#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 1.62 -2.77 0.00 5.66 -1.26 -1.18 114.28 116.35 1ba9 n THR 2 Ca 0.00 -1.13 0.01 0.00 -3.05 0.00 0.00 64.05 59.88 1ba9 n THR 2 Cb 0.00 0.22 0.01 0.00 -1.55 0.00 0.00 70.33 69.01 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 -1.63 0.20 0.22 1.09 -2.85 -1.25 -4.72 119.74 110.79 1ba9 s LYS 3 Ca 0.51 -0.08 0.10 0.00 -1.00 0.00 0.00 55.97 55.50 1ba9 s LYS 3 Cb 0.31 0.02 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1ba9 s LYS 3 CO 0.27 -0.28 -0.19 0.00 0.10 0.00 0.00 175.35 175.26 1ba9 s ALA 4 N 1.86 2.35 0.04 0.59 0.00 0.51 -0.83 121.76 126.28 1ba9 s ALA 4 Ca 0.15 -1.70 -0.00 0.00 0.00 0.00 0.00 51.96 50.42 1ba9 s ALA 4 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1ba9 s ALA 4 CO -0.14 0.23 -0.04 0.54 0.00 0.00 0.00 175.76 176.35 1ba9 s VAL 5 N -2.42 0.22 -0.16 0.00 0.11 0.31 -0.55 120.40 117.90 1ba9 s VAL 5 Ca 0.23 -1.27 -0.04 0.00 -2.93 0.00 0.00 61.98 57.98 1ba9 s VAL 5 Cb -0.04 -0.77 0.06 0.00 -1.53 0.00 0.00 36.38 34.09 1ba9 s VAL 5 CO 0.10 -0.67 0.06 0.00 -3.33 0.00 0.00 175.10 171.26 1ba9 s ALA 6 N -2.35 0.63 -0.68 1.54 0.00 0.18 -0.58 121.76 120.50 1ba9 s ALA 6 Ca -0.07 -0.39 -0.24 0.00 0.00 0.00 0.00 51.96 51.27 1ba9 s ALA 6 Cb -0.03 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.11 1ba9 s ALA 6 CO -0.04 -1.07 1.05 0.14 0.00 0.00 0.00 175.76 175.84 1ba9 s VAL 7 N 2.03 4.15 0.38 0.00 -7.23 -1.25 -0.63 120.40 117.86 1ba9 s VAL 7 Ca 0.01 -0.14 -0.26 0.00 -1.81 0.00 0.00 61.98 59.78 1ba9 s VAL 7 Cb -0.16 -4.75 -0.09 0.00 0.56 0.00 0.00 36.38 31.94 1ba9 s VAL 7 CO -0.08 -1.57 1.23 -0.76 -0.31 0.00 0.00 175.10 173.61 1ba9 s LEU 8 N 4.53 4.26 -0.11 1.32 1.02 0.12 -4.38 118.68 125.45 1ba9 s LEU 8 Ca 0.26 2.49 -0.26 0.00 0.02 0.00 0.00 54.13 56.64 1ba9 s LEU 8 Cb -0.14 -3.90 0.06 0.00 0.02 0.00 0.00 46.19 42.22 1ba9 s LEU 8 CO 0.12 -0.68 0.62 -0.75 0.02 0.00 0.00 176.35 175.67 1ba9 s LYS 9 N -2.15 0.91 0.00 1.70 2.20 0.37 -0.92 119.74 121.85 1ba9 s LYS 9 Ca 0.55 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 1ba9 s LYS 9 Cb -0.35 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1ba9 s LYS 9 CO 0.44 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 1ba9 n GLY 10 N 1.56 6.09 0.32 5.54 0.00 -0.74 -0.72 105.19 117.26 1ba9 n GLY 10 Ca -0.18 -1.88 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 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 1.04 -3.28 1.61 3.58 -1.89 -3.45 116.42 114.03 1ba9 h ASP 11 Ca 0.00 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1ba9 h ASP 11 Cb 0.00 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.78 1ba9 h ASP 11 CO 0.00 1.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.97 1ba9 n GLY 12 N -0.69 1.47 0.00 -0.78 0.00 -1.26 -4.99 105.19 98.93 1ba9 n GLY 12 Ca 0.05 -2.04 0.15 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.80 0.70 -1.57 1.61 -0.04 -1.26 -4.77 135.00 128.86 1ba9 n PRO 13 Ca 0.00 0.01 -0.60 0.00 -0.04 0.00 0.00 63.50 62.86 1ba9 n PRO 13 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1ba9 n PRO 13 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ba9 n VAL 14 N -1.13 0.12 -3.80 0.52 3.14 -1.26 -4.70 118.33 111.23 1ba9 n VAL 14 Ca 0.18 -0.05 -0.11 0.00 -2.96 0.00 0.00 64.34 61.40 1ba9 n VAL 14 Cb 0.16 -0.89 -0.08 0.00 -1.06 0.00 0.00 33.84 31.97 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ba9 s GLN 15 N 4.37 0.75 -0.23 1.45 -2.07 -0.76 -1.78 119.66 121.38 1ba9 s GLN 15 Ca 1.07 -0.55 -0.13 0.00 -1.82 0.00 0.00 55.36 53.94 1ba9 s GLN 15 Cb -1.27 0.32 0.07 0.00 -1.09 0.00 0.00 33.01 31.03 1ba9 s GLN 15 CO 0.68 -0.23 0.57 0.20 -1.32 0.00 0.00 175.29 175.20 1ba9 s GLY 16 N -2.03 -0.51 -0.52 2.60 0.00 -0.10 0.58 107.32 107.35 1ba9 s GLY 16 Ca -0.06 2.05 -0.23 0.00 0.00 0.00 0.00 44.72 46.49 1ba9 s GLY 16 CO -0.03 2.11 0.84 -0.42 0.00 0.00 0.00 173.10 175.60 1ba9 s ILE 17 N 1.56 4.55 0.27 0.90 1.09 -1.15 0.15 121.20 128.57 1ba9 s ILE 17 Ca -0.10 0.13 -0.12 0.00 -1.10 0.00 0.00 60.65 59.47 1ba9 s ILE 17 Cb -0.07 -4.44 -0.08 0.00 -1.06 0.00 0.00 42.46 36.82 1ba9 s ILE 17 CO -0.17 -0.96 0.63 -0.63 -0.10 0.00 0.00 174.94 173.71 1ba9 s ILE 18 N 3.51 4.83 0.00 2.92 -1.09 0.20 -2.42 121.20 129.15 1ba9 s ILE 18 Ca 0.27 0.65 0.04 0.00 -2.23 0.00 0.00 60.65 59.38 1ba9 s ILE 18 Cb -0.14 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1ba9 s ILE 18 CO 0.18 -0.13 -0.14 0.20 -1.23 0.00 0.00 174.94 173.83 1ba9 s ASN 19 N -2.35 1.61 -0.04 3.58 -0.87 0.72 -0.64 114.94 116.95 1ba9 s ASN 19 Ca 0.50 -0.30 0.01 0.00 -1.57 0.00 0.00 52.86 51.51 1ba9 s ASN 19 Cb -0.11 -0.16 0.02 0.00 -0.02 0.00 0.00 41.25 40.98 1ba9 s ASN 19 CO 0.20 0.13 -0.06 -0.36 -2.57 0.00 0.00 177.10 174.44 1ba9 s PHE 20 N -0.45 0.84 -0.12 2.20 0.40 0.29 -1.14 117.98 119.99 1ba9 s PHE 20 Ca 0.04 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1ba9 s PHE 20 Cb -0.06 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.79 1ba9 s PHE 20 CO -0.00 -0.18 -0.17 -1.21 0.70 0.00 0.00 175.22 174.36 1ba9 s GLU 21 N 0.75 2.44 -0.00 0.44 2.02 0.02 -0.36 118.70 124.01 1ba9 s GLU 21 Ca -0.11 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 1ba9 s GLU 21 Cb -0.14 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 1ba9 s GLU 21 CO 0.01 -0.07 -0.06 0.94 0.02 0.00 0.00 175.26 176.10 1ba9 n GLN 22 N 4.23 0.08 0.00 1.61 -0.06 -0.41 -0.67 117.38 122.16 1ba9 n GLN 22 Ca -0.19 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 54.84 1ba9 n GLN 22 Cb 0.51 -0.47 0.00 0.00 -4.06 0.00 0.00 30.24 26.22 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1ba9 n LYS 23 N -3.07 0.00 -2.62 3.69 4.81 -0.33 -4.84 118.16 115.81 1ba9 n LYS 23 Ca -0.02 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.01 1ba9 n LYS 23 Cb 0.08 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.09 1ba9 n LYS 23 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1ba9 s GLU 24 N 0.00 4.70 0.25 1.64 2.56 -1.26 -4.83 118.70 121.76 1ba9 s GLU 24 Ca 0.00 1.60 -0.03 0.00 0.00 0.00 0.00 54.97 56.54 1ba9 s GLU 24 Cb 0.00 -3.29 0.46 0.00 2.00 0.00 0.00 34.13 33.30 1ba9 s GLU 24 CO 0.00 0.24 1.78 0.66 -0.56 0.00 0.00 175.26 177.39 1ba9 h SER 25 N 4.81 0.58 -0.24 -1.70 4.64 -1.90 -3.19 113.55 116.56 1ba9 h SER 25 Ca -0.44 0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 60.73 1ba9 h SER 25 Cb 1.21 -0.03 -0.33 0.00 -0.31 0.00 0.00 62.40 62.94 1ba9 h SER 25 CO 0.70 0.29 -0.93 0.59 -0.87 0.00 0.00 176.83 176.62 1ba9 n ASN 26 N -4.82 1.88 -5.00 4.97 4.13 -1.26 -4.84 115.26 110.33 1ba9 n ASN 26 Ca 0.15 -2.62 -0.19 0.00 1.68 0.00 0.00 54.58 53.60 1ba9 n ASN 26 Cb 0.35 -0.40 0.04 0.00 -1.54 0.00 0.00 39.78 38.24 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1ba9 s GLY 27 N -3.00 1.82 -0.15 7.41 0.00 -1.21 -5.06 107.32 107.14 1ba9 s GLY 27 Ca 0.35 -1.89 -0.29 0.00 0.00 0.00 0.00 44.72 42.89 1ba9 s GLY 27 CO -0.08 -1.54 1.45 2.56 0.00 0.00 0.00 173.10 175.49 1ba9 s PRO 28 N -4.58 4.12 0.58 2.90 0.04 -1.26 -4.71 135.00 132.08 1ba9 s PRO 28 Ca 0.59 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 63.25 1ba9 s PRO 28 Cb -0.08 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1ba9 s PRO 28 CO 0.37 -0.88 1.10 0.54 0.04 0.00 0.00 177.00 178.17 1ba9 s VAL 29 N 4.02 3.34 -0.17 -0.36 0.11 0.89 -4.87 120.40 123.36 1ba9 s VAL 29 Ca 0.63 0.74 -0.04 0.00 -2.93 0.00 0.00 61.98 60.38 1ba9 s VAL 29 Cb -0.25 -3.26 -0.03 0.00 -1.53 0.00 0.00 36.38 31.31 1ba9 s VAL 29 CO 0.22 -0.27 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.17 1ba9 s LYS 30 N -3.63 3.70 -0.02 1.54 -0.14 0.16 -2.05 119.74 119.30 1ba9 s LYS 30 Ca 0.69 -0.50 0.06 0.00 -1.36 0.00 0.00 55.97 54.86 1ba9 s LYS 30 Cb -0.21 -2.99 -0.01 0.00 -1.68 0.00 0.00 37.83 32.94 1ba9 s LYS 30 CO 0.32 0.20 -0.19 0.54 -0.76 0.00 0.00 175.35 175.46 1ba9 s VAL 31 N 0.49 1.52 0.26 3.17 0.11 -0.06 -0.80 120.40 125.09 1ba9 s VAL 31 Ca -0.02 -0.81 -0.21 0.00 -2.93 0.00 0.00 61.98 58.00 1ba9 s VAL 31 Cb -0.14 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.46 1ba9 s VAL 31 CO 0.02 0.43 0.73 -1.66 -3.33 0.00 0.00 175.10 171.30 1ba9 s TRP 32 N -0.33 -0.21 -0.38 1.54 -2.14 -0.29 -0.47 118.94 116.65 1ba9 s TRP 32 Ca 0.05 -0.23 0.00 0.00 2.66 0.00 0.00 56.10 58.58 1ba9 s TRP 32 Cb -0.09 0.70 0.00 0.00 -3.10 0.00 0.00 33.47 30.98 1ba9 s TRP 32 CO 0.00 -1.19 0.00 0.41 -2.66 0.00 0.00 176.95 173.52 1ba9 n GLY 33 N -0.46 -1.25 3.15 3.67 0.00 -0.41 -0.20 105.19 109.70 1ba9 n GLY 33 Ca -0.05 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.52 -1.48 0.93 1.61 1.04 -1.02 -0.52 113.70 110.74 1ba9 s SER 34 Ca 0.00 0.39 -0.12 0.00 0.48 0.00 0.00 55.95 56.70 1ba9 s SER 34 Cb 0.00 2.03 0.15 0.00 0.10 0.00 0.00 66.02 68.29 1ba9 s SER 34 CO 0.00 -0.27 1.10 -0.51 0.98 0.00 0.00 173.24 174.54 1ba9 s ILE 35 N 2.85 2.34 -0.34 -1.02 1.10 -0.61 -2.95 121.20 122.57 1ba9 s ILE 35 Ca 0.14 0.11 0.04 0.00 -0.51 0.00 0.00 60.65 60.43 1ba9 s ILE 35 Cb -0.11 -2.70 0.17 0.00 0.15 0.00 0.00 42.46 39.97 1ba9 s ILE 35 CO -0.24 -0.14 0.48 -0.75 -2.11 0.00 0.00 174.94 172.18 1ba9 s LYS 36 N -5.06 0.59 0.00 3.50 2.20 0.20 -3.77 119.74 117.39 1ba9 s LYS 36 Ca 0.64 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1ba9 s LYS 36 Cb -0.17 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.92 1ba9 s LYS 36 CO 0.56 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 1ba9 n GLY 37 N 4.86 -0.88 3.72 5.54 0.00 -0.01 -1.82 105.19 116.61 1ba9 n GLY 37 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba9 s LEU 38 N 0.00 1.46 0.56 0.99 2.01 -0.72 -4.32 118.68 118.66 1ba9 s LEU 38 Ca 0.00 0.55 -0.03 0.00 0.01 0.00 0.00 54.13 54.66 1ba9 s LEU 38 Cb 0.00 -2.43 0.02 0.00 0.01 0.00 0.00 46.19 43.78 1ba9 s LEU 38 CO 0.00 -3.54 0.84 0.28 1.01 0.00 0.00 176.35 174.94 1ba9 s THR 39 N -3.31 3.44 0.85 5.49 -1.32 -1.26 -4.19 115.64 115.34 1ba9 s THR 39 Ca 0.71 -0.25 -0.13 0.00 -1.21 0.00 0.00 61.69 60.81 1ba9 s THR 39 Cb -0.08 -3.34 0.05 0.00 -1.51 0.00 0.00 72.50 67.61 1ba9 s THR 39 CO 0.55 -0.31 0.79 -1.84 -2.21 0.00 0.00 174.62 171.60 1ba9 n GLU 40 N -2.46 -0.02 0.00 7.08 0.28 -1.24 -4.65 120.64 119.64 1ba9 n GLU 40 Ca 0.05 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1ba9 n GLU 40 Cb 0.58 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 31.34 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 1.06 -2.01 3.73 -1.84 0.00 -0.46 -4.84 105.19 100.84 1ba9 n GLY 41 Ca 0.10 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 4.52 -0.13 0.99 1.02 -1.26 -0.64 118.68 123.18 1ba9 s LEU 42 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 54.13 56.05 1ba9 s LEU 42 Cb 0.00 -3.60 0.02 0.00 0.02 0.00 0.00 46.19 42.64 1ba9 s LEU 42 CO 0.00 -0.07 -0.11 -1.00 0.02 0.00 0.00 176.35 175.19 1ba9 s HIS 43 N -0.27 1.88 0.42 0.29 3.76 0.59 -1.79 115.29 120.18 1ba9 s HIS 43 Ca 0.47 -1.02 -0.26 0.00 -0.15 0.00 0.00 55.06 54.10 1ba9 s HIS 43 Cb -0.25 -1.44 -0.10 0.00 1.11 0.00 0.00 32.58 31.89 1ba9 s HIS 43 CO 0.32 -0.61 1.29 0.41 -0.85 0.00 0.00 174.74 175.30 1ba9 n GLY 44 N 4.84 0.60 2.72 -2.22 0.00 -0.23 -0.67 105.19 110.24 1ba9 n GLY 44 Ca -0.15 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1ba9 n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ba9 s PHE 45 N -1.19 0.24 0.06 1.61 0.08 -0.35 -0.49 117.98 117.94 1ba9 s PHE 45 Ca 0.60 0.12 -0.10 0.00 0.12 0.00 0.00 56.93 57.67 1ba9 s PHE 45 Cb -0.51 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 1ba9 s PHE 45 CO 0.58 -0.21 0.22 -1.01 -0.10 0.00 0.00 175.22 174.70 1ba9 s HIS 46 N 1.94 0.05 -0.73 0.36 3.76 -0.97 -3.31 115.29 116.39 1ba9 s HIS 46 Ca 0.03 -0.35 -0.24 0.00 -0.15 0.00 0.00 55.06 54.34 1ba9 s HIS 46 Cb -0.12 -0.00 0.05 0.00 1.11 0.00 0.00 32.58 33.62 1ba9 s HIS 46 CO -0.03 -0.50 1.14 0.08 -0.85 0.00 0.00 174.74 174.58 1ba9 s VAL 47 N -3.16 4.05 0.64 -0.90 1.01 -0.94 -1.95 120.40 119.15 1ba9 s VAL 47 Ca -0.01 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1ba9 s VAL 47 Cb 0.02 -4.82 -0.01 0.00 0.00 0.00 0.00 36.38 31.57 1ba9 s VAL 47 CO -0.07 -1.67 1.08 -1.00 0.00 0.00 0.00 175.10 173.44 1ba9 s HIS 48 N 4.79 2.81 0.00 5.22 3.76 0.99 -2.62 115.29 130.24 1ba9 s HIS 48 Ca 0.30 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.73 1ba9 s HIS 48 Cb -0.11 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1ba9 s HIS 48 CO 0.10 -1.42 0.26 -1.91 -0.85 0.00 0.00 174.74 170.91 1ba9 n GLU 49 N -2.37 0.00 -3.66 1.40 4.07 0.08 -2.90 120.64 117.26 1ba9 n GLU 49 Ca 0.09 0.26 -0.13 0.00 -0.06 0.00 0.00 57.16 57.32 1ba9 n GLU 49 Cb 0.52 -0.61 -0.03 0.00 -0.06 0.00 0.00 31.44 31.27 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ba9 n GLU 50 N -0.62 0.62 -1.39 5.31 1.02 -1.26 -4.38 120.64 119.94 1ba9 n GLU 50 Ca 0.00 -2.42 -0.41 0.00 -0.02 0.00 0.00 57.16 54.31 1ba9 n GLU 50 Cb 0.00 2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 33.74 1ba9 n GLU 50 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ba9 n GLU 51 N -0.50 2.29 -3.59 3.49 0.00 -1.26 -3.84 120.64 117.22 1ba9 n GLU 51 Ca 0.00 -2.18 -0.38 0.00 0.00 0.00 0.00 57.16 54.60 1ba9 n GLU 51 Cb 0.51 -3.04 -0.06 0.00 0.00 0.00 0.00 31.44 28.85 1ba9 n GLU 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ba9 s ASP 52 N 3.90 6.00 0.25 4.31 2.15 -1.26 -4.94 116.67 127.09 1ba9 s ASP 52 Ca 0.52 -3.33 -0.02 0.00 0.43 0.00 0.00 52.55 50.15 1ba9 s ASP 52 Cb 0.14 -1.96 0.50 0.00 -0.30 0.00 0.00 42.92 41.30 1ba9 s ASP 52 CO 0.00 -0.30 1.75 -1.13 -0.17 0.00 0.00 175.17 175.33 1ba9 h ASN 53 N 6.59 0.42 -0.22 -0.34 -1.24 -1.78 -1.09 115.58 117.92 1ba9 h ASN 53 Ca 0.10 0.10 0.06 0.00 0.71 0.00 0.00 56.30 57.28 1ba9 h ASN 53 Cb 0.89 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 1ba9 h ASN 53 CO 0.81 0.17 0.36 0.00 -1.29 0.00 0.00 177.43 177.49 1ba9 h THR 54 N 0.54 0.23 0.00 -3.57 1.03 -1.88 -0.36 112.91 108.91 1ba9 h THR 54 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.84 1ba9 h THR 54 Cb 0.64 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1ba9 h THR 54 CO -0.38 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.13 1ba9 n ALA 55 N -2.16 1.59 0.00 0.00 0.00 -0.42 -4.94 120.51 114.59 1ba9 n ALA 55 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ba9 n ALA 55 Cb 0.48 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1ba9 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 56 N -0.14 -0.49 3.62 0.00 0.00 -0.14 -4.83 105.19 103.19 1ba9 n GLY 56 Ca 0.02 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.74 -0.28 -3.56 0.00 5.66 -1.26 -4.12 114.28 105.98 1ba9 n THR 58 Ca 0.15 1.48 -0.01 0.00 -3.05 0.00 0.00 64.05 62.61 1ba9 n THR 58 Cb 0.60 -2.40 -0.05 0.00 -1.55 0.00 0.00 70.33 66.92 1ba9 n THR 58 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ba9 s SER 59 N -4.55 -0.61 -0.39 1.09 0.01 -1.26 -3.71 113.70 104.28 1ba9 s SER 59 Ca -0.06 0.91 -0.00 0.00 1.31 0.00 0.00 55.95 58.10 1ba9 s SER 59 Cb 0.25 1.46 0.24 0.00 0.21 0.00 0.00 66.02 68.18 1ba9 s SER 59 CO 0.60 -0.14 1.05 0.00 0.41 0.00 0.00 173.24 175.16 1ba9 n ALA 60 N 4.33 -2.93 -0.39 1.44 0.00 -1.17 -4.39 120.51 117.40 1ba9 n ALA 60 Ca -0.15 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 1ba9 n ALA 60 Cb 0.55 -2.60 0.22 0.00 0.00 0.00 0.00 19.45 17.63 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 61 N 2.05 -3.42 3.65 0.00 0.00 -1.25 -4.58 105.19 101.65 1ba9 n GLY 61 Ca 0.08 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1ba9 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ba9 s PRO 62 N -4.41 0.43 -0.28 1.61 0.04 -1.26 -4.25 135.00 126.88 1ba9 s PRO 62 Ca 0.51 0.71 -0.38 0.00 0.04 0.00 0.00 61.00 61.88 1ba9 s PRO 62 Cb -0.09 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 1ba9 s PRO 62 CO 0.43 -2.78 1.94 0.72 0.04 0.00 0.00 177.00 177.35 1ba9 n HIS 63 N -4.24 1.91 -1.69 0.56 8.25 -1.26 -0.74 115.22 118.02 1ba9 n HIS 63 Ca 0.06 0.37 -0.45 0.00 -0.26 0.00 0.00 57.72 57.44 1ba9 n HIS 63 Cb 0.56 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 29.12 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ba9 n PHE 64 N 7.23 2.38 -3.09 4.41 -0.00 -1.08 -4.79 117.46 122.53 1ba9 n PHE 64 Ca 0.32 0.29 -0.19 0.00 -0.00 0.00 0.00 57.45 57.87 1ba9 n PHE 64 Cb 0.18 -2.54 -0.04 0.00 -0.00 0.00 0.00 39.48 37.08 1ba9 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1ba9 n ASN 65 N 2.93 -1.10 0.03 -2.13 2.85 -1.26 -3.73 115.26 112.85 1ba9 n ASN 65 Ca 0.14 -2.78 -0.10 0.00 -0.11 0.00 0.00 54.58 51.73 1ba9 n ASN 65 Cb 0.31 0.21 0.03 0.00 1.24 0.00 0.00 39.78 41.58 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ba9 h PRO 66 N 4.50 0.48 -0.01 1.20 0.13 -1.98 -2.77 132.00 133.56 1ba9 h PRO 66 Ca 0.07 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ba9 h PRO 66 Cb 0.95 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ba9 h PRO 66 CO 0.36 0.98 -0.24 1.28 -0.23 0.00 0.00 178.00 180.15 1ba9 n LEU 67 N -3.89 0.87 -3.35 1.56 4.32 -1.26 -4.98 117.00 110.28 1ba9 n LEU 67 Ca -0.04 -0.18 -0.17 0.00 -0.02 0.00 0.00 56.01 55.59 1ba9 n LEU 67 Cb 0.67 -0.15 0.07 0.00 -1.62 0.00 0.00 43.42 42.39 1ba9 n LEU 67 CO 0.48 0.17 0.03 -0.24 -1.22 0.00 0.00 177.39 176.61 1ba9 n SER 68 N -0.78 -5.42 -4.98 -1.43 2.88 -1.05 -5.04 113.62 97.81 1ba9 n SER 68 Ca 0.12 -0.73 -0.20 0.00 -1.33 0.00 0.00 58.87 56.73 1ba9 n SER 68 Cb 0.33 -4.97 0.02 0.00 -0.75 0.00 0.00 64.21 58.85 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 -4.80 2.46 0.69 -1.46 0.52 -1.26 -5.13 118.95 109.96 1ba9 s ARG 69 Ca 0.36 -1.59 -0.09 0.00 -0.52 0.00 0.00 55.73 53.89 1ba9 s ARG 69 Cb -0.06 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.90 1ba9 s ARG 69 CO 0.75 -0.57 1.03 0.15 0.02 0.00 0.00 175.30 176.68 1ba9 s LYS 70 N -4.44 2.61 0.62 3.54 1.02 -1.26 -4.83 119.74 117.00 1ba9 s LYS 70 Ca 0.53 0.13 -0.15 0.00 0.02 0.00 0.00 55.97 56.50 1ba9 s LYS 70 Cb -0.06 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1ba9 s LYS 70 CO 0.33 -1.06 1.08 -1.58 -0.92 0.00 0.00 175.35 173.20 1ba9 s HIS 71 N -3.26 2.87 0.00 3.18 5.65 0.52 -2.78 115.29 121.46 1ba9 s HIS 71 Ca 0.58 1.52 0.00 0.00 0.25 0.00 0.00 55.06 57.41 1ba9 s HIS 71 Cb -0.11 -3.05 0.00 0.00 -1.18 0.00 0.00 32.58 28.24 1ba9 s HIS 71 CO 0.48 -1.33 0.00 0.41 -0.65 0.00 0.00 174.74 173.65 1ba9 n GLY 72 N -0.89 1.65 2.98 1.59 0.00 -0.94 -4.08 105.19 105.51 1ba9 n GLY 72 Ca 0.09 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1ba9 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 73 N 0.00 3.37 0.33 -0.02 0.00 -1.26 -4.39 105.19 103.23 1ba9 n GLY 73 Ca 0.00 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 44.00 1ba9 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 h PRO 74 N 0.00 0.34 -0.19 1.61 0.13 -1.91 -1.37 132.00 130.60 1ba9 h PRO 74 Ca -0.29 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ba9 h PRO 74 Cb 1.08 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ba9 h PRO 74 CO 0.46 0.22 0.00 1.63 -0.23 0.00 0.00 178.00 180.08 1ba9 n LYS 75 N -4.47 1.75 -3.51 0.86 5.02 -1.26 -4.92 118.16 111.62 1ba9 n LYS 75 Ca 0.06 -1.14 -0.22 0.00 -2.02 0.00 0.00 58.31 54.99 1ba9 n LYS 75 Cb 0.27 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ba9 s ASP 76 N -1.50 6.22 0.13 4.39 1.01 -0.52 -5.01 116.67 121.39 1ba9 s ASP 76 Ca 0.31 0.26 -0.11 0.00 0.71 0.00 0.00 52.55 53.72 1ba9 s ASP 76 Cb 0.17 -1.85 -0.08 0.00 1.01 0.00 0.00 42.92 42.17 1ba9 s ASP 76 CO 0.25 -0.29 1.41 -0.08 0.21 0.00 0.00 175.17 176.67 1ba9 h GLU 77 N 0.84 0.89 -4.55 8.23 4.57 -1.91 -3.40 114.58 119.25 1ba9 h GLU 77 Ca -0.50 -0.55 -0.71 0.00 -1.18 0.00 0.00 59.36 56.42 1ba9 h GLU 77 Cb 1.23 0.06 -0.26 0.00 -0.16 0.00 0.00 28.75 29.62 1ba9 h GLU 77 CO 0.60 1.19 -0.51 -1.21 -1.18 0.00 0.00 179.01 177.90 1ba9 s GLU 78 N -4.15 2.71 -0.09 1.92 2.02 -1.26 -5.04 118.70 114.81 1ba9 s GLU 78 Ca -0.11 -1.23 -0.05 0.00 0.02 0.00 0.00 54.97 53.60 1ba9 s GLU 78 Cb 0.10 -3.71 0.04 0.00 0.10 0.00 0.00 34.13 30.66 1ba9 s GLU 78 CO 0.89 -0.79 0.21 -0.98 0.02 0.00 0.00 175.26 174.61 1ba9 s ARG 79 N 1.49 0.17 0.97 1.61 1.70 -1.12 -2.20 118.95 121.57 1ba9 s ARG 79 Ca 0.02 0.43 -0.14 0.00 -0.47 0.00 0.00 55.73 55.57 1ba9 s ARG 79 Cb -0.21 -0.10 0.17 0.00 -0.57 0.00 0.00 34.95 34.25 1ba9 s ARG 79 CO 0.04 -0.14 1.14 -1.01 -1.08 0.00 0.00 175.30 174.26 1ba9 s HIS 80 N 1.03 2.06 0.20 5.89 3.76 -1.23 -4.85 115.29 122.14 1ba9 s HIS 80 Ca -0.08 0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 55.47 1ba9 s HIS 80 Cb -0.09 -3.45 0.22 0.00 1.11 0.00 0.00 32.58 30.37 1ba9 s HIS 80 CO -0.06 -2.71 1.67 -0.24 -0.85 0.00 0.00 174.74 172.55 1ba9 h VAL 81 N -1.74 0.54 -0.83 -0.90 3.04 -1.96 -2.68 116.25 111.73 1ba9 h VAL 81 Ca -0.50 -0.03 -0.57 0.00 -1.01 0.00 0.00 66.70 64.59 1ba9 h VAL 81 Cb 1.32 0.44 -0.34 0.00 -2.01 0.00 0.00 31.29 30.71 1ba9 h VAL 81 CO 0.55 0.02 0.03 0.61 -1.01 0.00 0.00 177.57 177.76 1ba9 n GLY 82 N -1.34 5.99 3.17 3.17 0.00 -1.26 -4.76 105.19 110.15 1ba9 n GLY 82 Ca 0.07 -2.33 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.85 5.08 -1.88 1.61 9.92 -1.01 -2.21 116.55 127.20 1ba9 n ASP 83 Ca 0.52 -3.03 -0.11 0.00 -0.53 0.00 0.00 54.79 51.64 1ba9 n ASP 83 Cb 0.86 -1.55 -0.04 0.00 -0.64 0.00 0.00 41.12 39.75 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 5.04 5.76 0.00 0.64 4.77 -1.21 -3.26 117.00 128.74 1ba9 n LEU 84 Ca 0.40 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.30 1ba9 n LEU 84 Cb 0.40 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1ba9 n LEU 84 CO 0.73 1.36 0.00 0.61 -1.33 0.00 0.00 177.39 178.76 1ba9 n GLY 85 N 1.40 0.56 3.15 -0.72 0.00 -1.26 -4.50 105.19 103.81 1ba9 n GLY 85 Ca 0.26 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.39 0.33 0.49 1.61 2.20 -1.26 -1.22 114.94 115.71 1ba9 s ASN 86 Ca 0.00 -1.05 0.04 0.00 -0.94 0.00 0.00 52.86 50.91 1ba9 s ASN 86 Cb 0.00 0.28 -0.01 0.00 -2.00 0.00 0.00 41.25 39.52 1ba9 s ASN 86 CO 0.00 -0.70 0.14 0.68 -2.94 0.00 0.00 177.10 174.28 1ba9 s VAL 87 N -3.98 1.55 -0.15 3.54 -7.23 0.16 -4.88 120.40 109.42 1ba9 s VAL 87 Ca 0.16 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1ba9 s VAL 87 Cb 0.07 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.65 1ba9 s VAL 87 CO -0.04 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.67 1ba9 s THR 88 N -2.79 1.87 0.03 5.32 2.01 -1.26 -0.30 115.64 120.52 1ba9 s THR 88 Ca 0.22 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 1ba9 s THR 88 Cb 0.02 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 1ba9 s THR 88 CO 0.12 0.51 0.45 0.00 -0.69 0.00 0.00 174.62 175.01 1ba9 s ALA 89 N 1.09 3.67 1.08 7.40 0.00 0.19 -4.18 121.76 131.01 1ba9 s ALA 89 Ca -0.02 -0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 1ba9 s ALA 89 Cb -0.14 -2.44 0.23 0.00 0.00 0.00 0.00 23.12 20.77 1ba9 s ALA 89 CO -0.06 0.47 1.07 -0.51 0.00 0.00 0.00 175.76 176.72 1ba9 s ASP 90 N -1.14 1.83 0.65 0.00 1.01 0.51 -1.35 116.67 118.16 1ba9 s ASP 90 Ca 0.26 1.21 0.33 0.00 0.71 0.00 0.00 52.55 55.06 1ba9 s ASP 90 Cb -0.17 -1.88 1.82 0.00 1.01 0.00 0.00 42.92 43.70 1ba9 s ASP 90 CO 0.15 -3.63 2.02 0.07 0.21 0.00 0.00 175.17 173.99 1ba9 h LYS 91 N -2.23 0.00 -0.13 8.23 2.10 -1.94 0.12 116.57 122.72 1ba9 h LYS 91 Ca -0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 1ba9 h LYS 91 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1ba9 h LYS 91 CO 0.54 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.52 1ba9 n ASP 92 N -2.90 2.93 -0.34 7.07 -0.08 -1.26 -4.83 116.55 117.14 1ba9 n ASP 92 Ca -0.02 -1.94 -0.02 0.00 -1.51 0.00 0.00 54.79 51.29 1ba9 n ASP 92 Cb 0.28 -0.07 -0.00 0.00 2.34 0.00 0.00 41.12 43.67 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ba9 n GLY 93 N 1.37 0.33 3.29 0.27 0.00 0.43 -4.65 105.19 106.22 1ba9 n GLY 93 Ca 0.16 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.22 3.09 -0.37 1.61 1.01 -1.26 -0.83 120.40 121.44 1ba9 s VAL 94 Ca 0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1ba9 s VAL 94 Cb -0.00 -2.37 0.08 0.00 0.00 0.00 0.00 36.38 34.08 1ba9 s VAL 94 CO 0.01 0.46 0.14 0.00 0.00 0.00 0.00 175.10 175.72 1ba9 s ALA 95 N 1.22 3.07 -0.48 5.51 0.00 -1.25 -0.37 121.76 129.47 1ba9 s ALA 95 Ca 0.02 -2.12 -0.26 0.00 0.00 0.00 0.00 51.96 49.60 1ba9 s ALA 95 Cb -0.14 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.70 1ba9 s ALA 95 CO -0.03 -1.55 1.00 -0.51 0.00 0.00 0.00 175.76 174.67 1ba9 s ASP 96 N 1.66 6.51 0.27 0.00 1.11 -1.26 -1.57 116.67 123.39 1ba9 s ASP 96 Ca 0.02 0.16 -0.14 0.00 0.18 0.00 0.00 52.55 52.76 1ba9 s ASP 96 Cb -0.21 -2.48 -0.08 0.00 1.07 0.00 0.00 42.92 41.21 1ba9 s ASP 96 CO -0.01 -1.15 0.67 -0.69 1.18 0.00 0.00 175.17 175.17 1ba9 s VAL 97 N 4.03 4.74 -0.32 -1.27 1.01 0.32 -4.85 120.40 124.06 1ba9 s VAL 97 Ca 0.40 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 1ba9 s VAL 97 Cb -0.09 -3.65 0.19 0.00 0.00 0.00 0.00 36.38 32.82 1ba9 s VAL 97 CO 0.27 -0.07 0.86 -0.44 0.00 0.00 0.00 175.10 175.72 1ba9 s SER 98 N -2.16 -0.89 0.17 3.32 0.01 -1.26 -1.29 113.70 111.60 1ba9 s SER 98 Ca 0.50 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.63 1ba9 s SER 98 Cb -0.12 1.37 -0.00 0.00 0.21 0.00 0.00 66.02 67.48 1ba9 s SER 98 CO 0.19 -0.14 0.21 0.00 0.41 0.00 0.00 173.24 173.92 1ba9 n ILE 99 N 4.70 0.00 -3.74 1.44 3.06 0.38 -4.99 119.36 120.21 1ba9 n ILE 99 Ca 0.08 -0.98 -0.14 0.00 -2.50 0.00 0.00 62.75 59.21 1ba9 n ILE 99 Cb 0.58 0.56 -0.09 0.00 0.54 0.00 0.00 39.64 41.24 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 -2.48 0.68 0.10 9.51 -1.05 -1.26 -0.88 118.70 123.32 1ba9 s GLU 100 Ca 0.16 -0.08 -0.09 0.00 -0.15 0.00 0.00 54.97 54.80 1ba9 s GLU 100 Cb -0.00 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1ba9 s GLU 100 CO 0.11 -0.18 0.22 0.34 0.95 0.00 0.00 175.26 176.70 1ba9 s ASP 101 N -1.16 0.07 0.00 0.83 -1.08 -0.87 -4.96 116.67 109.50 1ba9 s ASP 101 Ca -0.12 -0.64 0.00 0.00 -0.52 0.00 0.00 52.55 51.27 1ba9 s ASP 101 Cb -0.05 0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 1ba9 s ASP 101 CO 0.04 -0.76 0.59 -1.20 0.52 0.00 0.00 175.17 174.36 1ba9 n SER 102 N -0.10 0.95 -0.02 -0.34 7.64 -1.26 -0.08 113.62 120.41 1ba9 n SER 102 Ca -0.14 -1.34 -0.17 0.00 1.01 0.00 0.00 58.87 58.23 1ba9 n SER 102 Cb 0.63 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.69 1ba9 n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ba9 h VAL 103 N 0.85 1.65 -1.74 0.44 2.07 -1.91 -3.47 116.25 114.13 1ba9 h VAL 103 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1ba9 h VAL 103 Cb 0.48 3.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1ba9 h VAL 103 CO 0.00 0.64 0.00 2.30 0.02 0.00 0.00 177.57 180.53 1ba9 n ILE 104 N -4.40 0.00 -0.02 4.57 -0.00 -1.26 -4.90 119.36 113.35 1ba9 n ILE 104 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 1ba9 n ILE 104 Cb 0.62 -1.62 0.00 0.00 -0.00 0.00 0.00 39.64 38.64 1ba9 n ILE 104 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1ba9 n SER 105 N -2.80 0.00 0.00 7.28 7.64 0.74 -4.87 113.62 121.61 1ba9 n SER 105 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ba9 n SER 105 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ba9 n SER 105 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ba9 n LEU 106 N 0.00 0.37 0.00 -3.43 0.00 -0.63 -4.43 117.00 108.89 1ba9 n LEU 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ba9 n LEU 106 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 43.42 42.72 1ba9 n LEU 106 CO 0.00 -0.19 0.00 -1.54 0.00 0.00 0.00 177.39 175.66 1ba9 n SER 107 N 0.00 0.00 0.00 1.96 3.41 -1.26 0.77 113.62 118.50 1ba9 n SER 107 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ba9 n SER 107 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 -0.05 0.32 5.00 0.00 -1.26 -4.74 105.19 104.47 1ba9 n GLY 108 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 1ba9 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ba9 h ASP 109 N 0.00 -1.02 -1.13 1.61 5.19 -1.95 0.17 116.42 119.28 1ba9 h ASP 109 Ca 0.00 0.21 -0.56 0.00 -0.62 0.00 0.00 57.03 56.06 1ba9 h ASP 109 Cb 0.00 0.52 -0.21 0.00 0.18 0.00 0.00 39.33 39.81 1ba9 h ASP 109 CO 0.00 -0.29 0.66 1.41 -3.12 0.00 0.00 179.24 177.89 1ba9 n HIS 110 N -5.43 2.25 -1.37 4.55 8.25 -1.26 -4.92 115.22 117.29 1ba9 n HIS 110 Ca 0.04 -2.27 -0.54 0.00 -0.26 0.00 0.00 57.72 54.69 1ba9 n HIS 110 Cb 0.34 -1.26 -0.09 0.00 1.12 0.00 0.00 29.99 30.10 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 0.05 1.46 -0.01 0.41 2.88 0.58 -0.19 113.62 118.81 1ba9 n SER 111 Ca 0.49 0.49 0.14 0.00 -1.33 0.00 0.00 58.87 58.65 1ba9 n SER 111 Cb 0.51 -1.10 0.55 0.00 -0.75 0.00 0.00 64.21 63.42 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 6.95 0.00 -1.68 2.46 -5.35 -1.26 -4.77 119.36 115.71 1ba9 n ILE 112 Ca 0.48 -0.00 -0.46 0.00 -0.27 0.00 0.00 62.75 62.50 1ba9 n ILE 112 Cb 0.11 -0.33 -0.04 0.00 -1.74 0.00 0.00 39.64 37.64 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 -1.46 0.55 0.00 7.28 2.08 -1.26 -0.96 119.36 125.58 1ba9 n ILE 113 Ca 0.07 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1ba9 n ILE 113 Cb 0.33 -1.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.24 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 4.33 2.36 3.83 7.39 0.00 0.22 -5.01 105.19 118.31 1ba9 n GLY 114 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.70 0.60 -0.37 1.61 1.81 -0.14 -4.19 118.95 117.57 1ba9 s ARG 115 Ca 0.00 -0.10 0.03 0.00 -1.72 0.00 0.00 55.73 53.94 1ba9 s ARG 115 Cb 0.00 -1.81 0.10 0.00 -0.45 0.00 0.00 34.95 32.79 1ba9 s ARG 115 CO 0.00 -2.49 0.10 0.99 -0.68 0.00 0.00 175.30 173.21 1ba9 s THR 116 N -3.53 2.48 -0.23 0.02 2.01 -1.14 -0.36 115.64 114.89 1ba9 s THR 116 Ca 0.69 -2.40 -0.19 0.00 0.31 0.00 0.00 61.69 60.11 1ba9 s THR 116 Cb -0.09 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1ba9 s THR 116 CO 0.53 -0.63 0.54 -0.22 -0.69 0.00 0.00 174.62 174.15 1ba9 s LEU 117 N 0.82 4.10 0.01 4.42 2.96 -0.36 -0.01 118.68 130.62 1ba9 s LEU 117 Ca 0.11 0.64 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1ba9 s LEU 117 Cb -0.20 -2.73 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 1ba9 s LEU 117 CO -0.07 -0.25 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.93 1ba9 s VAL 118 N 1.98 0.80 0.07 1.68 1.01 -0.82 -1.84 120.40 123.28 1ba9 s VAL 118 Ca 0.24 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1ba9 s VAL 118 Cb -0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1ba9 s VAL 118 CO 0.09 0.11 0.09 0.54 0.00 0.00 0.00 175.10 175.93 1ba9 s VAL 119 N -0.46 4.60 0.16 2.92 0.11 -0.65 -2.30 120.40 124.78 1ba9 s VAL 119 Ca 0.02 -0.70 0.08 0.00 -2.93 0.00 0.00 61.98 58.45 1ba9 s VAL 119 Cb -0.05 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.56 1ba9 s VAL 119 CO 0.00 0.15 -0.08 -1.00 -3.33 0.00 0.00 175.10 170.85 1ba9 s HIS 120 N -1.37 2.71 0.08 1.54 3.76 0.36 -2.72 115.29 119.65 1ba9 s HIS 120 Ca 0.29 -0.18 -0.35 0.00 -0.15 0.00 0.00 55.06 54.66 1ba9 s HIS 120 Cb -0.12 -1.35 -0.18 0.00 1.11 0.00 0.00 32.58 32.04 1ba9 s HIS 120 CO 0.21 0.49 1.59 1.49 -0.85 0.00 0.00 174.74 177.67 1ba9 h GLU 121 N 3.07 -1.01 -6.94 1.40 4.81 -0.76 -3.30 114.58 111.84 1ba9 h GLU 121 Ca -0.47 0.07 -0.45 0.00 -0.13 0.00 0.00 59.36 58.37 1ba9 h GLU 121 Cb 1.19 0.23 0.06 0.00 0.63 0.00 0.00 28.75 30.86 1ba9 h GLU 121 CO 0.54 -0.67 0.02 0.15 -0.73 0.00 0.00 179.01 178.32 1ba9 s LYS 122 N -5.97 2.20 0.37 1.92 1.02 0.82 -4.56 119.74 115.54 1ba9 s LYS 122 Ca -0.18 -0.93 -0.27 0.00 0.02 0.00 0.00 55.97 54.61 1ba9 s LYS 122 Cb 0.04 -2.43 -0.10 0.00 -0.52 0.00 0.00 37.83 34.82 1ba9 s LYS 122 CO 0.61 -1.01 1.32 0.00 -0.92 0.00 0.00 175.35 175.35 1ba9 s ALA 123 N -2.91 3.40 0.17 5.17 0.00 -0.74 -1.07 121.76 125.78 1ba9 s ALA 123 Ca 0.61 1.28 -0.32 0.00 0.00 0.00 0.00 51.96 53.53 1ba9 s ALA 123 Cb -0.08 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 1ba9 s ALA 123 CO 0.41 -0.76 1.76 0.34 0.00 0.00 0.00 175.76 177.51 1ba9 s ASP 124 N -0.57 6.41 0.00 0.00 -1.08 -1.26 -4.13 116.67 116.04 1ba9 s ASP 124 Ca 0.53 2.81 0.00 0.00 -0.52 0.00 0.00 52.55 55.37 1ba9 s ASP 124 Cb -0.40 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.48 1ba9 s ASP 124 CO 0.52 -0.98 0.75 -0.67 0.52 0.00 0.00 175.17 175.31 1ba9 n ASP 125 N 4.69 0.45 -3.88 -0.34 2.03 0.53 -4.85 116.55 115.17 1ba9 n ASP 125 Ca 0.17 -1.95 -0.31 0.00 0.52 0.00 0.00 54.79 53.22 1ba9 n ASP 125 Cb 0.37 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.26 -2.03 -4.06 -2.67 7.99 -1.26 -2.11 117.00 112.60 1ba9 n LEU 126 Ca 0.00 -0.76 -0.36 0.00 -0.01 0.00 0.00 56.01 54.88 1ba9 n LEU 126 Cb 0.11 -2.30 -0.07 0.00 -0.11 0.00 0.00 43.42 41.05 1ba9 n LEU 126 CO 0.00 0.33 -0.14 0.61 -1.51 0.00 0.00 177.39 176.69 1ba9 n GLY 127 N -1.46 -0.34 0.49 -0.72 0.00 -1.26 -4.53 105.19 97.37 1ba9 n GLY 127 Ca 0.04 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ba9 n LYS 128 N -3.49 1.88 0.00 1.61 2.85 -0.90 -4.41 118.16 115.69 1ba9 n LYS 128 Ca 0.10 -1.62 0.05 0.00 -1.05 0.00 0.00 58.31 55.80 1ba9 n LYS 128 Cb 0.38 -1.21 0.30 0.00 -0.65 0.00 0.00 35.03 33.85 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ba9 n GLY 129 N 0.44 -0.49 2.70 2.58 0.00 -1.26 -4.84 105.19 104.32 1ba9 n GLY 129 Ca 0.08 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.34 -0.40 3.27 -0.02 0.00 -1.26 -4.97 105.19 101.47 1ba9 n GLY 130 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.54 -0.47 0.02 1.61 2.47 -1.26 -5.04 114.94 109.72 1ba9 s ASN 131 Ca 0.18 0.85 -0.04 0.00 0.42 0.00 0.00 52.86 54.27 1ba9 s ASN 131 Cb -0.08 0.77 -0.01 0.00 -1.45 0.00 0.00 41.25 40.48 1ba9 s ASN 131 CO 0.22 -0.18 0.64 -0.62 -3.72 0.00 0.00 177.10 173.45 1ba9 n GLU 132 N 3.82 -0.06 -0.10 0.43 4.71 -1.26 -0.21 120.64 127.98 1ba9 n GLU 132 Ca -0.20 0.64 -0.04 0.00 -0.01 0.00 0.00 57.16 57.55 1ba9 n GLU 132 Cb 0.56 -0.95 -0.03 0.00 -1.01 0.00 0.00 31.44 30.01 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 -0.04 -0.73 3.49 -0.00 -1.98 0.52 115.11 116.37 1ba9 h GLN 133 Ca 0.02 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.77 1ba9 h GLN 133 Cb 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 27.48 27.43 1ba9 h GLN 133 CO -0.13 -0.03 -0.49 0.77 0.00 0.00 0.00 178.83 178.95 1ba9 h SER 134 N -0.04 -1.73 0.00 -0.69 0.02 -1.77 0.66 113.55 109.99 1ba9 h SER 134 Ca 0.04 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1ba9 h SER 134 Cb 0.14 0.78 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1ba9 h SER 134 CO -0.24 -0.31 0.00 0.35 -1.14 0.00 0.00 176.83 175.49 1ba9 n THR 135 N -5.37 0.00 -0.04 -2.27 -2.24 0.71 0.35 114.28 105.42 1ba9 n THR 135 Ca 0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 1ba9 n THR 135 Cb 0.33 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.98 2.18 0.00 -0.78 4.81 0.16 -0.36 118.16 123.19 1ba9 n LYS 136 Ca 0.14 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1ba9 n LYS 136 Cb 0.07 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.39 0.00 -0.17 3.15 -2.24 0.22 -4.69 114.28 108.16 1ba9 n THR 137 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ba9 n THR 137 Cb 0.72 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 2.24 0.90 2.38 3.38 0.00 0.16 -4.38 105.19 109.86 1ba9 n GLY 138 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 0.14 -4.77 0.00 1.61 5.15 -1.26 -0.35 115.26 115.79 1ba9 n ASN 139 Ca 0.00 0.19 0.15 0.00 -0.60 0.00 0.00 54.58 54.32 1ba9 n ASN 139 Cb 0.00 -4.09 0.85 0.00 -0.53 0.00 0.00 39.78 36.01 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 -1.16 2.57 -0.34 5.20 0.00 -1.26 -4.85 120.51 120.67 1ba9 n ALA 140 Ca -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ba9 n ALA 140 Cb 0.62 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.84 -1.48 3.70 0.00 0.00 -1.26 -0.12 105.19 106.87 1ba9 n GLY 141 Ca 0.21 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 s SER 142 N -4.00 3.56 -0.63 1.61 0.01 -1.26 -4.50 113.70 108.49 1ba9 s SER 142 Ca 0.00 2.30 -0.20 0.00 1.31 0.00 0.00 55.95 59.36 1ba9 s SER 142 Cb 0.00 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.74 1ba9 s SER 142 CO 0.00 -2.68 0.81 -0.13 0.41 0.00 0.00 173.24 171.65 1ba9 s ARG 143 N -4.26 3.09 0.15 12.44 0.52 -1.26 -0.66 118.95 128.97 1ba9 s ARG 143 Ca 0.71 -1.17 -0.20 0.00 -0.52 0.00 0.00 55.73 54.55 1ba9 s ARG 143 Cb -0.27 -4.28 0.04 0.00 0.52 0.00 0.00 34.95 30.96 1ba9 s ARG 143 CO 0.52 -1.65 1.66 -0.07 0.02 0.00 0.00 175.30 175.78 1ba9 h LEU 144 N 10.48 -0.47 -8.37 2.53 -0.00 -1.80 -3.43 115.31 114.24 1ba9 h LEU 144 Ca -0.27 0.11 -0.25 0.00 -0.00 0.00 0.00 57.88 57.47 1ba9 h LEU 144 Cb 1.08 0.25 -0.17 0.00 -0.00 0.00 0.00 40.66 41.82 1ba9 h LEU 144 CO 1.13 -0.18 -0.71 0.00 -0.00 0.00 0.00 178.44 178.68 1ba9 s ALA 145 N -6.17 0.90 0.25 1.53 0.00 -1.25 -4.03 121.76 112.99 1ba9 s ALA 145 Ca -0.14 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1ba9 s ALA 145 Cb 0.12 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1ba9 s ALA 145 CO 0.69 -0.15 0.06 0.00 0.00 0.00 0.00 175.76 176.36 1ba9 s GLY 147 N -3.33 -0.46 0.00 0.00 0.00 -0.76 -0.48 107.32 102.29 1ba9 s GLY 147 Ca 0.34 0.84 0.06 0.00 0.00 0.00 0.00 44.72 45.97 1ba9 s GLY 147 CO 0.12 1.19 -0.20 0.54 0.00 0.00 0.00 173.10 174.75 1ba9 s VAL 148 N -2.02 1.56 -0.15 1.40 0.11 -1.26 -1.23 120.40 118.81 1ba9 s VAL 148 Ca 0.18 -0.95 -0.19 0.00 -2.93 0.00 0.00 61.98 58.09 1ba9 s VAL 148 Cb 0.07 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 1ba9 s VAL 148 CO -0.06 0.35 0.55 -0.63 -3.33 0.00 0.00 175.10 171.98 1ba9 s ILE 149 N -0.57 5.11 0.17 7.04 1.01 0.51 -3.92 121.20 130.56 1ba9 s ILE 149 Ca 0.07 1.06 0.01 0.00 0.00 0.00 0.00 60.65 61.80 1ba9 s ILE 149 Cb -0.08 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 1ba9 s ILE 149 CO 0.00 0.23 0.19 0.61 0.00 0.00 0.00 174.94 175.97 1ba9 n GLY 150 N 3.55 3.05 3.76 6.18 0.00 0.25 -0.61 105.19 121.37 1ba9 n GLY 150 Ca -0.04 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1ba9 n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ba9 s ILE 151 N -2.65 3.53 -0.30 -0.61 1.01 -1.26 -0.53 121.20 120.39 1ba9 s ILE 151 Ca 0.17 1.55 -0.29 0.00 0.00 0.00 0.00 60.65 62.08 1ba9 s ILE 151 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1ba9 s ILE 151 CO 0.12 0.37 1.58 0.00 0.00 0.00 0.00 174.94 177.01 1ba9 s ALA 152 N -1.17 3.13 0.00 9.38 0.00 -0.01 -4.48 121.76 128.62 1ba9 s ALA 152 Ca 0.44 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1ba9 s ALA 152 Cb -0.31 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1ba9 s ALA 152 CO 0.40 -2.20 0.00 0.94 0.00 0.00 0.00 175.76 174.90