#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 -2.53 0.00 -2.24 -1.26 0.09 114.28 108.34 1ba9 n THR 2 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1ba9 n THR 2 Cb 0.00 -1.91 -0.02 0.00 -2.10 0.00 0.00 70.33 66.30 1ba9 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ba9 s LYS 3 N -0.81 3.95 0.47 -0.78 -2.85 -1.26 -4.12 119.74 114.35 1ba9 s LYS 3 Ca 0.00 1.09 0.01 0.00 -1.00 0.00 0.00 55.97 56.07 1ba9 s LYS 3 Cb 0.00 -3.83 0.01 0.00 -2.06 0.00 0.00 37.83 31.95 1ba9 s LYS 3 CO 0.00 -1.07 0.69 0.00 0.10 0.00 0.00 175.35 175.07 1ba9 s ALA 4 N 4.10 3.83 0.03 0.59 0.00 0.61 -1.37 121.76 129.55 1ba9 s ALA 4 Ca 0.51 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1ba9 s ALA 4 Cb -0.14 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 1ba9 s ALA 4 CO 0.21 -0.45 -0.08 0.54 0.00 0.00 0.00 175.76 175.98 1ba9 s VAL 5 N -2.58 0.61 -0.18 0.00 0.11 0.79 -0.93 120.40 118.22 1ba9 s VAL 5 Ca 0.51 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1ba9 s VAL 5 Cb -0.10 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1ba9 s VAL 5 CO 0.38 -0.18 -0.09 0.00 -3.33 0.00 0.00 175.10 171.88 1ba9 s ALA 6 N -0.94 1.77 -0.80 1.54 0.00 0.01 -1.05 121.76 122.28 1ba9 s ALA 6 Ca -0.05 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 50.66 1ba9 s ALA 6 Cb -0.07 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 21.91 1ba9 s ALA 6 CO 0.00 -0.74 1.24 0.14 0.00 0.00 0.00 175.76 176.40 1ba9 s VAL 7 N 1.50 3.99 0.35 0.00 -7.23 -1.26 -0.76 120.40 117.00 1ba9 s VAL 7 Ca 0.00 -0.20 -0.28 0.00 -1.81 0.00 0.00 61.98 59.69 1ba9 s VAL 7 Cb -0.15 -4.89 -0.10 0.00 0.56 0.00 0.00 36.38 31.80 1ba9 s VAL 7 CO -0.08 -1.76 1.29 -0.76 -0.31 0.00 0.00 175.10 173.48 1ba9 s LEU 8 N 4.93 4.36 -0.02 1.32 1.02 0.11 -4.35 118.68 126.05 1ba9 s LEU 8 Ca 0.35 2.64 -0.13 0.00 0.02 0.00 0.00 54.13 57.01 1ba9 s LEU 8 Cb -0.08 -3.74 0.02 0.00 0.02 0.00 0.00 46.19 42.41 1ba9 s LEU 8 CO 0.06 -0.61 0.27 -0.75 0.02 0.00 0.00 176.35 175.34 1ba9 s LYS 9 N -1.93 0.61 0.00 1.70 2.20 0.06 -0.80 119.74 121.58 1ba9 s LYS 9 Ca 0.51 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1ba9 s LYS 9 Cb -0.38 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 1ba9 s LYS 9 CO 0.50 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.74 1ba9 n GLY 10 N 1.41 5.84 0.29 5.54 0.00 -0.07 -0.76 105.19 117.45 1ba9 n GLY 10 Ca -0.21 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.63 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 0.88 -2.42 1.61 3.58 -1.88 -3.45 116.42 114.74 1ba9 h ASP 11 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1ba9 h ASP 11 Cb 0.00 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.83 1ba9 h ASP 11 CO 0.00 0.66 0.00 0.61 -2.88 0.00 0.00 179.24 177.63 1ba9 n GLY 12 N -1.25 1.14 0.00 -0.78 0.00 -1.26 -4.96 105.19 98.08 1ba9 n GLY 12 Ca 0.07 -1.97 0.06 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.48 0.92 -1.60 1.61 -0.04 -1.26 -4.76 135.00 129.39 1ba9 n PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.96 1ba9 n PRO 13 Cb 0.00 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.69 0.38 -4.07 0.52 0.31 -1.25 -4.73 118.33 108.79 1ba9 n VAL 14 Ca 0.08 -0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 64.16 1ba9 n VAL 14 Cb 0.04 -1.73 -0.10 0.00 -0.91 0.00 0.00 33.84 31.14 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ba9 s GLN 15 N 4.91 0.68 -0.19 5.55 -2.07 -0.59 -0.89 119.66 127.05 1ba9 s GLN 15 Ca 1.00 -1.22 -0.10 0.00 -1.82 0.00 0.00 55.36 53.22 1ba9 s GLN 15 Cb -0.79 0.23 0.07 0.00 -1.09 0.00 0.00 33.01 31.42 1ba9 s GLN 15 CO 0.52 -0.15 0.45 0.20 -1.32 0.00 0.00 175.29 174.99 1ba9 s GLY 16 N -2.93 -0.37 -0.59 2.60 0.00 0.02 0.75 107.32 106.79 1ba9 s GLY 16 Ca 0.09 1.64 -0.20 0.00 0.00 0.00 0.00 44.72 46.26 1ba9 s GLY 16 CO -0.08 1.89 0.74 -0.42 0.00 0.00 0.00 173.10 175.22 1ba9 s ILE 17 N 1.62 4.74 0.28 0.90 -1.09 -0.87 0.04 121.20 126.82 1ba9 s ILE 17 Ca -0.08 -0.81 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 1ba9 s ILE 17 Cb -0.09 -4.50 -0.08 0.00 -1.58 0.00 0.00 42.46 36.22 1ba9 s ILE 17 CO -0.14 -1.14 0.63 -0.63 -1.23 0.00 0.00 174.94 172.44 1ba9 s ILE 18 N 2.92 4.84 0.03 2.92 -1.09 0.06 -1.90 121.20 128.98 1ba9 s ILE 18 Ca 0.14 0.60 0.02 0.00 -2.23 0.00 0.00 60.65 59.19 1ba9 s ILE 18 Cb -0.22 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 1ba9 s ILE 18 CO 0.08 -0.18 -0.07 0.20 -1.23 0.00 0.00 174.94 173.73 1ba9 s ASN 19 N -2.49 0.84 -0.13 3.58 -0.87 0.71 -0.81 114.94 115.76 1ba9 s ASN 19 Ca 0.50 -0.44 -0.04 0.00 -1.57 0.00 0.00 52.86 51.31 1ba9 s ASN 19 Cb -0.11 0.00 0.05 0.00 -0.02 0.00 0.00 41.25 41.18 1ba9 s ASN 19 CO 0.22 -0.13 0.08 -0.36 -2.57 0.00 0.00 177.10 174.34 1ba9 s PHE 20 N -1.05 0.17 0.18 2.20 0.40 -0.11 -0.90 117.98 118.87 1ba9 s PHE 20 Ca -0.07 -0.14 0.10 0.00 -0.60 0.00 0.00 56.93 56.23 1ba9 s PHE 20 Cb -0.08 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 1ba9 s PHE 20 CO 0.00 -0.41 -0.22 -2.00 0.70 0.00 0.00 175.22 173.30 1ba9 s GLU 21 N 2.14 1.41 0.24 0.44 -6.30 -0.00 -0.28 118.70 116.34 1ba9 s GLU 21 Ca 0.03 -1.47 0.00 0.00 -2.50 0.00 0.00 54.97 51.03 1ba9 s GLU 21 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 34.13 32.36 1ba9 s GLU 21 CO -0.07 0.34 0.00 0.94 0.02 0.00 0.00 175.26 176.49 1ba9 n GLN 22 N 0.30 0.00 0.00 4.30 7.27 -0.96 -0.31 117.38 127.98 1ba9 n GLN 22 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 1ba9 n GLN 22 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ba9 n LYS 23 N -3.11 0.00 0.13 3.69 4.81 0.11 -4.67 118.16 119.13 1ba9 n LYS 23 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 1ba9 n LYS 23 Cb 0.00 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.52 1ba9 n LYS 23 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1ba9 h GLU 24 N 0.00 0.00 0.00 1.64 4.39 -1.92 -2.63 114.58 116.06 1ba9 h GLU 24 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ba9 h GLU 24 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ba9 h GLU 24 CO 0.00 0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.30 1ba9 n SER 25 N -3.06 0.00 -0.01 1.42 2.88 -1.26 -3.86 113.62 109.73 1ba9 n SER 25 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1ba9 n SER 25 Cb 0.93 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 1ba9 n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ba9 n ASN 26 N 2.34 1.18 -1.89 -3.46 0.23 -1.26 -4.60 115.26 107.80 1ba9 n ASN 26 Ca 0.00 -1.64 0.00 0.00 -0.53 0.00 0.00 54.58 52.41 1ba9 n ASN 26 Cb 0.00 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1ba9 n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ba9 n GLY 27 N -0.32 0.41 3.72 4.83 0.00 -1.25 -5.03 105.19 107.54 1ba9 n GLY 27 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1ba9 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ba9 s PRO 28 N -1.59 4.40 0.05 1.61 0.04 -1.26 -4.83 135.00 133.43 1ba9 s PRO 28 Ca 0.00 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1ba9 s PRO 28 Cb 0.00 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1ba9 s PRO 28 CO 0.00 -0.28 0.99 0.54 0.04 0.00 0.00 177.00 178.29 1ba9 s VAL 29 N 0.77 4.64 -0.29 -0.36 0.11 0.50 -4.68 120.40 121.09 1ba9 s VAL 29 Ca 0.59 2.01 -0.18 0.00 -2.93 0.00 0.00 61.98 61.48 1ba9 s VAL 29 Cb -0.33 -4.29 -0.02 0.00 -1.53 0.00 0.00 36.38 30.21 1ba9 s VAL 29 CO 0.32 0.22 0.50 -0.75 -3.33 0.00 0.00 175.10 172.06 1ba9 s LYS 30 N 0.57 3.93 -0.08 1.54 2.20 0.57 -0.84 119.74 127.65 1ba9 s LYS 30 Ca 0.50 0.14 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 1ba9 s LYS 30 Cb -0.23 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 1ba9 s LYS 30 CO 0.29 -0.43 -0.19 0.54 -0.36 0.00 0.00 175.35 175.20 1ba9 s VAL 31 N 2.31 2.59 0.26 4.02 0.11 0.15 -0.82 120.40 129.02 1ba9 s VAL 31 Ca 0.20 -0.87 -0.21 0.00 -2.93 0.00 0.00 61.98 58.17 1ba9 s VAL 31 Cb -0.16 -2.01 0.03 0.00 -1.53 0.00 0.00 36.38 32.72 1ba9 s VAL 31 CO 0.11 0.56 0.70 -1.66 -3.33 0.00 0.00 175.10 171.48 1ba9 s TRP 32 N -0.17 -0.24 -1.11 1.54 -2.14 -0.08 -0.57 118.94 116.16 1ba9 s TRP 32 Ca -0.02 -0.18 0.00 0.00 2.66 0.00 0.00 56.10 58.56 1ba9 s TRP 32 Cb -0.14 0.68 0.00 0.00 -3.10 0.00 0.00 33.47 30.92 1ba9 s TRP 32 CO 0.03 -1.18 0.00 0.41 -2.66 0.00 0.00 176.95 173.56 1ba9 n GLY 33 N -0.45 -1.28 3.04 3.67 0.00 -0.00 -0.21 105.19 109.97 1ba9 n GLY 33 Ca -0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 1ba9 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 s SER 34 N -3.96 -0.72 0.99 1.61 0.01 -0.80 -0.59 113.70 110.25 1ba9 s SER 34 Ca 0.00 0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.23 1ba9 s SER 34 Cb 0.00 1.65 0.19 0.00 0.21 0.00 0.00 66.02 68.06 1ba9 s SER 34 CO 0.00 -0.31 1.08 -0.51 0.41 0.00 0.00 173.24 173.91 1ba9 s ILE 35 N 2.71 2.22 -0.43 1.44 1.10 -0.72 -2.04 121.20 125.48 1ba9 s ILE 35 Ca 0.12 0.07 0.06 0.00 -0.51 0.00 0.00 60.65 60.39 1ba9 s ILE 35 Cb -0.12 -2.49 0.18 0.00 0.15 0.00 0.00 42.46 40.18 1ba9 s ILE 35 CO -0.26 -0.09 0.57 -0.75 -2.11 0.00 0.00 174.94 172.30 1ba9 s LYS 36 N -4.88 0.84 0.00 3.50 2.47 0.23 -3.90 119.74 118.00 1ba9 s LYS 36 Ca 0.65 -0.73 0.00 0.00 -1.56 0.00 0.00 55.97 54.34 1ba9 s LYS 36 Cb -0.19 -0.24 0.00 0.00 -1.46 0.00 0.00 37.83 35.94 1ba9 s LYS 36 CO 0.58 -1.24 0.00 0.41 0.16 0.00 0.00 175.35 175.27 1ba9 n GLY 37 N 3.92 -0.50 0.00 5.54 0.00 -0.27 -1.55 105.19 112.33 1ba9 n GLY 37 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.13 0.99 4.32 -0.44 -4.73 117.00 113.01 1ba9 n LEU 38 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.84 1ba9 n LEU 38 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1ba9 n LEU 38 CO 0.00 -0.77 -0.42 0.28 -1.22 0.00 0.00 177.39 175.26 1ba9 s THR 39 N -0.81 0.81 0.16 -5.08 -1.32 -1.26 -4.18 115.64 103.95 1ba9 s THR 39 Ca 0.00 -1.35 -0.32 0.00 -1.21 0.00 0.00 61.69 58.81 1ba9 s THR 39 Cb 0.00 -1.01 -0.17 0.00 -1.51 0.00 0.00 72.50 69.81 1ba9 s THR 39 CO 0.00 -0.42 0.92 -1.84 -2.21 0.00 0.00 174.62 171.07 1ba9 n GLU 40 N 1.06 0.55 0.00 7.08 0.00 -1.19 -4.59 120.64 123.55 1ba9 n GLU 40 Ca -0.20 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ba9 n GLU 40 Cb 0.56 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ba9 n GLY 41 N 1.82 -0.47 3.78 -1.84 0.00 -0.75 -4.92 105.19 102.81 1ba9 n GLY 41 Ca 0.17 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 1ba9 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba9 s LEU 42 N 0.00 4.40 -0.10 0.99 1.02 -1.26 -0.52 118.68 123.21 1ba9 s LEU 42 Ca 0.00 0.93 0.01 0.00 0.02 0.00 0.00 54.13 55.08 1ba9 s LEU 42 Cb 0.00 -2.66 0.02 0.00 0.02 0.00 0.00 46.19 43.57 1ba9 s LEU 42 CO 0.00 0.19 -0.10 -1.00 0.02 0.00 0.00 176.35 175.45 1ba9 s HIS 43 N -0.37 1.57 0.50 0.29 3.76 0.66 -1.70 115.29 120.01 1ba9 s HIS 43 Ca 0.25 -0.73 -0.23 0.00 -0.15 0.00 0.00 55.06 54.20 1ba9 s HIS 43 Cb -0.16 -1.22 -0.06 0.00 1.11 0.00 0.00 32.58 32.24 1ba9 s HIS 43 CO 0.12 -0.44 1.31 0.20 -0.85 0.00 0.00 174.74 175.08 1ba9 s GLY 44 N 1.28 2.87 -0.05 -2.22 0.00 -0.05 -0.79 107.32 108.35 1ba9 s GLY 44 Ca -0.03 1.24 -0.01 0.00 0.00 0.00 0.00 44.72 45.92 1ba9 s GLY 44 CO -0.04 1.76 0.03 -1.36 0.00 0.00 0.00 173.10 173.49 1ba9 s PHE 45 N -1.35 0.35 0.20 1.90 0.08 -0.39 -0.64 117.98 118.12 1ba9 s PHE 45 Ca 0.67 0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.64 1ba9 s PHE 45 Cb -0.38 -0.61 0.01 0.00 -0.57 0.00 0.00 43.02 41.47 1ba9 s PHE 45 CO 0.45 -0.24 0.43 -1.01 -0.10 0.00 0.00 175.22 174.75 1ba9 s HIS 46 N 1.97 0.17 -0.31 0.36 3.76 -0.69 -3.59 115.29 116.96 1ba9 s HIS 46 Ca 0.04 -0.53 -0.19 0.00 -0.15 0.00 0.00 55.06 54.23 1ba9 s HIS 46 Cb -0.12 0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.75 1ba9 s HIS 46 CO -0.04 -0.87 0.55 0.14 -0.85 0.00 0.00 174.74 173.68 1ba9 s VAL 47 N -3.94 5.00 0.38 -0.90 -7.23 -1.21 -1.04 120.40 111.45 1ba9 s VAL 47 Ca 0.15 0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 60.94 1ba9 s VAL 47 Cb 0.00 -3.94 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 1ba9 s VAL 47 CO 0.01 -0.12 0.62 -1.00 -0.31 0.00 0.00 175.10 174.30 1ba9 s HIS 48 N 2.46 3.51 1.02 2.82 3.76 0.47 -1.11 115.29 128.22 1ba9 s HIS 48 Ca 0.22 0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 55.54 1ba9 s HIS 48 Cb -0.15 -2.05 0.20 0.00 1.11 0.00 0.00 32.58 31.69 1ba9 s HIS 48 CO 0.12 0.02 1.07 -1.21 -0.85 0.00 0.00 174.74 173.89 1ba9 s GLU 49 N -4.30 0.20 0.00 1.40 0.41 -0.75 -3.45 118.70 112.20 1ba9 s GLU 49 Ca 0.43 0.90 0.00 0.00 -0.41 0.00 0.00 54.97 55.88 1ba9 s GLU 49 Cb -0.10 -1.68 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 1ba9 s GLU 49 CO 0.37 -2.99 0.00 0.39 -0.49 0.00 0.00 175.26 172.55 1ba9 n GLU 50 N -4.41 0.00 -3.62 1.61 -0.58 -1.26 -2.40 120.64 109.98 1ba9 n GLU 50 Ca 0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.78 1ba9 n GLU 50 Cb 0.55 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.40 1ba9 n GLU 50 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1ba9 s GLU 51 N -1.51 0.12 -0.38 3.49 -6.30 -1.26 -2.18 118.70 110.68 1ba9 s GLU 51 Ca 0.00 -0.05 -0.06 0.00 -2.50 0.00 0.00 54.97 52.36 1ba9 s GLU 51 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 34.13 34.19 1ba9 s GLU 51 CO 0.00 -0.05 0.24 -3.47 0.02 0.00 0.00 175.26 171.99 1ba9 n ASP 52 N -0.13 -1.68 0.00 -1.70 2.03 -1.26 -4.62 116.55 109.19 1ba9 n ASP 52 Ca 0.01 -0.43 0.00 0.00 0.52 0.00 0.00 54.79 54.90 1ba9 n ASP 52 Cb 0.58 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1ba9 n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ba9 n ASN 53 N -0.48 0.00 -2.29 1.67 3.02 -1.26 -5.01 115.26 110.92 1ba9 n ASN 53 Ca -0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.28 1ba9 n ASN 53 Cb 0.24 0.34 -0.13 0.00 -0.61 0.00 0.00 39.78 39.62 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ba9 n THR 54 N -2.20 3.29 -0.33 3.41 -2.24 -1.26 -4.70 114.28 110.26 1ba9 n THR 54 Ca 0.00 -1.97 0.25 0.00 -2.27 0.00 0.00 64.05 60.06 1ba9 n THR 54 Cb 0.00 -2.01 0.48 0.00 -2.10 0.00 0.00 70.33 66.69 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ba9 h ALA 55 N 3.30 1.83 -1.90 6.98 0.00 -1.99 -0.47 119.26 127.02 1ba9 h ALA 55 Ca 0.33 0.27 -0.49 0.00 0.00 0.00 0.00 54.91 55.02 1ba9 h ALA 55 Cb 1.19 0.37 -0.40 0.00 0.00 0.00 0.00 17.79 18.95 1ba9 h ALA 55 CO 0.57 -0.77 -1.09 0.41 0.00 0.00 0.00 179.25 178.37 1ba9 n GLY 56 N -1.33 3.74 3.45 0.00 0.00 -1.26 -5.01 105.19 104.78 1ba9 n GLY 56 Ca 0.32 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.72 0.00 0.75 0.00 -2.24 -1.26 -4.63 114.28 103.17 1ba9 n THR 58 Ca -0.12 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1ba9 n THR 58 Cb 0.62 -0.31 0.08 0.00 -2.10 0.00 0.00 70.33 68.63 1ba9 n THR 58 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ba9 n SER 59 N -0.27 1.82 -4.34 3.42 7.64 -1.26 -4.94 113.62 115.68 1ba9 n SER 59 Ca 0.00 -2.17 -0.60 0.00 1.01 0.00 0.00 58.87 57.12 1ba9 n SER 59 Cb 0.00 -0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 62.62 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ba9 n ALA 60 N 0.10 0.11 -0.78 -0.43 0.00 -1.26 -4.86 120.51 113.40 1ba9 n ALA 60 Ca 0.06 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 1ba9 n ALA 60 Cb 0.40 -2.12 0.23 0.00 0.00 0.00 0.00 19.45 17.97 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 5.72 1.54 1.13 0.00 0.00 -1.01 -4.99 107.32 109.70 1ba9 s GLY 61 Ca 1.16 -0.36 -0.16 0.00 0.00 0.00 0.00 44.72 45.36 1ba9 s GLY 61 CO 0.66 0.38 1.09 2.56 0.00 0.00 0.00 173.10 177.79 1ba9 s PRO 62 N -4.75 -0.60 -0.33 2.90 0.04 -1.26 -4.35 135.00 126.65 1ba9 s PRO 62 Ca 0.68 0.22 -0.43 0.00 0.04 0.00 0.00 61.00 61.51 1ba9 s PRO 62 Cb -0.21 -1.64 -0.18 0.00 0.04 0.00 0.00 34.50 32.51 1ba9 s PRO 62 CO 0.61 -3.36 1.57 0.72 0.04 0.00 0.00 177.00 176.59 1ba9 n HIS 63 N -4.56 1.71 -2.15 0.56 8.25 -1.26 -1.81 115.22 115.96 1ba9 n HIS 63 Ca 0.09 0.90 -0.43 0.00 -0.26 0.00 0.00 57.72 58.02 1ba9 n HIS 63 Cb 0.58 -2.30 -0.03 0.00 1.12 0.00 0.00 29.99 29.37 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 2.67 2.24 -0.53 4.41 2.19 -0.27 -4.76 117.98 123.94 1ba9 s PHE 64 Ca 1.00 0.50 0.06 0.00 0.33 0.00 0.00 56.93 58.81 1ba9 s PHE 64 Cb -1.29 -3.82 0.21 0.00 -1.31 0.00 0.00 43.02 36.81 1ba9 s PHE 64 CO 0.71 -3.05 0.52 -1.71 1.83 0.00 0.00 175.22 173.52 1ba9 n ASN 65 N 7.29 1.45 0.08 6.13 4.05 -1.26 -3.35 115.26 129.64 1ba9 n ASN 65 Ca 0.17 -2.89 0.12 0.00 0.45 0.00 0.00 54.58 52.42 1ba9 n ASN 65 Cb 0.44 -0.65 0.45 0.00 1.23 0.00 0.00 39.78 41.25 1ba9 n ASN 65 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1ba9 n PRO 66 N 1.81 0.15 0.00 1.20 -0.04 -1.26 -2.91 135.00 133.95 1ba9 n PRO 66 Ca 0.25 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1ba9 n PRO 66 Cb 0.45 -1.73 0.52 0.00 -0.04 0.00 0.00 33.50 32.70 1ba9 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ba9 n LEU 67 N -2.01 0.14 -3.46 1.53 4.77 -1.26 -4.98 117.00 111.73 1ba9 n LEU 67 Ca 0.04 0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 56.17 1ba9 n LEU 67 Cb 0.30 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1ba9 n LEU 67 CO 0.23 0.03 0.01 -1.20 -1.33 0.00 0.00 177.39 175.14 1ba9 n SER 68 N -1.49 -6.11 -4.14 -1.43 7.64 -1.15 -5.03 113.62 101.92 1ba9 n SER 68 Ca 0.07 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 59.07 1ba9 n SER 68 Cb 0.34 -4.14 -0.09 0.00 -1.01 0.00 0.00 64.21 59.30 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ba9 s ARG 69 N -4.95 1.16 0.81 1.43 0.52 -1.26 -5.16 118.95 111.51 1ba9 s ARG 69 Ca 0.37 -1.49 -0.12 0.00 -0.52 0.00 0.00 55.73 53.97 1ba9 s ARG 69 Cb -0.10 0.30 0.08 0.00 0.52 0.00 0.00 34.95 35.75 1ba9 s ARG 69 CO 0.81 -0.39 1.10 0.15 0.02 0.00 0.00 175.30 176.99 1ba9 s LYS 70 N -4.09 1.94 0.50 3.54 1.02 -1.26 -4.77 119.74 116.62 1ba9 s LYS 70 Ca 0.31 0.58 -0.22 0.00 0.02 0.00 0.00 55.97 56.66 1ba9 s LYS 70 Cb 0.06 -1.91 -0.06 0.00 -0.52 0.00 0.00 37.83 35.40 1ba9 s LYS 70 CO 0.08 -1.71 1.23 -1.58 -0.92 0.00 0.00 175.35 172.45 1ba9 s HIS 71 N -3.18 2.64 0.00 3.18 5.65 0.68 -2.73 115.29 121.54 1ba9 s HIS 71 Ca 0.61 1.49 0.00 0.00 0.25 0.00 0.00 55.06 57.41 1ba9 s HIS 71 Cb -0.14 -3.51 0.00 0.00 -1.18 0.00 0.00 32.58 27.75 1ba9 s HIS 71 CO 0.54 -2.00 0.00 0.41 -0.65 0.00 0.00 174.74 173.04 1ba9 n GLY 72 N 0.52 2.20 3.68 1.59 0.00 -1.25 -3.93 105.19 108.00 1ba9 n GLY 72 Ca 0.09 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.31 2.48 0.00 -0.02 0.00 -1.21 -4.61 107.32 103.65 1ba9 s GLY 73 Ca 0.00 -2.07 0.08 0.00 0.00 0.00 0.00 44.72 42.73 1ba9 s GLY 73 CO 0.00 -2.04 1.10 -1.55 0.00 0.00 0.00 173.10 170.62 1ba9 n PRO 74 N -1.11 0.13 -0.35 2.90 -0.04 -1.22 -1.64 135.00 133.67 1ba9 n PRO 74 Ca -0.05 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1ba9 n PRO 74 Cb 0.66 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.74 1ba9 n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ba9 n LYS 75 N -1.25 1.00 -4.23 0.54 4.76 -1.26 -5.05 118.16 112.67 1ba9 n LYS 75 Ca 0.04 -2.37 -0.23 0.00 -2.87 0.00 0.00 58.31 52.88 1ba9 n LYS 75 Cb 0.06 -1.23 -0.07 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.52 4.53 0.16 4.39 1.01 -0.65 -5.04 116.67 118.55 1ba9 s ASP 76 Ca 0.27 -0.76 -0.15 0.00 0.71 0.00 0.00 52.55 52.61 1ba9 s ASP 76 Cb 0.25 -0.74 0.05 0.00 1.01 0.00 0.00 42.92 43.49 1ba9 s ASP 76 CO -0.01 -0.16 1.81 -0.33 0.21 0.00 0.00 175.17 176.69 1ba9 h GLU 77 N 1.74 0.54 -6.27 8.23 4.39 -1.97 -3.43 114.58 117.81 1ba9 h GLU 77 Ca -0.44 -0.03 -0.55 0.00 0.34 0.00 0.00 59.36 58.68 1ba9 h GLU 77 Cb 1.25 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 1ba9 h GLU 77 CO 0.63 0.36 -0.27 -1.83 -1.16 0.00 0.00 179.01 176.74 1ba9 s GLU 78 N -6.15 3.61 0.00 2.33 1.03 -1.26 -5.08 118.70 113.17 1ba9 s GLU 78 Ca -0.13 -0.11 0.00 0.00 0.03 0.00 0.00 54.97 54.76 1ba9 s GLU 78 Cb 0.12 -2.79 0.00 0.00 -0.80 0.00 0.00 34.13 30.66 1ba9 s GLU 78 CO 0.73 0.39 0.00 2.89 -1.33 0.00 0.00 175.26 177.94 1ba9 n ARG 79 N -0.33 0.00 -1.31 -4.83 1.85 -1.10 -3.36 116.66 107.58 1ba9 n ARG 79 Ca -0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.60 1ba9 n ARG 79 Cb 0.53 0.00 0.17 0.00 -1.05 0.00 0.00 32.46 32.11 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 -0.27 -3.92 0.13 2.89 8.25 -1.25 -4.83 115.22 116.23 1ba9 n HIS 80 Ca 0.00 -0.87 -0.13 0.00 -0.26 0.00 0.00 57.72 56.45 1ba9 n HIS 80 Cb 0.00 -0.82 -0.08 0.00 1.12 0.00 0.00 29.99 30.21 1ba9 n HIS 80 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ba9 h VAL 81 N -1.81 0.81 -0.21 1.59 3.04 -1.93 -3.03 116.25 114.71 1ba9 h VAL 81 Ca -0.33 -0.53 -0.04 0.00 -1.01 0.00 0.00 66.70 64.79 1ba9 h VAL 81 Cb 0.93 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.29 1ba9 h VAL 81 CO 0.23 0.11 0.05 0.61 -1.01 0.00 0.00 177.57 177.56 1ba9 n GLY 82 N -0.46 2.16 2.66 3.17 0.00 -1.25 -4.70 105.19 106.77 1ba9 n GLY 82 Ca -0.09 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 0.14 4.89 -1.94 1.61 9.92 -1.15 -3.30 116.55 126.73 1ba9 n ASP 83 Ca 0.11 -2.82 -0.14 0.00 -0.53 0.00 0.00 54.79 51.41 1ba9 n ASP 83 Cb 0.62 -1.62 -0.02 0.00 -0.64 0.00 0.00 41.12 39.45 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 5.41 6.00 0.00 0.64 4.77 -1.24 -3.46 117.00 129.13 1ba9 n LEU 84 Ca 0.56 -3.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 1ba9 n LEU 84 Cb 0.36 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1ba9 n LEU 84 CO 0.88 1.35 0.00 0.61 -1.33 0.00 0.00 177.39 178.91 1ba9 n GLY 85 N 1.08 0.79 3.24 -0.72 0.00 -1.26 -4.59 105.19 103.73 1ba9 n GLY 85 Ca 0.29 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.68 0.16 0.33 1.61 2.20 -1.26 -1.26 114.94 115.03 1ba9 s ASN 86 Ca 0.00 -0.93 0.07 0.00 -0.94 0.00 0.00 52.86 51.06 1ba9 s ASN 86 Cb 0.00 0.36 -0.06 0.00 -2.00 0.00 0.00 41.25 39.55 1ba9 s ASN 86 CO 0.00 -0.80 -0.04 0.68 -2.94 0.00 0.00 177.10 174.00 1ba9 s VAL 87 N -3.97 1.84 -0.32 3.54 -7.23 0.03 -4.89 120.40 109.40 1ba9 s VAL 87 Ca 0.16 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1ba9 s VAL 87 Cb 0.05 -2.66 0.05 0.00 0.56 0.00 0.00 36.38 34.39 1ba9 s VAL 87 CO -0.02 -0.18 0.05 -0.89 -0.31 0.00 0.00 175.10 173.75 1ba9 s THR 88 N -2.87 3.26 0.36 5.32 2.01 -1.26 -0.25 115.64 122.22 1ba9 s THR 88 Ca 0.32 -1.36 -0.26 0.00 0.31 0.00 0.00 61.69 60.70 1ba9 s THR 88 Cb 0.05 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.57 1ba9 s THR 88 CO 0.15 -0.18 1.11 0.00 -0.69 0.00 0.00 174.62 175.01 1ba9 s ALA 89 N 1.29 3.21 0.94 7.40 0.00 0.33 -4.24 121.76 130.68 1ba9 s ALA 89 Ca -0.03 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1ba9 s ALA 89 Cb -0.20 -3.33 0.19 0.00 0.00 0.00 0.00 23.12 19.78 1ba9 s ALA 89 CO -0.00 -0.32 1.30 0.34 0.00 0.00 0.00 175.76 177.08 1ba9 s ASP 90 N -1.20 3.23 0.31 0.00 -1.08 0.48 -1.82 116.67 116.59 1ba9 s ASP 90 Ca 0.54 0.24 0.22 0.00 -0.52 0.00 0.00 52.55 53.03 1ba9 s ASP 90 Cb -0.28 -0.32 1.14 0.00 -1.46 0.00 0.00 42.92 42.01 1ba9 s ASP 90 CO 0.36 -2.66 1.67 2.29 0.52 0.00 0.00 175.17 177.34 1ba9 n LYS 91 N -3.70 0.15 0.00 4.34 0.00 -1.26 -0.45 118.16 117.24 1ba9 n LYS 91 Ca 0.15 0.61 0.13 0.00 -0.00 0.00 0.00 58.31 59.20 1ba9 n LYS 91 Cb 0.60 -1.95 0.34 0.00 -0.00 0.00 0.00 35.03 34.02 1ba9 n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ba9 n ASP 92 N -2.26 1.34 -1.07 -5.58 2.03 -1.26 -4.83 116.55 104.93 1ba9 n ASP 92 Ca -0.01 -1.15 -0.09 0.00 0.52 0.00 0.00 54.79 54.07 1ba9 n ASP 92 Cb 0.06 0.15 -0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 1.32 0.05 3.24 0.27 0.00 0.41 -4.70 105.19 105.78 1ba9 n GLY 93 Ca 0.13 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.51 2.90 -0.40 1.61 1.01 -1.26 -1.12 120.40 120.63 1ba9 s VAL 94 Ca 0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1ba9 s VAL 94 Cb -0.01 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 34.13 1ba9 s VAL 94 CO 0.03 0.45 0.23 0.00 0.00 0.00 0.00 175.10 175.82 1ba9 s ALA 95 N 1.41 3.26 -0.41 5.51 0.00 -1.25 -0.39 121.76 129.88 1ba9 s ALA 95 Ca 0.05 -2.06 -0.29 0.00 0.00 0.00 0.00 51.96 49.66 1ba9 s ALA 95 Cb -0.14 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.41 1ba9 s ALA 95 CO -0.07 -1.59 1.13 0.34 0.00 0.00 0.00 175.76 175.58 1ba9 s ASP 96 N 1.96 6.73 0.07 0.00 -1.08 -1.26 -1.75 116.67 121.34 1ba9 s ASP 96 Ca 0.02 0.72 -0.10 0.00 -0.52 0.00 0.00 52.55 52.67 1ba9 s ASP 96 Cb -0.22 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.63 1ba9 s ASP 96 CO 0.03 -1.12 0.40 -0.69 0.52 0.00 0.00 175.17 174.30 1ba9 s VAL 97 N 4.20 5.10 -0.33 1.11 1.01 0.24 -4.79 120.40 126.94 1ba9 s VAL 97 Ca 0.48 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.95 1ba9 s VAL 97 Cb -0.09 -3.65 0.19 0.00 0.00 0.00 0.00 36.38 32.83 1ba9 s VAL 97 CO 0.25 0.32 0.75 -0.94 0.00 0.00 0.00 175.10 175.49 1ba9 s SER 98 N -1.68 -1.20 0.32 3.32 1.04 -1.26 -0.82 113.70 113.41 1ba9 s SER 98 Ca 0.32 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.58 1ba9 s SER 98 Cb -0.14 1.66 0.01 0.00 0.10 0.00 0.00 66.02 67.64 1ba9 s SER 98 CO 0.17 -0.19 0.43 0.00 0.98 0.00 0.00 173.24 174.64 1ba9 n ILE 99 N 4.86 0.00 -3.73 -1.02 3.06 0.26 -5.00 119.36 117.78 1ba9 n ILE 99 Ca 0.08 -1.65 -0.14 0.00 -2.50 0.00 0.00 62.75 58.54 1ba9 n ILE 99 Cb 0.57 1.00 -0.09 0.00 0.54 0.00 0.00 39.64 41.66 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 -2.75 0.68 0.07 9.51 -1.05 -1.26 -0.68 118.70 123.23 1ba9 s GLU 100 Ca 0.27 -0.08 0.01 0.00 -0.15 0.00 0.00 54.97 55.02 1ba9 s GLU 100 Cb -0.01 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 1ba9 s GLU 100 CO 0.19 -0.19 -0.05 0.34 0.95 0.00 0.00 175.26 176.50 1ba9 s ASP 101 N -1.16 0.86 -0.38 0.83 -1.08 -0.02 -4.96 116.67 110.76 1ba9 s ASP 101 Ca -0.12 -0.91 0.06 0.00 -0.52 0.00 0.00 52.55 51.06 1ba9 s ASP 101 Cb -0.04 0.12 0.47 0.00 -1.46 0.00 0.00 42.92 42.01 1ba9 s ASP 101 CO 0.04 -0.46 1.47 -1.20 0.52 0.00 0.00 175.17 175.55 1ba9 n SER 102 N 0.32 4.68 0.07 -0.34 7.64 -1.26 -0.37 113.62 124.35 1ba9 n SER 102 Ca -0.15 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 55.95 1ba9 n SER 102 Cb 0.60 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.90 0.20 -2.10 0.44 3.14 -1.26 -4.98 118.33 112.86 1ba9 n VAL 103 Ca 0.44 0.07 -0.41 0.00 -2.96 0.00 0.00 64.34 61.48 1ba9 n VAL 103 Cb 0.92 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 32.87 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 -2.00 2.90 0.29 1.55 -4.36 -1.26 -4.71 121.20 113.60 1ba9 s ILE 104 Ca 0.00 0.75 -0.08 0.00 -0.26 0.00 0.00 60.65 61.06 1ba9 s ILE 104 Cb 0.00 -3.48 -0.00 0.00 1.25 0.00 0.00 42.46 40.23 1ba9 s ILE 104 CO 0.00 0.12 0.46 -0.44 0.24 0.00 0.00 174.94 175.32 1ba9 s SER 105 N 0.35 0.33 -0.04 4.36 0.01 -1.26 -3.99 113.70 113.45 1ba9 s SER 105 Ca 0.58 -1.20 0.06 0.00 1.31 0.00 0.00 55.95 56.69 1ba9 s SER 105 Cb -0.40 0.61 0.24 0.00 0.21 0.00 0.00 66.02 66.68 1ba9 s SER 105 CO 0.41 -1.21 1.01 0.18 0.41 0.00 0.00 173.24 174.04 1ba9 n LEU 106 N -0.45 1.97 -3.81 2.44 4.32 -1.26 -0.35 117.00 119.85 1ba9 n LEU 106 Ca -0.01 -0.99 -0.04 0.00 -0.02 0.00 0.00 56.01 54.95 1ba9 n LEU 106 Cb 0.62 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1ba9 n LEU 106 CO 0.26 0.34 0.71 -0.94 -1.22 0.00 0.00 177.39 176.55 1ba9 s SER 107 N -0.56 -0.09 -0.85 -1.43 1.04 -1.26 -4.60 113.70 105.94 1ba9 s SER 107 Ca 0.16 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 1ba9 s SER 107 Cb 0.11 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.74 1ba9 s SER 107 CO 0.07 -1.07 0.74 0.61 0.98 0.00 0.00 173.24 174.57 1ba9 n GLY 108 N -0.56 -0.70 4.51 7.32 0.00 -1.26 -3.66 105.19 110.83 1ba9 n GLY 108 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 109 N -2.87 0.00 -0.42 1.61 8.00 -1.26 -4.57 116.55 117.04 1ba9 n ASP 109 Ca -0.07 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.52 1ba9 n ASP 109 Cb 0.60 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 42.05 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ba9 n HIS 110 N 0.00 0.20 -0.95 1.24 8.25 -1.24 -4.97 115.22 117.75 1ba9 n HIS 110 Ca 0.00 -0.10 -0.33 0.00 -0.26 0.00 0.00 57.72 57.03 1ba9 n HIS 110 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ba9 n SER 111 N 0.07 0.33 0.29 0.41 2.88 -1.17 -4.20 113.62 112.23 1ba9 n SER 111 Ca 0.14 0.26 0.18 0.00 -1.33 0.00 0.00 58.87 58.12 1ba9 n SER 111 Cb 0.25 -0.62 0.83 0.00 -0.75 0.00 0.00 64.21 63.92 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1ba9 h ILE 112 N 5.15 0.10 -2.22 2.46 3.07 -0.96 -3.42 117.51 121.69 1ba9 h ILE 112 Ca -0.05 -0.41 -0.55 0.00 1.55 0.00 0.00 64.86 65.40 1ba9 h ILE 112 Cb 0.92 1.36 0.01 0.00 -0.27 0.00 0.00 36.82 38.85 1ba9 h ILE 112 CO 0.86 0.03 1.33 -0.38 -1.05 0.00 0.00 178.15 178.94 1ba9 n ILE 113 N -3.17 0.62 -1.39 0.16 2.08 -1.26 -2.12 119.36 114.28 1ba9 n ILE 113 Ca -0.01 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1ba9 n ILE 113 Cb 0.24 -2.42 0.00 0.00 -0.75 0.00 0.00 39.64 36.71 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 5.00 0.84 3.39 7.39 0.00 0.16 -5.02 105.19 116.94 1ba9 n GLY 114 Ca 0.24 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.66 2.32 -0.57 1.61 1.81 -0.90 -4.78 118.95 115.78 1ba9 s ARG 115 Ca 0.00 -0.82 -0.27 0.00 -1.72 0.00 0.00 55.73 52.92 1ba9 s ARG 115 Cb 0.00 -2.21 -0.01 0.00 -0.45 0.00 0.00 34.95 32.29 1ba9 s ARG 115 CO 0.00 0.58 1.67 0.99 -0.68 0.00 0.00 175.30 177.86 1ba9 s THR 116 N -0.64 3.52 0.03 0.02 2.01 -0.93 -1.18 115.64 118.48 1ba9 s THR 116 Ca 0.10 0.39 -0.22 0.00 0.31 0.00 0.00 61.69 62.27 1ba9 s THR 116 Cb -0.10 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.22 1ba9 s THR 116 CO -0.00 -1.00 0.64 -0.22 -0.69 0.00 0.00 174.62 173.35 1ba9 s LEU 117 N 7.64 4.45 0.00 4.42 2.96 0.87 -0.40 118.68 138.63 1ba9 s LEU 117 Ca 0.62 1.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 1ba9 s LEU 117 Cb -0.13 -3.01 -0.00 0.00 0.50 0.00 0.00 46.19 43.54 1ba9 s LEU 117 CO 0.23 0.12 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.68 1ba9 s VAL 118 N -0.38 0.08 0.02 1.68 1.01 -0.21 -0.65 120.40 121.95 1ba9 s VAL 118 Ca 0.33 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1ba9 s VAL 118 Cb -0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1ba9 s VAL 118 CO 0.19 -0.09 -0.04 0.54 0.00 0.00 0.00 175.10 175.71 1ba9 s VAL 119 N -0.31 3.86 0.24 2.92 0.11 -0.24 -1.70 120.40 125.27 1ba9 s VAL 119 Ca -0.03 -0.79 0.09 0.00 -2.93 0.00 0.00 61.98 58.32 1ba9 s VAL 119 Cb -0.02 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 1ba9 s VAL 119 CO -0.00 0.32 -0.00 -1.00 -3.33 0.00 0.00 175.10 171.09 1ba9 s HIS 120 N -1.09 2.74 0.01 1.54 3.76 0.19 -1.53 115.29 120.91 1ba9 s HIS 120 Ca 0.20 -0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 54.78 1ba9 s HIS 120 Cb -0.11 -1.25 -0.07 0.00 1.11 0.00 0.00 32.58 32.25 1ba9 s HIS 120 CO 0.11 0.58 1.03 1.49 -0.85 0.00 0.00 174.74 177.10 1ba9 h GLU 121 N 2.15 -0.45 -7.61 1.40 4.22 -0.91 -3.29 114.58 110.08 1ba9 h GLU 121 Ca -0.45 0.03 -0.47 0.00 0.08 0.00 0.00 59.36 58.55 1ba9 h GLU 121 Cb 1.23 0.10 0.10 0.00 0.50 0.00 0.00 28.75 30.69 1ba9 h GLU 121 CO 0.59 -0.30 0.40 0.15 -2.18 0.00 0.00 179.01 177.67 1ba9 s LYS 122 N -3.74 1.86 0.42 1.92 1.02 0.14 -4.33 119.74 117.04 1ba9 s LYS 122 Ca -0.07 0.12 -0.25 0.00 0.02 0.00 0.00 55.97 55.79 1ba9 s LYS 122 Cb 0.01 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.30 1ba9 s LYS 122 CO 0.21 -1.67 1.26 0.00 -0.92 0.00 0.00 175.35 174.22 1ba9 s ALA 123 N -3.56 3.16 0.06 5.17 0.00 -0.69 -0.87 121.76 125.04 1ba9 s ALA 123 Ca 0.62 1.14 -0.30 0.00 0.00 0.00 0.00 51.96 53.42 1ba9 s ALA 123 Cb -0.11 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 1ba9 s ALA 123 CO 0.49 -0.78 1.76 0.34 0.00 0.00 0.00 175.76 177.58 1ba9 s ASP 124 N -0.93 6.54 0.00 0.00 -1.08 -1.26 -4.16 116.67 115.78 1ba9 s ASP 124 Ca 0.59 2.55 0.28 0.00 -0.52 0.00 0.00 52.55 55.45 1ba9 s ASP 124 Cb -0.35 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 40.01 1ba9 s ASP 124 CO 0.45 -0.95 1.96 -0.67 0.52 0.00 0.00 175.17 176.47 1ba9 n ASP 125 N 6.26 0.56 -3.79 -0.34 2.03 0.72 -4.79 116.55 117.20 1ba9 n ASP 125 Ca 0.17 -1.26 -0.29 0.00 0.52 0.00 0.00 54.79 53.94 1ba9 n ASP 125 Cb 0.40 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.53 -1.09 0.00 -2.67 4.77 -1.26 -0.74 117.00 115.48 1ba9 n LEU 126 Ca 0.20 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1ba9 n LEU 126 Cb 0.19 -1.76 0.00 0.00 -2.33 0.00 0.00 43.42 39.52 1ba9 n LEU 126 CO 0.16 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1ba9 n GLY 127 N -1.07 0.17 0.19 -0.72 0.00 -1.24 -4.35 105.19 98.18 1ba9 n GLY 127 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ba9 h LYS 128 N 0.41 0.00 0.00 1.61 2.10 -1.25 -2.88 116.57 116.57 1ba9 h LYS 128 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ba9 h LYS 128 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1ba9 h LYS 128 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1ba9 n GLY 129 N -0.04 -0.93 3.51 0.07 0.00 -1.26 -4.92 105.19 101.62 1ba9 n GLY 129 Ca 0.01 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 0.24 -0.38 3.64 -0.02 0.00 -1.09 -4.99 105.19 102.59 1ba9 n GLY 130 Ca 0.07 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.31 -0.78 0.03 1.61 2.47 -1.26 -5.03 114.94 107.66 1ba9 s ASN 131 Ca 0.03 1.33 -0.06 0.00 0.42 0.00 0.00 52.86 54.58 1ba9 s ASN 131 Cb -0.00 1.33 -0.01 0.00 -1.45 0.00 0.00 41.25 41.12 1ba9 s ASN 131 CO 0.76 -0.22 0.51 -0.62 -3.72 0.00 0.00 177.10 173.81 1ba9 n GLU 132 N 3.60 -0.08 -0.06 0.43 4.71 -1.26 -0.14 120.64 127.85 1ba9 n GLU 132 Ca -0.18 0.51 -0.10 0.00 -0.01 0.00 0.00 57.16 57.38 1ba9 n GLU 132 Cb 0.57 -0.75 -0.04 0.00 -1.01 0.00 0.00 31.44 30.22 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1ba9 h GLN 133 N 0.00 -0.34 -0.24 3.49 -0.00 -1.98 0.71 115.11 116.75 1ba9 h GLN 133 Ca 0.03 0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.74 1ba9 h GLN 133 Cb 0.07 0.08 -0.07 0.00 0.00 0.00 0.00 27.48 27.56 1ba9 h GLN 133 CO -0.17 -0.23 -0.52 0.77 0.00 0.00 0.00 178.83 178.68 1ba9 h SER 134 N -0.35 -1.69 0.00 -0.69 0.02 -1.64 0.59 113.55 109.78 1ba9 h SER 134 Ca 0.12 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1ba9 h SER 134 Cb 0.56 0.68 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1ba9 h SER 134 CO -0.45 -0.45 0.00 0.35 -1.14 0.00 0.00 176.83 175.14 1ba9 n THR 135 N -5.42 0.00 0.00 -2.27 -2.24 0.80 0.13 114.28 105.29 1ba9 n THR 135 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ba9 n THR 135 Cb 0.37 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ba9 n LYS 136 N -0.71 1.45 0.00 -0.78 4.81 0.23 -0.23 118.16 122.94 1ba9 n LYS 136 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1ba9 n LYS 136 Cb 0.04 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.09 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 -2.32 0.00 -0.46 3.15 -2.24 0.20 -4.62 114.28 108.00 1ba9 n THR 137 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ba9 n THR 137 Cb 0.50 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 2.14 0.80 2.34 3.38 0.00 0.12 -4.27 105.19 109.70 1ba9 n GLY 138 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 0.83 -4.11 0.00 1.61 5.15 -1.23 -0.20 115.26 117.31 1ba9 n ASN 139 Ca 0.00 0.21 0.16 0.00 -0.60 0.00 0.00 54.58 54.34 1ba9 n ASN 139 Cb 0.02 -3.55 0.88 0.00 -0.53 0.00 0.00 39.78 36.60 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 n ALA 140 N -1.47 2.61 -0.37 5.20 0.00 -1.26 -4.83 120.51 120.40 1ba9 n ALA 140 Ca -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ba9 n ALA 140 Cb 0.58 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 1.09 -1.53 3.66 0.00 0.00 -1.26 0.28 105.19 107.43 1ba9 n GLY 141 Ca 0.20 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 2.83 -0.44 1.61 0.15 -1.26 -4.51 113.70 108.09 1ba9 s SER 142 Ca 0.00 1.59 -0.24 0.00 0.70 0.00 0.00 55.95 58.01 1ba9 s SER 142 Cb 0.00 -2.25 0.02 0.00 -1.71 0.00 0.00 66.02 62.08 1ba9 s SER 142 CO 0.00 -3.06 0.83 -0.13 1.20 0.00 0.00 173.24 172.09 1ba9 s ARG 143 N -4.79 3.52 0.19 5.44 3.00 -1.26 -0.85 118.95 124.20 1ba9 s ARG 143 Ca 0.65 0.07 -0.04 0.00 0.00 0.00 0.00 55.73 56.41 1ba9 s ARG 143 Cb -0.20 -3.91 0.13 0.00 0.00 0.00 0.00 34.95 30.97 1ba9 s ARG 143 CO 0.59 -1.10 1.55 -0.07 0.00 0.00 0.00 175.30 176.26 1ba9 h LEU 144 N 10.21 0.73 -7.26 2.53 -0.00 -1.55 -3.47 115.31 116.49 1ba9 h LEU 144 Ca -0.24 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.88 57.24 1ba9 h LEU 144 Cb 1.08 -0.20 -0.16 0.00 -0.00 0.00 0.00 40.66 41.38 1ba9 h LEU 144 CO 0.97 1.05 -0.01 0.00 -0.00 0.00 0.00 178.44 180.45 1ba9 s ALA 145 N -4.27 -1.21 0.02 1.53 0.00 -1.21 -4.08 121.76 112.55 1ba9 s ALA 145 Ca -0.09 0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1ba9 s ALA 145 Cb 0.12 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1ba9 s ALA 145 CO 0.84 -0.51 0.03 0.00 0.00 0.00 0.00 175.76 176.12 1ba9 s GLY 147 N -1.76 0.21 -0.01 0.00 0.00 0.17 -0.76 107.32 105.18 1ba9 s GLY 147 Ca -0.11 -0.53 0.07 0.00 0.00 0.00 0.00 44.72 44.15 1ba9 s GLY 147 CO -0.02 0.56 -0.23 -1.34 0.00 0.00 0.00 173.10 172.07 1ba9 s VAL 148 N -2.47 1.78 -0.15 1.40 -7.23 -1.26 -0.09 120.40 112.39 1ba9 s VAL 148 Ca 0.17 -0.99 -0.25 0.00 -1.81 0.00 0.00 61.98 59.10 1ba9 s VAL 148 Cb -0.04 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1ba9 s VAL 148 CO 0.09 0.48 0.79 -0.63 -0.31 0.00 0.00 175.10 175.51 1ba9 s ILE 149 N -0.56 4.93 0.21 -0.62 1.01 -0.32 -4.20 121.20 121.65 1ba9 s ILE 149 Ca 0.09 1.56 -0.05 0.00 0.00 0.00 0.00 60.65 62.25 1ba9 s ILE 149 Cb -0.09 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1ba9 s ILE 149 CO -0.01 0.08 0.24 -0.83 0.00 0.00 0.00 174.94 174.43 1ba9 s GLY 150 N 1.10 1.12 0.39 6.18 0.00 -0.22 -0.67 107.32 115.23 1ba9 s GLY 150 Ca 0.37 -1.41 -0.27 0.00 0.00 0.00 0.00 44.72 43.41 1ba9 s GLY 150 CO 0.14 -1.14 1.33 -0.42 0.00 0.00 0.00 173.10 173.01 1ba9 s ILE 151 N -4.11 2.53 0.27 0.90 1.09 -1.26 -0.15 121.20 120.47 1ba9 s ILE 151 Ca 0.33 0.49 0.05 0.00 -1.10 0.00 0.00 60.65 60.42 1ba9 s ILE 151 Cb 0.04 -3.30 -0.02 0.00 -1.06 0.00 0.00 42.46 38.12 1ba9 s ILE 151 CO 0.11 0.09 0.40 0.00 -0.10 0.00 0.00 174.94 175.43 1ba9 s ALA 152 N -1.22 4.00 -2.00 9.38 0.00 -0.47 -4.61 121.76 126.84 1ba9 s ALA 152 Ca 0.55 -1.28 0.16 0.00 0.00 0.00 0.00 51.96 51.40 1ba9 s ALA 152 Cb -0.40 -1.73 0.97 0.00 0.00 0.00 0.00 23.12 21.96 1ba9 s ALA 152 CO 0.52 0.16 1.38 1.04 0.00 0.00 0.00 175.76 178.85