65 Cb 0.56 0.18 0.62 0.00 1.23 0.00 0.00 39.78 42.37 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ba9 h PRO 66 N 0.57 0.00 0.00 1.20 0.13 -1.95 -1.84 132.00 130.11 1ba9 h PRO 66 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1ba9 h PRO 66 Cb 1.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.60 1ba9 h PRO 66 CO -0.15 0.18 -0.91 1.25 -0.23 0.00 0.00 178.00 178.13 1ba9 h LEU 67 N 0.00 0.00 -1.42 1.56 6.46 -1.94 -3.49 115.31 116.48 1ba9 h LEU 67 Ca -0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 1ba9 h LEU 67 Cb 0.48 0.00 0.04 0.00 -0.73 0.00 0.00 40.66 40.44 1ba9 h LEU 67 CO 0.02 0.55 -0.17 -0.24 -0.62 0.00 0.00 178.44 177.98 1ba9 n SER 68 N -3.08 -2.55 -4.39 1.25 2.88 -0.69 -5.07 113.62 101.96 1ba9 n SER 68 Ca -0.03 -0.14 -0.21 0.00 -1.33 0.00 0.00 58.87 57.16 1ba9 n SER 68 Cb 0.79 -1.60 -0.10 0.00 -0.75 0.00 0.00 64.21 62.55 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ba9 s ARG 69 N -4.84 1.44 1.07 -1.46 0.52 -1.26 -5.12 118.95 109.30 1ba9 s ARG 69 Ca 0.07 -1.63 -0.17 0.00 -0.52 0.00 0.00 55.73 53.49 1ba9 s ARG 69 Cb -0.03 -1.37 0.23 0.00 0.52 0.00 0.00 34.95 34.30 1ba9 s ARG 69 CO 0.17 0.25 1.18 0.15 0.02 0.00 0.00 175.30 177.07 1ba9 s LYS 70 N -3.49 -0.18 0.58 3.54 -0.14 -1.26 -4.11 119.74 114.67 1ba9 s LYS 70 Ca 0.24 -0.09 -0.20 0.00 -1.36 0.00 0.00 55.97 54.56 1ba9 s LYS 70 Cb -0.03 -1.72 -0.04 0.00 -1.68 0.00 0.00 37.83 34.36 1ba9 s LYS 70 CO 0.10 -3.01 1.28 -1.58 -0.76 0.00 0.00 175.35 171.37 1ba9 s HIS 71 N -3.33 2.33 -1.18 3.18 2.46 0.32 -1.23 115.29 117.84 1ba9 s HIS 71 Ca 0.70 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.69 1ba9 s HIS 71 Cb -0.09 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 28.73 1ba9 s HIS 71 CO 0.55 -2.55 0.00 0.41 -2.47 0.00 0.00 174.74 170.68 1ba9 n GLY 72 N 0.67 -1.36 3.99 1.59 0.00 -1.25 -4.11 105.19 104.72 1ba9 n GLY 72 Ca 0.12 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 1ba9 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ba9 s GLY 73 N 0.00 1.61 0.60 -0.02 0.00 -0.96 -4.26 107.32 104.29 1ba9 s GLY 73 Ca 0.00 -1.43 0.37 0.00 0.00 0.00 0.00 44.72 43.66 1ba9 s GLY 73 CO 0.00 -1.33 2.21 -0.56 0.00 0.00 0.00 173.10 173.42 1ba9 h PRO 74 N 0.82 0.00 -0.24 2.90 0.13 -1.86 -1.15 132.00 132.61 1ba9 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ba9 h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ba9 h PRO 74 CO 0.53 0.03 0.00 1.63 -0.23 0.00 0.00 178.00 179.96 1ba9 n LYS 75 N -3.30 2.78 -4.26 0.86 4.76 -1.26 -5.00 118.16 112.74 1ba9 n LYS 75 Ca -0.02 -2.75 -0.23 0.00 -2.87 0.00 0.00 58.31 52.44 1ba9 n LYS 75 Cb 0.16 -1.77 -0.07 0.00 -1.84 0.00 0.00 35.03 31.51 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ba9 s ASP 76 N -1.94 4.62 0.21 4.39 1.11 -0.43 -5.03 116.67 119.59 1ba9 s ASP 76 Ca 0.40 -0.64 -0.06 0.00 0.18 0.00 0.00 52.55 52.43 1ba9 s ASP 76 Cb 0.32 -0.87 0.16 0.00 1.07 0.00 0.00 42.92 43.61 1ba9 s ASP 76 CO 0.09 -0.04 1.67 -0.08 1.18 0.00 0.00 175.17 177.99 1ba9 h GLU 77 N 1.82 0.95 -6.60 8.23 4.81 -1.95 -3.43 114.58 118.41 1ba9 h GLU 77 Ca -0.44 -0.30 -0.51 0.00 -0.13 0.00 0.00 59.36 57.97 1ba9 h GLU 77 Cb 1.25 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1ba9 h GLU 77 CO 0.61 0.96 0.12 -1.21 -0.73 0.00 0.00 179.01 178.76 1ba9 s GLU 78 N -4.94 4.24 0.00 1.92 2.02 -1.26 -5.02 118.70 115.66 1ba9 s GLU 78 Ca -0.11 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1ba9 s GLU 78 Cb 0.14 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1ba9 s GLU 78 CO 0.84 0.36 0.00 2.89 0.02 0.00 0.00 175.26 179.37 1ba9 n ARG 79 N 0.59 0.00 0.00 1.61 1.85 -0.36 -2.26 116.66 118.09 1ba9 n ARG 79 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1ba9 n ARG 79 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ba9 n HIS 80 N -0.19 0.00 0.17 2.89 8.25 -0.98 -4.51 115.22 120.85 1ba9 n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ba9 n HIS 80 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ba9 n HIS 80 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1ba9 n VAL 81 N -0.44 0.00 -0.93 1.59 3.14 -1.26 -4.10 118.33 116.33 1ba9 n VAL 81 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 1ba9 n VAL 81 Cb 0.00 -0.28 -0.02 0.00 -1.06 0.00 0.00 33.84 32.48 1ba9 n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ba9 n GLY 82 N 0.39 3.61 3.18 7.55 0.00 -1.26 -4.77 105.19 113.89 1ba9 n GLY 82 Ca 0.00 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 83 N 1.03 5.90 -2.44 1.61 9.92 -1.26 -0.76 116.55 130.55 1ba9 n ASP 83 Ca 0.28 -3.21 -0.23 0.00 -0.53 0.00 0.00 54.79 51.10 1ba9 n ASP 83 Cb 0.60 -1.35 -0.09 0.00 -0.64 0.00 0.00 41.12 39.64 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ba9 n LEU 84 N 2.27 6.28 0.00 0.64 4.77 -1.10 -3.65 117.00 126.20 1ba9 n LEU 84 Ca 0.26 -3.83 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 1ba9 n LEU 84 Cb 0.36 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1ba9 n LEU 84 CO 0.61 1.77 0.00 0.61 -1.33 0.00 0.00 177.39 179.04 1ba9 n GLY 85 N 1.66 0.18 3.31 -0.72 0.00 -1.26 -4.52 105.19 103.86 1ba9 n GLY 85 Ca 0.49 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 1ba9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 86 N -0.41 0.09 0.00 1.61 2.20 -1.26 -0.69 114.94 116.47 1ba9 s ASN 86 Ca 0.00 -1.26 0.00 0.00 -0.94 0.00 0.00 52.86 50.66 1ba9 s ASN 86 Cb 0.00 0.44 0.00 0.00 -2.00 0.00 0.00 41.25 39.69 1ba9 s ASN 86 CO 0.00 -0.93 0.00 1.33 -2.94 0.00 0.00 177.10 174.56 1ba9 n VAL 87 N -0.30 0.00 -3.42 3.54 0.24 0.10 -4.89 118.33 113.60 1ba9 n VAL 87 Ca 0.01 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.14 1ba9 n VAL 87 Cb 0.65 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.91 1ba9 n VAL 87 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ba9 s THR 88 N 1.22 -0.39 0.22 3.34 2.01 -1.26 -3.88 115.64 116.90 1ba9 s THR 88 Ca 0.00 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1ba9 s THR 88 Cb 0.00 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 71.51 1ba9 s THR 88 CO 0.00 -0.41 1.03 0.00 -0.69 0.00 0.00 174.62 174.55 1ba9 s ALA 89 N 2.35 3.36 0.97 7.40 0.00 0.79 -4.13 121.76 132.50 1ba9 s ALA 89 Ca 0.09 0.75 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 1ba9 s ALA 89 Cb -0.14 -3.29 0.18 0.00 0.00 0.00 0.00 23.12 19.86 1ba9 s ALA 89 CO -0.28 -0.03 1.18 0.34 0.00 0.00 0.00 175.76 176.96 1ba9 s ASP 90 N -0.68 3.01 0.58 0.00 -1.08 0.59 -1.57 116.67 117.52 1ba9 s ASP 90 Ca 0.45 0.73 0.36 0.00 -0.52 0.00 0.00 52.55 53.57 1ba9 s ASP 90 Cb -0.28 -1.12 1.95 0.00 -1.46 0.00 0.00 42.92 42.01 1ba9 s ASP 90 CO 0.35 -2.84 2.09 0.07 0.52 0.00 0.00 175.17 175.37 1ba9 h LYS 91 N -1.70 0.00 -0.18 4.34 5.09 -1.96 0.89 116.57 123.06 1ba9 h LYS 91 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.26 1ba9 h LYS 91 Cb 1.30 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.63 1ba9 h LYS 91 CO 0.52 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 174.41 1ba9 n ASP 92 N -2.83 2.90 -0.89 7.07 2.03 -1.26 -4.84 116.55 118.74 1ba9 n ASP 92 Ca -0.02 -1.92 -0.07 0.00 0.52 0.00 0.00 54.79 53.30 1ba9 n ASP 92 Cb 0.13 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ba9 n GLY 93 N 1.37 0.17 3.29 0.27 0.00 0.31 -4.73 105.19 105.87 1ba9 n GLY 93 Ca 0.17 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1ba9 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ba9 s VAL 94 N -2.48 3.42 -0.38 1.61 1.01 -1.26 -1.44 120.40 120.88 1ba9 s VAL 94 Ca 0.04 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1ba9 s VAL 94 Cb -0.02 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.72 1ba9 s VAL 94 CO 0.05 0.25 0.21 0.00 0.00 0.00 0.00 175.10 175.61 1ba9 s ALA 95 N 1.44 3.28 -0.12 5.51 0.00 -1.25 -0.30 121.76 130.32 1ba9 s ALA 95 Ca 0.03 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.97 1ba9 s ALA 95 Cb -0.16 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 1ba9 s ALA 95 CO -0.02 -1.40 1.16 0.16 0.00 0.00 0.00 175.76 175.66 1ba9 s ASP 96 N 1.55 7.07 0.02 0.00 -4.77 -1.26 -1.07 116.67 118.22 1ba9 s ASP 96 Ca 0.02 1.67 -0.03 0.00 -3.30 0.00 0.00 52.55 50.91 1ba9 s ASP 96 Cb -0.19 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.05 1ba9 s ASP 96 CO 0.07 -0.62 0.22 -0.69 0.70 0.00 0.00 175.17 174.85 1ba9 s VAL 97 N 2.64 5.38 -0.31 2.11 1.01 -0.10 -4.59 120.40 126.54 1ba9 s VAL 97 Ca 0.53 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1ba9 s VAL 97 Cb -0.21 -3.58 0.19 0.00 0.00 0.00 0.00 36.38 32.78 1ba9 s VAL 97 CO 0.17 0.26 0.74 -0.55 0.00 0.00 0.00 175.10 175.72 1ba9 s SER 98 N -2.09 -1.22 0.27 3.32 0.15 -1.25 -1.24 113.70 111.63 1ba9 s SER 98 Ca 0.30 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 1ba9 s SER 98 Cb -0.13 1.72 0.01 0.00 -1.71 0.00 0.00 66.02 65.92 1ba9 s SER 98 CO 0.21 -0.21 0.39 0.00 1.20 0.00 0.00 173.24 174.84 1ba9 n ILE 99 N 5.08 0.00 -3.96 6.45 3.06 0.25 -5.00 119.36 125.25 1ba9 n ILE 99 Ca 0.07 -1.26 -0.08 0.00 -2.50 0.00 0.00 62.75 58.97 1ba9 n ILE 99 Cb 0.56 0.81 -0.09 0.00 0.54 0.00 0.00 39.64 41.46 1ba9 n ILE 99 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1ba9 s GLU 100 N -2.54 0.69 0.14 9.51 -1.05 -1.26 -0.49 118.70 123.70 1ba9 s GLU 100 Ca 0.21 -0.98 -0.07 0.00 -0.15 0.00 0.00 54.97 53.97 1ba9 s GLU 100 Cb -0.01 0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 1ba9 s GLU 100 CO 0.15 -0.18 0.22 0.34 0.95 0.00 0.00 175.26 176.74 1ba9 s ASP 101 N -2.66 0.11 0.00 0.83 -1.08 -0.59 -4.95 116.67 108.34 1ba9 s ASP 101 Ca 0.03 -0.89 0.04 0.00 -0.52 0.00 0.00 52.55 51.21 1ba9 s ASP 101 Cb 0.04 0.39 0.06 0.00 -1.46 0.00 0.00 42.92 41.95 1ba9 s ASP 101 CO -0.09 -0.83 0.77 -1.20 0.52 0.00 0.00 175.17 174.34 1ba9 n SER 102 N -0.16 1.65 0.04 -0.34 7.64 -1.26 -0.33 113.62 120.86 1ba9 n SER 102 Ca -0.09 -1.41 0.11 0.00 1.01 0.00 0.00 58.87 58.49 1ba9 n SER 102 Cb 0.63 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1ba9 n SER 102 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ba9 n VAL 103 N 0.15 0.26 -4.23 0.44 3.14 -1.26 -4.89 118.33 111.94 1ba9 n VAL 103 Ca 0.03 -0.43 -0.19 0.00 -2.96 0.00 0.00 64.34 60.80 1ba9 n VAL 103 Cb 0.17 -0.02 -0.11 0.00 -1.06 0.00 0.00 33.84 32.81 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1ba9 s ILE 104 N -3.36 1.31 0.17 1.55 -5.25 -1.26 -4.92 121.20 109.45 1ba9 s ILE 104 Ca -0.02 -1.61 -0.23 0.00 -0.99 0.00 0.00 60.65 57.80 1ba9 s ILE 104 Cb 0.13 -1.43 0.06 0.00 2.95 0.00 0.00 42.46 44.17 1ba9 s ILE 104 CO 0.84 -0.34 0.73 -0.44 -1.79 0.00 0.00 174.94 173.94 1ba9 s SER 105 N -2.24 -0.38 -0.01 4.36 0.01 -1.20 -4.37 113.70 109.86 1ba9 s SER 105 Ca 0.06 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.09 1ba9 s SER 105 Cb -0.06 0.59 0.09 0.00 0.21 0.00 0.00 66.02 66.85 1ba9 s SER 105 CO 0.03 -1.03 0.87 0.00 0.41 0.00 0.00 173.24 173.52 1ba9 n LEU 106 N -0.40 0.98 0.00 2.44 -0.00 -1.26 -0.10 117.00 118.66 1ba9 n LEU 106 Ca -0.10 -0.49 -0.02 0.00 -0.00 0.00 0.00 56.01 55.40 1ba9 n LEU 106 Cb 0.62 -0.28 0.01 0.00 -0.00 0.00 0.00 43.42 43.77 1ba9 n LEU 106 CO 0.13 0.20 0.32 -1.54 -0.00 0.00 0.00 177.39 176.50 1ba9 n SER 107 N -0.09 -0.81 0.00 1.45 3.41 -1.26 -4.56 113.62 111.76 1ba9 n SER 107 Ca 0.03 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 1ba9 n SER 107 Cb 0.21 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ba9 n GLY 108 N -0.29 2.25 2.10 5.00 0.00 -1.23 -3.99 105.19 109.04 1ba9 n GLY 108 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ba9 n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ba9 n ASP 109 N 4.81 -1.90 -1.48 1.61 5.75 -1.26 -4.94 116.55 119.14 1ba9 n ASP 109 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1ba9 n ASP 109 Cb 0.00 1.94 0.00 0.00 -1.03 0.00 0.00 41.12 42.03 1ba9 n ASP 109 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ba9 n HIS 110 N -3.08 0.00 -1.29 2.11 1.44 -1.26 -4.90 115.22 108.23 1ba9 n HIS 110 Ca 0.00 -0.78 -0.59 0.00 -2.01 0.00 0.00 57.72 54.34 1ba9 n HIS 110 Cb 0.00 -0.42 -0.11 0.00 0.12 0.00 0.00 29.99 29.57 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1ba9 n SER 111 N 1.41 0.98 0.02 4.39 2.88 -1.02 -3.27 113.62 119.02 1ba9 n SER 111 Ca 0.00 0.65 0.10 0.00 -1.33 0.00 0.00 58.87 58.29 1ba9 n SER 111 Cb 0.42 -0.96 0.43 0.00 -0.75 0.00 0.00 64.21 63.35 1ba9 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1ba9 n ILE 112 N 6.54 0.66 -1.64 2.46 -5.35 0.85 -4.73 119.36 118.15 1ba9 n ILE 112 Ca 0.52 0.15 -0.45 0.00 -0.27 0.00 0.00 62.75 62.70 1ba9 n ILE 112 Cb 0.00 -0.84 -0.04 0.00 -1.74 0.00 0.00 39.64 37.03 1ba9 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1ba9 n ILE 113 N -1.60 0.58 -1.51 7.28 2.08 -1.26 -0.25 119.36 124.68 1ba9 n ILE 113 Ca 0.05 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1ba9 n ILE 113 Cb 0.24 -2.23 0.00 0.00 -0.75 0.00 0.00 39.64 36.90 1ba9 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ba9 n GLY 114 N 4.95 0.63 3.88 7.39 0.00 0.65 -5.00 105.19 117.69 1ba9 n GLY 114 Ca 0.25 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1ba9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 s ARG 115 N -3.18 3.72 -0.54 1.61 1.81 0.65 -4.82 118.95 118.20 1ba9 s ARG 115 Ca 0.00 0.10 -0.20 0.00 -1.72 0.00 0.00 55.73 53.91 1ba9 s ARG 115 Cb 0.00 -2.95 0.07 0.00 -0.45 0.00 0.00 34.95 31.62 1ba9 s ARG 115 CO 0.00 0.53 0.69 0.99 -0.68 0.00 0.00 175.30 176.84 1ba9 s THR 116 N -1.48 4.78 0.02 0.02 2.01 -1.26 -0.73 115.64 119.00 1ba9 s THR 116 Ca 0.35 -0.54 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 1ba9 s THR 116 Cb -0.13 -4.39 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 1ba9 s THR 116 CO 0.20 -0.96 0.82 -0.22 -0.69 0.00 0.00 174.62 173.77 1ba9 s LEU 117 N 2.85 4.41 0.02 4.42 1.98 0.69 -0.54 118.68 132.51 1ba9 s LEU 117 Ca 0.16 1.48 0.04 0.00 -2.89 0.00 0.00 54.13 52.91 1ba9 s LEU 117 Cb -0.20 -3.31 -0.02 0.00 0.66 0.00 0.00 46.19 43.33 1ba9 s LEU 117 CO 0.11 -0.08 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.69 1ba9 s VAL 118 N 0.34 0.86 0.09 1.68 1.01 0.31 -0.47 120.40 124.22 1ba9 s VAL 118 Ca 0.42 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1ba9 s VAL 118 Cb -0.20 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1ba9 s VAL 118 CO 0.24 0.03 -0.17 0.54 0.00 0.00 0.00 175.10 175.73 1ba9 s VAL 119 N -0.67 2.88 0.29 2.92 0.11 -0.14 -1.36 120.40 124.44 1ba9 s VAL 119 Ca 0.01 -1.36 0.09 0.00 -2.93 0.00 0.00 61.98 57.78 1ba9 s VAL 119 Cb -0.06 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1ba9 s VAL 119 CO 0.00 0.19 0.05 -1.00 -3.33 0.00 0.00 175.10 171.01 1ba9 s HIS 120 N -1.07 2.70 0.10 1.54 3.76 0.46 -0.44 115.29 122.34 1ba9 s HIS 120 Ca 0.17 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.58 1ba9 s HIS 120 Cb -0.11 -1.36 -0.11 0.00 1.11 0.00 0.00 32.58 32.12 1ba9 s HIS 120 CO 0.09 0.52 1.75 1.49 -0.85 0.00 0.00 174.74 177.74 1ba9 h GLU 121 N 1.77 0.13 -5.55 1.40 4.81 -0.75 -3.35 114.58 113.03 1ba9 h GLU 121 Ca -0.44 -0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.15 1ba9 h GLU 121 Cb 1.25 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.50 1ba9 h GLU 121 CO 0.62 0.09 -0.45 0.15 -0.73 0.00 0.00 179.01 178.69 1ba9 s LYS 122 N -6.15 2.21 0.64 1.92 1.02 0.95 -4.79 119.74 115.53 1ba9 s LYS 122 Ca -0.13 -2.19 -0.17 0.00 0.02 0.00 0.00 55.97 53.50 1ba9 s LYS 122 Cb 0.07 -1.78 -0.01 0.00 -0.52 0.00 0.00 37.83 35.59 1ba9 s LYS 122 CO 0.68 -0.40 1.19 0.00 -0.92 0.00 0.00 175.35 175.90 1ba9 s ALA 123 N -2.80 2.42 -0.08 5.17 0.00 -1.00 -0.34 121.76 125.13 1ba9 s ALA 123 Ca 0.21 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 52.83 1ba9 s ALA 123 Cb 0.01 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1ba9 s ALA 123 CO 0.12 -1.37 0.70 0.16 0.00 0.00 0.00 175.76 175.38 1ba9 s ASP 124 N -1.87 6.96 0.00 0.00 -4.77 -1.26 -4.17 116.67 111.56 1ba9 s ASP 124 Ca 0.75 1.16 0.00 0.00 -3.30 0.00 0.00 52.55 51.15 1ba9 s ASP 124 Cb -0.28 -2.41 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 1ba9 s ASP 124 CO 0.37 -0.15 0.77 -0.67 0.70 0.00 0.00 175.17 176.19 1ba9 n ASP 125 N 3.99 2.19 -4.45 2.11 2.03 0.72 -4.77 116.55 118.36 1ba9 n ASP 125 Ca -0.01 -1.75 -0.38 0.00 0.52 0.00 0.00 54.79 53.17 1ba9 n ASP 125 Cb 0.51 -0.44 -0.09 0.00 -0.72 0.00 0.00 41.12 40.39 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 126 N 0.44 -0.87 0.00 -2.67 4.77 -1.26 -0.76 117.00 116.65 1ba9 n LEU 126 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1ba9 n LEU 126 Cb 0.38 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1ba9 n LEU 126 CO 0.00 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1ba9 n GLY 127 N -1.58 0.39 0.96 -0.72 0.00 -1.26 -4.15 105.19 98.83 1ba9 n GLY 127 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ba9 n LYS 128 N -1.67 2.41 0.00 1.61 5.02 0.06 -3.38 118.16 122.22 1ba9 n LYS 128 Ca 0.00 -1.26 0.11 0.00 -2.02 0.00 0.00 58.31 55.14 1ba9 n LYS 128 Cb 0.08 -1.68 0.49 0.00 -0.02 0.00 0.00 35.03 33.89 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ba9 n GLY 129 N 0.43 -1.24 3.30 0.72 0.00 -1.26 -4.93 105.19 102.21 1ba9 n GLY 129 Ca 0.11 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1ba9 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 130 N 0.77 -0.34 3.64 -0.02 0.00 -1.22 -4.99 105.19 103.03 1ba9 n GLY 130 Ca 0.06 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ba9 s ASN 131 N -3.84 -0.85 0.16 1.61 2.47 -1.26 -5.03 114.94 108.19 1ba9 s ASN 131 Ca 0.22 1.39 -0.20 0.00 0.42 0.00 0.00 52.86 54.70 1ba9 s ASN 131 Cb -0.10 1.36 0.07 0.00 -1.45 0.00 0.00 41.25 41.13 1ba9 s ASN 131 CO 0.67 -0.22 1.26 -0.62 -3.72 0.00 0.00 177.10 174.46 1ba9 n GLU 132 N 4.01 -0.27 0.19 0.43 1.02 -1.26 -0.17 120.64 124.59 1ba9 n GLU 132 Ca -0.19 1.24 -0.17 0.00 -0.02 0.00 0.00 57.16 58.02 1ba9 n GLU 132 Cb 0.58 -1.83 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1ba9 h GLN 133 N 0.00 -0.83 -0.31 3.49 -0.00 -1.97 0.69 115.11 116.17 1ba9 h GLN 133 Ca 0.21 0.06 0.07 0.00 -0.00 0.00 0.00 58.65 58.98 1ba9 h GLN 133 Cb 0.41 0.19 -0.08 0.00 0.00 0.00 0.00 27.48 28.00 1ba9 h GLN 133 CO -0.79 -0.56 -0.28 0.66 0.00 0.00 0.00 178.83 177.87 1ba9 h SER 134 N -0.87 -0.90 0.00 -0.69 4.64 -1.68 0.55 113.55 114.61 1ba9 h SER 134 Ca -0.03 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1ba9 h SER 134 Cb 0.81 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ba9 h SER 134 CO -0.19 -0.30 0.00 0.41 -0.87 0.00 0.00 176.83 175.88 1ba9 n THR 135 N -5.40 0.00 -0.05 2.95 -1.04 0.76 0.10 114.28 111.60 1ba9 n THR 135 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1ba9 n THR 135 Cb 0.31 -0.69 -0.07 0.00 -1.82 0.00 0.00 70.33 68.06 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ba9 n LYS 136 N -1.00 1.82 0.00 -2.82 4.81 0.23 -0.52 118.16 120.68 1ba9 n LYS 136 Ca 0.15 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1ba9 n LYS 136 Cb 0.07 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 33.87 1ba9 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ba9 n THR 137 N -2.50 0.00 0.00 3.15 -2.24 0.19 -4.25 114.28 108.63 1ba9 n THR 137 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ba9 n THR 137 Cb 0.79 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ba9 n GLY 138 N 2.92 1.21 2.47 3.38 0.00 0.28 -4.51 105.19 110.95 1ba9 n GLY 138 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ba9 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ba9 n ASN 139 N 0.00 -5.00 0.17 1.61 5.15 -1.26 -0.20 115.26 115.73 1ba9 n ASN 139 Ca 0.00 0.38 0.14 0.00 -0.60 0.00 0.00 54.58 54.50 1ba9 n ASN 139 Cb 0.00 -3.98 0.49 0.00 -0.53 0.00 0.00 39.78 35.76 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 h ALA 140 N 0.06 1.00 0.00 5.20 0.00 -1.79 -3.47 119.26 120.26 1ba9 h ALA 140 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ba9 h ALA 140 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ba9 h ALA 140 CO 0.50 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1ba9 n GLY 141 N 0.41 -1.87 3.62 0.00 0.00 -1.26 -0.04 105.19 106.05 1ba9 n GLY 141 Ca 0.03 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ba9 s SER 142 N -4.00 2.37 -0.53 1.61 0.15 -1.26 -4.35 113.70 107.69 1ba9 s SER 142 Ca 0.00 2.00 -0.28 0.00 0.70 0.00 0.00 55.95 58.38 1ba9 s SER 142 Cb 0.00 -2.50 0.03 0.00 -1.71 0.00 0.00 66.02 61.84 1ba9 s SER 142 CO 0.00 -3.42 1.11 -0.13 1.20 0.00 0.00 173.24 172.00 1ba9 s ARG 143 N -4.60 3.57 0.19 5.44 0.52 -1.26 -0.45 118.95 122.36 1ba9 s ARG 143 Ca 0.67 0.29 -0.03 0.00 -0.52 0.00 0.00 55.73 56.14 1ba9 s ARG 143 Cb -0.23 -3.97 0.11 0.00 0.52 0.00 0.00 34.95 31.37 1ba9 s ARG 143 CO 0.60 -1.49 1.51 -0.07 0.02 0.00 0.00 175.30 175.86 1ba9 h LEU 144 N 11.39 0.64 -7.14 2.53 -0.00 -1.01 -3.47 115.31 118.25 1ba9 h LEU 144 Ca -0.24 -0.34 -0.04 0.00 -0.00 0.00 0.00 57.88 57.26 1ba9 h LEU 144 Cb 1.06 -0.18 -0.14 0.00 -0.00 0.00 0.00 40.66 41.40 1ba9 h LEU 144 CO 1.13 1.05 0.10 0.00 -0.00 0.00 0.00 178.44 180.73 1ba9 s ALA 145 N -4.03 -1.39 0.03 1.53 0.00 -1.20 -3.98 121.76 112.73 1ba9 s ALA 145 Ca -0.08 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1ba9 s ALA 145 Cb 0.11 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1ba9 s ALA 145 CO 0.84 -0.66 -0.05 0.00 0.00 0.00 0.00 175.76 175.89 1ba9 s GLY 147 N -1.66 -0.36 -0.14 0.00 0.00 0.38 -0.69 107.32 104.85 1ba9 s GLY 147 Ca -0.11 1.77 -0.08 0.00 0.00 0.00 0.00 44.72 46.30 1ba9 s GLY 147 CO -0.01 0.96 0.14 0.14 0.00 0.00 0.00 173.10 174.33 1ba9 s VAL 148 N -1.29 5.48 0.17 1.40 1.01 -1.26 -0.22 120.40 125.69 1ba9 s VAL 148 Ca -0.04 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1ba9 s VAL 148 Cb -0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1ba9 s VAL 148 CO 0.03 0.57 1.06 -0.63 0.00 0.00 0.00 175.10 176.13 1ba9 s ILE 149 N -0.62 4.00 0.29 2.22 1.01 0.09 -4.13 121.20 124.06 1ba9 s ILE 149 Ca 0.13 1.73 -0.02 0.00 0.00 0.00 0.00 60.65 62.49 1ba9 s ILE 149 Cb -0.12 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 1ba9 s ILE 149 CO 0.02 0.30 0.36 -0.83 0.00 0.00 0.00 174.94 174.79 1ba9 s GLY 150 N -0.17 1.49 0.33 6.18 0.00 0.21 -0.25 107.32 115.10 1ba9 s GLY 150 Ca 0.48 -1.56 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 1ba9 s GLY 150 CO 0.34 -1.12 1.35 -0.42 0.00 0.00 0.00 173.10 173.25 1ba9 s ILE 151 N -3.54 2.59 0.32 0.90 1.09 -1.26 -0.15 121.20 121.15 1ba9 s ILE 151 Ca 0.33 0.59 -0.12 0.00 -1.10 0.00 0.00 60.65 60.35 1ba9 s ILE 151 Cb 0.02 -3.38 -0.08 0.00 -1.06 0.00 0.00 42.46 37.97 1ba9 s ILE 151 CO 0.18 0.14 0.69 0.00 -0.10 0.00 0.00 174.94 175.84 1ba9 s ALA 152 N -1.04 3.41 -2.14 9.38 0.00 -0.21 -4.53 121.76 126.63 1ba9 s ALA 152 Ca 0.50 -0.15 0.31 0.00 0.00 0.00 0.00 51.96 52.63 1ba9 s ALA 152 Cb -0.41 -2.63 1.66 0.00 0.00 0.00 0.00 23.12 21.74 1ba9 s ALA 152 CO 0.54 0.28 2.09 0.94 0.00 0.00 0.00 175.76 179.61