#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 -4.54 0.00 -2.24 -0.26 -4.42 114.28 102.82 1ba9 n THR 2 Ca 0.00 -1.58 -0.34 0.00 -2.27 0.00 0.00 64.05 59.86 1ba9 n THR 2 Cb 0.00 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1ba9 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ba9 s LYS 3 N -3.07 2.96 0.41 -0.78 1.02 -1.26 -0.17 119.74 118.85 1ba9 s LYS 3 Ca 0.11 -0.52 0.08 0.00 0.02 0.00 0.00 55.97 55.66 1ba9 s LYS 3 Cb 0.01 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1ba9 s LYS 3 CO 0.08 0.60 0.44 0.00 -0.92 0.00 0.00 175.35 175.54 1ba9 s ALA 4 N -0.61 4.21 0.07 5.17 0.00 0.62 -0.89 121.76 130.32 1ba9 s ALA 4 Ca 0.09 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.31 1ba9 s ALA 4 Cb -0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1ba9 s ALA 4 CO 0.02 -0.22 -0.14 0.54 0.00 0.00 0.00 175.76 175.95 1ba9 s VAL 5 N -2.42 1.14 -0.13 0.00 0.11 0.88 -0.65 120.40 119.33 1ba9 s VAL 5 Ca 0.50 -1.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 1ba9 s VAL 5 Cb -0.06 -1.09 0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1ba9 s VAL 5 CO 0.30 -0.19 0.05 0.00 -3.33 0.00 0.00 175.10 171.93 1ba9 s ALA 6 N -1.21 0.58 -0.89 1.54 0.00 0.35 -1.18 121.76 120.95 1ba9 s ALA 6 Ca -0.01 -0.25 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 1ba9 s ALA 6 Cb -0.10 -0.92 0.10 0.00 0.00 0.00 0.00 23.12 22.21 1ba9 s ALA 6 CO 0.02 -0.88 1.15 0.14 0.00 0.00 0.00 175.76 176.19 1ba9 s VAL 7 N 2.04 4.51 0.14 0.00 -7.23 -1.25 -0.62 120.40 118.00 1ba9 s VAL 7 Ca 0.03 -1.19 -0.32 0.00 -1.81 0.00 0.00 61.98 58.69 1ba9 s VAL 7 Cb -0.15 -4.81 -0.12 0.00 0.56 0.00 0.00 36.38 31.87 1ba9 s VAL 7 CO -0.07 -1.57 1.78 0.18 -0.31 0.00 0.00 175.10 175.11 1ba9 n LEU 8 N 7.18 3.89 -3.41 1.32 4.32 0.15 -4.27 117.00 126.18 1ba9 n LEU 8 Ca 0.20 1.02 0.01 0.00 -0.02 0.00 0.00 56.01 57.22 1ba9 n LEU 8 Cb 0.49 -1.53 -0.04 0.00 -1.62 0.00 0.00 43.42 40.72 1ba9 n LEU 8 CO 0.56 0.11 0.58 -0.75 -1.22 0.00 0.00 177.39 176.67 1ba9 s LYS 9 N 2.12 0.31 0.00 3.23 2.36 -0.00 -0.35 119.74 127.41 1ba9 s LYS 9 Ca 0.80 0.78 0.00 0.00 -2.55 0.00 0.00 55.97 55.00 1ba9 s LYS 9 Cb -0.52 0.47 0.00 0.00 -1.05 0.00 0.00 37.83 36.73 1ba9 s LYS 9 CO 0.37 -0.11 0.65 0.41 1.55 0.00 0.00 175.35 178.22 1ba9 n GLY 10 N 5.02 0.41 1.10 5.54 0.00 -1.25 -3.88 105.19 112.14 1ba9 n GLY 10 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ba9 n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 11 N 0.00 0.00 0.00 1.61 2.03 -0.87 -4.54 116.55 114.78 1ba9 n ASP 11 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1ba9 n ASP 11 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1ba9 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ba9 n GLY 12 N 2.04 1.49 0.30 0.27 0.00 -1.26 -4.98 105.19 103.05 1ba9 n GLY 12 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 1.24 -2.82 1.61 -0.04 -1.26 -4.73 135.00 128.99 1ba9 n PRO 13 Ca 0.00 -0.27 -0.42 0.00 -0.04 0.00 0.00 63.50 62.77 1ba9 n PRO 13 Cb 0.00 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1ba9 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ba9 s VAL 14 N -1.66 4.82 -0.02 0.52 1.01 -1.26 -4.58 120.40 119.23 1ba9 s VAL 14 Ca 0.05 1.75 -0.07 0.00 0.00 0.00 0.00 61.98 63.70 1ba9 s VAL 14 Cb 0.03 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1ba9 s VAL 14 CO 0.03 -0.03 0.17 0.00 0.00 0.00 0.00 175.10 175.26 1ba9 s GLN 15 N 2.45 0.40 -0.03 2.72 0.00 -0.46 -4.30 119.66 120.43 1ba9 s GLN 15 Ca 0.40 -0.16 -0.01 0.00 -0.00 0.00 0.00 55.36 55.59 1ba9 s GLN 15 Cb -0.16 0.17 0.03 0.00 0.00 0.00 0.00 33.01 33.05 1ba9 s GLN 15 CO 0.11 -0.09 0.06 0.20 0.00 0.00 0.00 175.29 175.57 1ba9 s GLY 16 N -0.87 0.08 -0.52 2.60 0.00 0.53 0.31 107.32 109.45 1ba9 s GLY 16 Ca -0.10 0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.81 1ba9 s GLY 16 CO 0.01 0.83 0.66 -0.42 0.00 0.00 0.00 173.10 174.18 1ba9 s ILE 17 N 1.20 4.83 0.39 0.90 1.01 -1.22 0.34 121.20 128.66 1ba9 s ILE 17 Ca -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1ba9 s ILE 17 Cb -0.13 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1ba9 s ILE 17 CO -0.04 -0.88 0.64 -0.63 0.00 0.00 0.00 174.94 174.04 1ba9 s ILE 18 N 2.74 5.02 0.01 2.92 -1.09 0.21 -3.00 121.20 128.00 1ba9 s ILE 18 Ca 0.16 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 1ba9 s ILE 18 Cb -0.19 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1ba9 s ILE 18 CO 0.12 -0.65 -0.01 0.20 -1.23 0.00 0.00 174.94 173.37 1ba9 s ASN 19 N -3.97 0.09 -0.33 3.58 -0.87 0.13 -0.50 114.94 113.08 1ba9 s ASN 19 Ca 0.43 -0.17 0.01 0.00 -1.57 0.00 0.00 52.86 51.56 1ba9 s ASN 19 Cb -0.10 0.03 0.10 0.00 -0.02 0.00 0.00 41.25 41.26 1ba9 s ASN 19 CO 0.39 -0.10 0.08 -0.36 -2.57 0.00 0.00 177.10 174.54 1ba9 s PHE 20 N -0.50 2.53 0.11 2.20 0.40 0.17 -0.85 117.98 122.06 1ba9 s PHE 20 Ca -0.05 -2.26 -0.30 0.00 -0.60 0.00 0.00 56.93 53.71 1ba9 s PHE 20 Cb -0.03 -2.20 -0.07 0.00 0.51 0.00 0.00 43.02 41.22 1ba9 s PHE 20 CO -0.00 -0.90 1.23 -1.21 0.70 0.00 0.00 175.22 175.04 1ba9 s GLU 21 N 1.29 4.43 -0.45 0.44 2.02 0.86 -0.28 118.70 127.02 1ba9 s GLU 21 Ca 0.11 1.86 0.07 0.00 0.02 0.00 0.00 54.97 57.02 1ba9 s GLU 21 Cb -0.18 -3.29 0.23 0.00 0.10 0.00 0.00 34.13 30.98 1ba9 s GLU 21 CO -0.18 -0.23 0.51 0.94 0.02 0.00 0.00 175.26 176.32 1ba9 n GLN 22 N 3.44 0.89 -0.88 1.61 0.00 0.76 -0.86 117.38 122.35 1ba9 n GLN 22 Ca 0.08 -3.48 -0.15 0.00 -0.00 0.00 0.00 57.00 53.45 1ba9 n GLN 22 Cb 0.45 -1.53 0.15 0.00 0.00 0.00 0.00 30.24 29.31 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1ba9 n LYS 23 N 1.72 2.11 0.00 3.69 4.81 -1.26 -1.10 118.16 128.12 1ba9 n LYS 23 Ca 0.24 -2.22 0.00 0.00 -0.87 0.00 0.00 58.31 55.47 1ba9 n LYS 23 Cb 0.49 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.66 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 -0.60 2.66 0.00 1.64 4.71 -1.26 -4.94 120.64 122.85 1ba9 n GLU 24 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.57 1ba9 n GLU 24 Cb 1.32 -0.68 0.00 0.00 -1.01 0.00 0.00 31.44 31.08 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 -0.78 0.00 -1.89 1.62 2.88 -1.26 -3.97 113.62 110.23 1ba9 n SER 25 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1ba9 n SER 25 Cb 0.09 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.61 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 2.94 3.62 -4.11 -3.46 6.94 -1.26 -4.89 115.26 115.04 1ba9 n ASN 26 Ca 0.00 -3.40 -0.26 0.00 -0.02 0.00 0.00 54.58 50.90 1ba9 n ASN 26 Cb 0.00 -0.39 -0.08 0.00 -2.36 0.00 0.00 39.78 36.95 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ba9 s GLY 27 N -3.50 2.65 0.48 4.83 0.00 -1.25 -5.13 107.32 105.39 1ba9 s GLY 27 Ca 0.44 -1.19 -0.23 0.00 0.00 0.00 0.00 44.72 43.73 1ba9 s GLY 27 CO -0.00 -1.84 1.28 2.56 0.00 0.00 0.00 173.10 175.10 1ba9 s PRO 28 N -3.70 3.58 0.41 2.90 0.04 -1.26 -4.87 135.00 132.09 1ba9 s PRO 28 Ca 0.23 2.07 -0.23 0.00 0.04 0.00 0.00 61.00 63.11 1ba9 s PRO 28 Cb 0.02 -2.45 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 1ba9 s PRO 28 CO 0.14 -0.79 0.99 0.08 0.04 0.00 0.00 177.00 177.47 1ba9 s VAL 29 N -1.37 4.05 -0.31 -0.36 1.01 0.41 -4.77 120.40 119.06 1ba9 s VAL 29 Ca 0.65 1.45 -0.04 0.00 0.00 0.00 0.00 61.98 64.04 1ba9 s VAL 29 Cb -0.36 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1ba9 s VAL 29 CO 0.44 -0.11 0.05 -0.54 0.00 0.00 0.00 175.10 174.94 1ba9 s LYS 30 N -2.74 2.61 0.17 2.72 -0.14 -0.04 -1.46 119.74 120.86 1ba9 s LYS 30 Ca 0.59 -1.17 -0.09 0.00 -1.36 0.00 0.00 55.97 53.95 1ba9 s LYS 30 Cb -0.16 -3.31 -0.06 0.00 -1.68 0.00 0.00 37.83 32.61 1ba9 s LYS 30 CO 0.21 -0.61 0.47 0.14 -0.76 0.00 0.00 175.35 174.80 1ba9 s VAL 31 N 1.35 5.02 0.14 3.17 -7.23 0.10 -0.10 120.40 122.85 1ba9 s VAL 31 Ca -0.02 0.38 -0.24 0.00 -1.81 0.00 0.00 61.98 60.28 1ba9 s VAL 31 Cb -0.19 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.18 1ba9 s VAL 31 CO 0.01 0.06 0.72 -1.66 -0.31 0.00 0.00 175.10 173.92 1ba9 s TRP 32 N -1.66 -0.39 -0.34 2.82 -2.14 -0.03 -0.74 118.94 116.46 1ba9 s TRP 32 Ca 0.42 0.15 0.00 0.00 2.66 0.00 0.00 56.10 59.33 1ba9 s TRP 32 Cb -0.12 0.59 0.00 0.00 -3.10 0.00 0.00 33.47 30.84 1ba9 s TRP 32 CO 0.21 -0.85 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1ba9 n GLY 33 N -0.37 -1.24 3.15 3.67 0.00 0.18 0.19 105.19 110.77 1ba9 n GLY 33 Ca -0.12 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.49 -1.13 0.94 1.61 1.04 -1.16 -0.41 113.70 111.10 1ba9 s SER 34 Ca 0.00 0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.74 1ba9 s SER 34 Cb 0.00 1.83 0.16 0.00 0.10 0.00 0.00 66.02 68.11 1ba9 s SER 34 CO 0.00 -0.21 1.11 -0.51 0.98 0.00 0.00 173.24 174.61 1ba9 s ILE 35 N 2.88 2.14 -0.29 -1.02 1.10 -0.50 -3.39 121.20 122.13 1ba9 s ILE 35 Ca 0.14 0.05 0.01 0.00 -0.51 0.00 0.00 60.65 60.34 1ba9 s ILE 35 Cb -0.11 -2.66 0.15 0.00 0.15 0.00 0.00 42.46 39.99 1ba9 s ILE 35 CO -0.21 -0.06 0.35 -0.75 -2.11 0.00 0.00 174.94 172.16 1ba9 s LYS 36 N -5.11 0.36 0.00 3.50 2.20 0.15 -4.08 119.74 116.76 1ba9 s LYS 36 Ca 0.64 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1ba9 s LYS 36 Cb -0.17 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 1ba9 s LYS 36 CO 0.55 -1.03 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 1ba9 n GLY 37 N 5.33 0.14 3.55 5.54 0.00 -0.31 -1.36 105.19 118.08 1ba9 n GLY 37 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 0.65 0.17 0.99 2.01 -0.99 -4.81 118.68 116.70 1ba9 s LEU 38 Ca 0.00 0.95 0.01 0.00 0.01 0.00 0.00 54.13 55.10 1ba9 s LEU 38 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 46.19 43.38 1ba9 s LEU 38 CO 0.00 -4.08 0.32 0.28 1.01 0.00 0.00 176.35 173.88 1ba9 s THR 39 N -2.79 5.28 0.90 5.49 -1.32 -1.26 -4.01 115.64 117.93 1ba9 s THR 39 Ca 0.69 -0.57 -0.14 0.00 -1.21 0.00 0.00 61.69 60.46 1ba9 s THR 39 Cb -0.15 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.10 1ba9 s THR 39 CO 0.58 -0.12 0.35 -1.84 -2.21 0.00 0.00 174.62 171.38 1ba9 n GLU 40 N -0.57 -0.13 0.00 7.08 0.00 -1.24 -4.64 120.64 121.14 1ba9 n GLU 40 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 1ba9 n GLU 40 Cb 0.54 -1.79 0.00 0.00 0.00 0.00 0.00 31.44 30.19 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 1.68 -2.34 3.75 -1.84 0.00 -0.68 -4.81 105.19 100.95 1ba9 n GLY 41 Ca 0.07 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 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 4.58 -0.12 0.99 1.02 -1.26 -0.66 118.68 123.23 1ba9 s LEU 42 Ca 0.00 1.77 -0.01 0.00 0.02 0.00 0.00 54.13 55.92 1ba9 s LEU 42 Cb 0.00 -3.47 0.03 0.00 0.02 0.00 0.00 46.19 42.77 1ba9 s LEU 42 CO 0.00 0.12 -0.06 -1.00 0.02 0.00 0.00 176.35 175.43 1ba9 s HIS 43 N -0.83 1.40 0.04 0.29 3.76 0.67 -1.20 115.29 119.41 1ba9 s HIS 43 Ca 0.40 -0.72 -0.30 0.00 -0.15 0.00 0.00 55.06 54.29 1ba9 s HIS 43 Cb -0.24 -1.18 -0.09 0.00 1.11 0.00 0.00 32.58 32.18 1ba9 s HIS 43 CO 0.29 -0.51 1.87 0.20 -0.85 0.00 0.00 174.74 175.74 1ba9 s GLY 44 N 1.74 1.45 -0.24 -2.22 0.00 -0.41 -0.57 107.32 107.08 1ba9 s GLY 44 Ca 0.04 1.28 0.01 0.00 0.00 0.00 0.00 44.72 46.04 1ba9 s GLY 44 CO -0.08 3.29 -0.11 -0.12 0.00 0.00 0.00 173.10 176.09 1ba9 s PHE 45 N 3.93 3.07 0.15 1.90 5.36 0.40 -2.54 117.98 130.25 1ba9 s PHE 45 Ca 0.83 -1.87 -0.19 0.00 -0.96 0.00 0.00 56.93 54.74 1ba9 s PHE 45 Cb -0.41 -1.98 0.05 0.00 -0.34 0.00 0.00 43.02 40.34 1ba9 s PHE 45 CO 0.38 -0.81 0.50 -1.01 -1.46 0.00 0.00 175.22 172.82 1ba9 s HIS 46 N 1.23 -0.34 -0.25 10.12 3.76 -0.08 -3.13 115.29 126.61 1ba9 s HIS 46 Ca -0.02 0.06 -0.21 0.00 -0.15 0.00 0.00 55.06 54.74 1ba9 s HIS 46 Cb -0.17 0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.91 1ba9 s HIS 46 CO -0.07 -0.79 0.68 0.08 -0.85 0.00 0.00 174.74 173.80 1ba9 s VAL 47 N -3.79 4.95 0.18 -0.90 1.01 -1.14 -0.61 120.40 120.10 1ba9 s VAL 47 Ca 0.03 1.25 -0.07 0.00 0.00 0.00 0.00 61.98 63.19 1ba9 s VAL 47 Cb 0.00 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 1ba9 s VAL 47 CO -0.11 0.01 0.45 -1.00 0.00 0.00 0.00 175.10 174.44 1ba9 s HIS 48 N 2.56 3.45 -1.15 5.22 3.76 0.11 -0.35 115.29 128.90 1ba9 s HIS 48 Ca 0.29 0.68 -0.19 0.00 -0.15 0.00 0.00 55.06 55.69 1ba9 s HIS 48 Cb -0.15 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 1ba9 s HIS 48 CO 0.08 0.36 2.01 -1.91 -0.85 0.00 0.00 174.74 174.43 1ba9 n GLU 49 N -0.04 2.26 -1.83 1.40 2.13 -0.79 -3.50 120.64 120.26 1ba9 n GLU 49 Ca -0.01 -2.42 0.00 0.00 0.66 0.00 0.00 57.16 55.39 1ba9 n GLU 49 Cb 0.52 -3.25 0.00 0.00 0.27 0.00 0.00 31.44 28.98 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ba9 n GLU 50 N 7.07 0.02 0.00 5.31 -0.58 -1.26 -4.37 120.64 126.83 1ba9 n GLU 50 Ca 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1ba9 n GLU 50 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1ba9 n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1ba9 n GLU 51 N 0.00 0.00 -1.86 3.49 0.28 -1.26 -3.59 120.64 117.70 1ba9 n GLU 51 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 1ba9 n GLU 51 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 1ba9 n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ba9 n ASP 52 N 0.00 3.23 0.00 -1.84 2.03 -1.26 -3.59 116.55 115.12 1ba9 n ASP 52 Ca 0.00 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.58 1ba9 n ASP 52 Cb 0.00 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 38.84 1ba9 n ASP 52 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ba9 n ASN 53 N 11.14 0.00 -2.70 1.67 5.15 -1.26 -4.98 115.26 124.28 1ba9 n ASN 53 Ca 0.47 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.25 1ba9 n ASN 53 Cb 0.44 0.14 -0.07 0.00 -0.53 0.00 0.00 39.78 39.75 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1ba9 n THR 54 N -1.83 2.81 -0.24 -0.44 -2.24 -1.24 -4.62 114.28 106.48 1ba9 n THR 54 Ca 0.00 -1.57 0.02 0.00 -2.27 0.00 0.00 64.05 60.23 1ba9 n THR 54 Cb 0.00 -2.12 0.14 0.00 -2.10 0.00 0.00 70.33 66.24 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 4.75 0.97 -0.91 6.98 0.00 -1.94 0.82 119.26 129.93 1ba9 h ALA 55 Ca 0.42 0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.82 1ba9 h ALA 55 Cb 0.67 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.15 1ba9 h ALA 55 CO 0.97 -0.08 0.53 0.41 0.00 0.00 0.00 179.25 181.08 1ba9 n GLY 56 N -1.30 5.46 3.67 0.00 0.00 -1.26 -4.88 105.19 106.87 1ba9 n GLY 56 Ca 0.11 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 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 -4.61 0.00 -0.06 0.00 -1.04 -1.26 -4.11 114.28 103.20 1ba9 n THR 58 Ca 0.01 1.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.94 1ba9 n THR 58 Cb 0.54 -1.81 -0.08 0.00 -1.82 0.00 0.00 70.33 67.17 1ba9 n THR 58 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1ba9 h SER 59 N 0.00 0.00 -5.04 8.00 0.87 -1.95 -3.49 113.55 111.94 1ba9 h SER 59 Ca 0.00 -0.57 -0.23 0.00 -1.23 0.00 0.00 61.79 59.76 1ba9 h SER 59 Cb 0.00 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 62.12 1ba9 h SER 59 CO 0.00 0.81 -0.69 0.00 -0.53 0.00 0.00 176.83 176.42 1ba9 n ALA 60 N -2.71 -1.97 -1.24 6.23 0.00 -1.26 -4.97 120.51 114.58 1ba9 n ALA 60 Ca -0.06 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1ba9 n ALA 60 Cb 0.29 -3.83 0.05 0.00 0.00 0.00 0.00 19.45 15.96 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 -1.21 -2.19 1.84 0.00 0.00 -1.26 -4.95 105.19 97.41 1ba9 n GLY 61 Ca -0.13 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 1ba9 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 62 N 0.08 -1.84 -1.69 1.61 -0.04 -1.26 -3.85 135.00 128.01 1ba9 n PRO 62 Ca 0.08 -0.93 -0.55 0.00 -0.04 0.00 0.00 63.50 62.06 1ba9 n PRO 62 Cb 0.50 -0.82 -0.07 0.00 -0.04 0.00 0.00 33.50 33.08 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 -3.57 2.01 -1.68 0.54 8.25 -1.26 -1.88 115.22 117.63 1ba9 n HIS 63 Ca 0.08 0.49 -0.45 0.00 -0.26 0.00 0.00 57.72 57.58 1ba9 n HIS 63 Cb 0.30 -2.46 -0.04 0.00 1.12 0.00 0.00 29.99 28.91 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 5.06 2.45 -3.96 4.41 -0.00 0.53 -4.79 117.46 121.17 1ba9 n PHE 64 Ca 0.25 -0.13 -0.36 0.00 -0.00 0.00 0.00 57.45 57.21 1ba9 n PHE 64 Cb 0.16 -2.71 -0.08 0.00 -0.00 0.00 0.00 39.48 36.85 1ba9 n PHE 64 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1ba9 s ASN 65 N 3.56 6.00 -0.05 -2.13 3.84 -1.26 -2.22 114.94 122.68 1ba9 s ASN 65 Ca 0.88 0.28 -0.01 0.00 0.21 0.00 0.00 52.86 54.22 1ba9 s ASN 65 Cb -0.56 -1.96 -0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1ba9 s ASN 65 CO 0.44 0.31 -0.02 1.55 -2.79 0.00 0.00 177.10 176.59 1ba9 h PRO 66 N 5.73 0.00 -0.83 0.43 0.13 -1.90 -3.41 132.00 132.15 1ba9 h PRO 66 Ca -0.47 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 1ba9 h PRO 66 Cb 1.19 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.90 1ba9 h PRO 66 CO 0.64 0.00 -0.84 1.28 -0.23 0.00 0.00 178.00 178.85 1ba9 n LEU 67 N -3.20 4.54 -3.31 1.56 4.77 -1.26 -4.97 117.00 115.13 1ba9 n LEU 67 Ca -0.01 -4.64 -0.19 0.00 -0.03 0.00 0.00 56.01 51.15 1ba9 n LEU 67 Cb 0.03 -0.27 0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1ba9 n LEU 67 CO 0.01 2.02 0.16 -0.24 -1.33 0.00 0.00 177.39 178.01 1ba9 n SER 68 N -0.66 -3.87 -4.84 -1.43 2.88 -1.26 -5.01 113.62 99.43 1ba9 n SER 68 Ca 0.39 -0.54 -0.23 0.00 -1.33 0.00 0.00 58.87 57.16 1ba9 n SER 68 Cb 0.91 -4.76 0.07 0.00 -0.75 0.00 0.00 64.21 59.68 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 -5.70 2.11 0.72 -1.46 0.52 -1.26 -5.11 118.95 108.77 1ba9 s ARG 69 Ca 0.25 -0.71 -0.06 0.00 -0.52 0.00 0.00 55.73 54.69 1ba9 s ARG 69 Cb -0.11 -2.32 0.08 0.00 0.52 0.00 0.00 34.95 33.12 1ba9 s ARG 69 CO 0.68 -1.15 1.02 0.15 0.02 0.00 0.00 175.30 176.02 1ba9 s LYS 70 N -5.06 2.03 0.40 3.54 1.02 -1.26 -4.85 119.74 115.56 1ba9 s LYS 70 Ca 0.61 -0.40 -0.24 0.00 0.02 0.00 0.00 55.97 55.97 1ba9 s LYS 70 Cb -0.09 -2.18 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 1ba9 s LYS 70 CO 0.42 -1.33 1.01 -1.58 -0.92 0.00 0.00 175.35 172.96 1ba9 s HIS 71 N -3.26 3.33 0.00 3.18 5.65 0.11 -3.42 115.29 120.89 1ba9 s HIS 71 Ca 0.62 1.66 0.00 0.00 0.25 0.00 0.00 55.06 57.59 1ba9 s HIS 71 Cb -0.10 -3.04 0.00 0.00 -1.18 0.00 0.00 32.58 28.26 1ba9 s HIS 71 CO 0.45 -0.40 0.00 0.41 -0.65 0.00 0.00 174.74 174.54 1ba9 n GLY 72 N 0.19 2.50 2.95 1.59 0.00 -0.70 -3.94 105.19 107.78 1ba9 n GLY 72 Ca 0.05 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 3.08 0.00 -0.02 0.00 -1.26 -4.61 105.19 102.38 1ba9 n GLY 73 Ca 0.00 -2.29 0.09 0.00 0.00 0.00 0.00 46.02 43.82 1ba9 n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 74 N -1.35 0.43 0.00 1.61 -0.04 -1.20 -1.77 135.00 132.68 1ba9 n PRO 74 Ca -0.06 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ba9 n PRO 74 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.14 1.29 -2.71 0.54 4.76 -1.26 -5.08 118.16 114.55 1ba9 n LYS 75 Ca 0.12 -0.95 -0.27 0.00 -2.87 0.00 0.00 58.31 54.33 1ba9 n LYS 75 Cb 0.11 -0.84 -0.00 0.00 -1.84 0.00 0.00 35.03 32.45 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 -0.49 6.29 0.23 4.39 1.11 -0.73 -4.99 116.67 122.48 1ba9 s ASP 76 Ca 0.00 0.91 0.05 0.00 0.18 0.00 0.00 52.55 53.70 1ba9 s ASP 76 Cb 0.00 -2.24 0.24 0.00 1.07 0.00 0.00 42.92 41.99 1ba9 s ASP 76 CO 0.00 -0.54 1.55 -0.08 1.18 0.00 0.00 175.17 177.28 1ba9 h GLU 77 N 0.37 0.20 -4.28 8.23 4.81 -1.98 -3.36 114.58 118.57 1ba9 h GLU 77 Ca -0.47 -0.14 -0.70 0.00 -0.13 0.00 0.00 59.36 57.91 1ba9 h GLU 77 Cb 1.20 0.02 -0.34 0.00 0.63 0.00 0.00 28.75 30.27 1ba9 h GLU 77 CO 0.62 0.77 -0.49 -1.21 -0.73 0.00 0.00 179.01 177.97 1ba9 s GLU 78 N -3.67 2.18 -0.01 1.92 2.02 -1.26 -5.06 118.70 114.82 1ba9 s GLU 78 Ca -0.03 -1.95 0.05 0.00 0.02 0.00 0.00 54.97 53.05 1ba9 s GLU 78 Cb 0.12 -3.67 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 1ba9 s GLU 78 CO 0.80 -1.11 -0.16 -0.98 0.02 0.00 0.00 175.26 173.82 1ba9 s ARG 79 N 0.94 1.30 1.00 1.61 1.70 -1.22 -1.72 118.95 122.56 1ba9 s ARG 79 Ca 0.10 -0.59 -0.15 0.00 -0.47 0.00 0.00 55.73 54.61 1ba9 s ARG 79 Cb -0.23 -1.26 0.19 0.00 -0.57 0.00 0.00 34.95 33.08 1ba9 s ARG 79 CO -0.04 0.35 1.17 -1.01 -1.08 0.00 0.00 175.30 174.69 1ba9 s HIS 80 N -0.40 1.73 0.20 5.89 3.76 -1.23 -4.84 115.29 120.39 1ba9 s HIS 80 Ca 0.06 0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 55.49 1ba9 s HIS 80 Cb -0.06 -3.59 0.15 0.00 1.11 0.00 0.00 32.58 30.19 1ba9 s HIS 80 CO -0.01 -2.86 1.86 -0.24 -0.85 0.00 0.00 174.74 172.64 1ba9 h VAL 81 N -1.84 1.14 -0.70 -0.90 3.04 -1.75 -2.71 116.25 112.53 1ba9 h VAL 81 Ca -0.48 -0.30 -0.48 0.00 -1.01 0.00 0.00 66.70 64.44 1ba9 h VAL 81 Cb 1.30 0.19 -0.30 0.00 -2.01 0.00 0.00 31.29 30.47 1ba9 h VAL 81 CO 0.48 0.16 -0.16 0.61 -1.01 0.00 0.00 177.57 177.65 1ba9 n GLY 82 N -1.28 5.83 3.25 3.17 0.00 -1.25 -4.60 105.19 110.30 1ba9 n GLY 82 Ca 0.06 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.89 4.34 -1.94 1.61 9.92 -1.02 -2.89 116.55 125.68 1ba9 n ASP 83 Ca 0.46 -2.87 -0.14 0.00 -0.53 0.00 0.00 54.79 51.71 1ba9 n ASP 83 Cb 0.92 -1.69 -0.03 0.00 -0.64 0.00 0.00 41.12 39.68 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 7.90 5.97 0.00 0.64 4.77 -1.18 -3.24 117.00 131.86 1ba9 n LEU 84 Ca 0.50 -3.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 1ba9 n LEU 84 Cb 0.43 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1ba9 n LEU 84 CO 0.82 1.36 0.00 0.61 -1.33 0.00 0.00 177.39 178.86 1ba9 n GLY 85 N 1.14 1.51 3.12 -0.72 0.00 -1.26 -4.48 105.19 104.51 1ba9 n GLY 85 Ca 0.29 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.85 1.18 0.33 1.61 6.03 -1.26 -0.45 114.94 119.52 1ba9 s ASN 86 Ca 0.00 -0.70 0.08 0.00 -1.03 0.00 0.00 52.86 51.21 1ba9 s ASN 86 Cb 0.00 0.03 -0.03 0.00 -3.03 0.00 0.00 41.25 38.21 1ba9 s ASN 86 CO 0.00 -0.24 0.23 0.68 -2.03 0.00 0.00 177.10 175.74 1ba9 s VAL 87 N -1.99 3.45 -0.27 3.54 -7.23 0.27 -4.85 120.40 113.32 1ba9 s VAL 87 Ca -0.01 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1ba9 s VAL 87 Cb -0.06 -3.13 0.05 0.00 0.56 0.00 0.00 36.38 33.81 1ba9 s VAL 87 CO -0.00 -0.20 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.63 1ba9 s THR 88 N -2.33 2.51 0.26 5.32 2.01 -1.26 -0.24 115.64 121.92 1ba9 s THR 88 Ca 0.39 -1.46 -0.29 0.00 0.31 0.00 0.00 61.69 60.63 1ba9 s THR 88 Cb -0.05 -2.43 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 1ba9 s THR 88 CO 0.25 -0.01 0.98 0.00 -0.69 0.00 0.00 174.62 175.15 1ba9 s ALA 89 N 1.18 3.34 0.97 7.40 0.00 0.16 -4.19 121.76 130.62 1ba9 s ALA 89 Ca -0.06 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1ba9 s ALA 89 Cb -0.19 -3.24 0.17 0.00 0.00 0.00 0.00 23.12 19.86 1ba9 s ALA 89 CO -0.04 0.10 1.10 -0.51 0.00 0.00 0.00 175.76 176.41 1ba9 s ASP 90 N -1.16 2.91 0.23 0.00 1.01 0.52 -1.68 116.67 118.50 1ba9 s ASP 90 Ca 0.43 1.17 0.17 0.00 0.71 0.00 0.00 52.55 55.04 1ba9 s ASP 90 Cb -0.27 -1.83 0.88 0.00 1.01 0.00 0.00 42.92 42.71 1ba9 s ASP 90 CO 0.33 -2.95 1.52 2.29 0.21 0.00 0.00 175.17 176.58 1ba9 n LYS 91 N -4.05 0.11 0.00 8.23 -0.00 -1.26 -0.53 118.16 120.66 1ba9 n LYS 91 Ca 0.06 0.56 0.13 0.00 -0.00 0.00 0.00 58.31 59.06 1ba9 n LYS 91 Cb 0.57 -1.83 0.28 0.00 -0.00 0.00 0.00 35.03 34.05 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 -2.06 2.02 -0.23 -5.58 -0.08 -1.26 -4.91 116.55 104.45 1ba9 n ASP 92 Ca -0.00 -1.58 -0.01 0.00 -1.51 0.00 0.00 54.79 51.69 1ba9 n ASP 92 Cb 0.06 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.61 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 1.30 0.50 3.13 0.27 0.00 0.31 -4.75 105.19 105.95 1ba9 n GLY 93 Ca 0.15 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.31 2.41 -0.46 1.61 1.01 -1.25 -1.16 120.40 120.24 1ba9 s VAL 94 Ca 0.01 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.64 1ba9 s VAL 94 Cb -0.00 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1ba9 s VAL 94 CO 0.01 0.22 0.37 0.00 0.00 0.00 0.00 175.10 175.70 1ba9 s ALA 95 N 1.24 3.52 0.36 5.51 0.00 -1.26 -0.36 121.76 130.77 1ba9 s ALA 95 Ca -0.01 -2.08 -0.28 0.00 0.00 0.00 0.00 51.96 49.59 1ba9 s ALA 95 Cb -0.17 -3.00 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 1ba9 s ALA 95 CO -0.07 -1.69 1.29 0.34 0.00 0.00 0.00 175.76 175.62 1ba9 s ASP 96 N 2.46 6.62 0.02 0.00 -1.08 -1.26 -1.42 116.67 122.01 1ba9 s ASP 96 Ca 0.04 2.64 0.08 0.00 -0.52 0.00 0.00 52.55 54.79 1ba9 s ASP 96 Cb -0.24 -2.64 -0.03 0.00 -1.46 0.00 0.00 42.92 38.55 1ba9 s ASP 96 CO 0.06 -0.63 -0.24 -0.69 0.52 0.00 0.00 175.17 174.19 1ba9 s VAL 97 N -1.20 2.31 -0.30 1.11 1.01 0.45 -4.47 120.40 119.31 1ba9 s VAL 97 Ca 0.52 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1ba9 s VAL 97 Cb -0.38 -1.90 0.19 0.00 0.00 0.00 0.00 36.38 34.30 1ba9 s VAL 97 CO 0.50 0.42 0.72 -0.55 0.00 0.00 0.00 175.10 176.19 1ba9 s SER 98 N -1.11 -1.29 0.25 3.32 0.15 -1.26 -0.65 113.70 113.11 1ba9 s SER 98 Ca 0.12 0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 1ba9 s SER 98 Cb -0.10 1.80 0.01 0.00 -1.71 0.00 0.00 66.02 66.02 1ba9 s SER 98 CO 0.02 -0.23 0.37 0.00 1.20 0.00 0.00 173.24 174.60 1ba9 n ILE 99 N 5.25 0.00 -3.93 6.45 3.06 0.08 -4.98 119.36 125.29 1ba9 n ILE 99 Ca 0.07 -1.14 -0.09 0.00 -2.50 0.00 0.00 62.75 59.08 1ba9 n ILE 99 Cb 0.55 0.75 -0.10 0.00 0.54 0.00 0.00 39.64 41.38 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 -2.47 0.54 0.06 9.51 -1.05 -1.26 0.00 118.70 124.02 1ba9 s GLU 100 Ca 0.19 -0.71 -0.00 0.00 -0.15 0.00 0.00 54.97 54.30 1ba9 s GLU 100 Cb -0.01 0.21 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 1ba9 s GLU 100 CO 0.13 -0.13 -0.04 0.34 0.95 0.00 0.00 175.26 176.52 1ba9 s ASP 101 N -1.97 0.61 -0.12 0.83 -1.08 -0.54 -4.95 116.67 109.45 1ba9 s ASP 101 Ca -0.07 -0.90 0.19 0.00 -0.52 0.00 0.00 52.55 51.25 1ba9 s ASP 101 Cb -0.03 0.15 -0.27 0.00 -1.46 0.00 0.00 42.92 41.31 1ba9 s ASP 101 CO -0.03 -0.50 0.27 -0.24 0.52 0.00 0.00 175.17 175.19 1ba9 n SER 102 N 0.38 0.07 -0.03 -0.34 2.88 -1.26 -0.44 113.62 114.88 1ba9 n SER 102 Ca -0.16 0.03 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 1ba9 n SER 102 Cb 0.60 1.27 -0.04 0.00 -0.75 0.00 0.00 64.21 65.29 1ba9 n SER 102 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ba9 h VAL 103 N 0.00 0.54 -4.21 2.46 2.07 -1.96 -3.45 116.25 111.70 1ba9 h VAL 103 Ca -0.33 -1.33 -0.50 0.00 0.82 0.00 0.00 66.70 65.36 1ba9 h VAL 103 Cb 1.76 1.01 0.14 0.00 -1.52 0.00 0.00 31.29 32.68 1ba9 h VAL 103 CO 0.02 0.18 0.29 0.27 0.02 0.00 0.00 177.57 178.35 1ba9 s ILE 104 N -2.03 3.02 0.36 4.57 -5.25 -1.26 -4.94 121.20 115.67 1ba9 s ILE 104 Ca -0.07 0.33 -0.13 0.00 -0.99 0.00 0.00 60.65 59.80 1ba9 s ILE 104 Cb -0.01 -2.81 0.04 0.00 2.95 0.00 0.00 42.46 42.63 1ba9 s ILE 104 CO 0.24 -0.43 0.70 -0.55 -1.79 0.00 0.00 174.94 173.11 1ba9 s SER 105 N -3.39 0.19 -0.35 4.36 0.15 -1.17 -4.55 113.70 108.93 1ba9 s SER 105 Ca 0.62 -1.18 0.08 0.00 0.70 0.00 0.00 55.95 56.18 1ba9 s SER 105 Cb -0.18 0.79 0.65 0.00 -1.71 0.00 0.00 66.02 65.58 1ba9 s SER 105 CO 0.56 -1.56 1.75 0.18 1.20 0.00 0.00 173.24 175.38 1ba9 n LEU 106 N -0.53 5.77 -3.94 3.45 4.32 -1.26 -0.50 117.00 124.30 1ba9 n LEU 106 Ca -0.06 -3.47 -0.09 0.00 -0.02 0.00 0.00 56.01 52.38 1ba9 n LEU 106 Cb 0.60 -0.74 -0.03 0.00 -1.62 0.00 0.00 43.42 41.62 1ba9 n LEU 106 CO 0.26 0.98 0.30 -0.94 -1.22 0.00 0.00 177.39 176.78 1ba9 s SER 107 N -1.52 -0.08 0.93 -1.43 1.04 -1.26 -4.80 113.70 106.59 1ba9 s SER 107 Ca 0.53 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1ba9 s SER 107 Cb 0.44 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.22 1ba9 s SER 107 CO 0.09 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1ba9 n GLY 108 N -0.43 0.53 0.27 7.32 0.00 -1.26 -2.18 105.19 109.44 1ba9 n GLY 108 Ca -0.03 -0.85 0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -0.08 1.61 5.19 -2.00 -2.79 116.42 118.34 1ba9 h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ba9 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ba9 h ASP 109 CO 0.00 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 177.53 1ba9 n HIS 110 N -2.90 0.10 -1.50 4.55 8.25 -1.19 -4.91 115.22 117.62 1ba9 n HIS 110 Ca -0.01 -0.05 -0.39 0.00 -0.26 0.00 0.00 57.72 57.02 1ba9 n HIS 110 Cb 0.18 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.13 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ba9 n SER 111 N 0.05 0.24 0.08 0.41 7.64 -0.93 -3.03 113.62 118.08 1ba9 n SER 111 Ca 0.18 0.06 0.09 0.00 1.01 0.00 0.00 58.87 60.21 1ba9 n SER 111 Cb 0.29 -0.92 0.55 0.00 -1.01 0.00 0.00 64.21 63.12 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1ba9 h ILE 112 N 7.88 0.98 -2.33 0.44 3.07 -1.13 -3.42 117.51 123.01 1ba9 h ILE 112 Ca -0.05 -0.09 -0.55 0.00 1.55 0.00 0.00 64.86 65.72 1ba9 h ILE 112 Cb 1.29 0.70 0.03 0.00 -0.27 0.00 0.00 36.82 38.56 1ba9 h ILE 112 CO 1.40 0.05 1.16 -0.38 -1.05 0.00 0.00 178.15 179.33 1ba9 n ILE 113 N -4.49 0.59 -2.28 0.16 2.08 -1.26 0.52 119.36 114.68 1ba9 n ILE 113 Ca 0.03 -0.11 -0.06 0.00 0.56 0.00 0.00 62.75 63.17 1ba9 n ILE 113 Cb 0.20 -2.16 0.00 0.00 -0.75 0.00 0.00 39.64 36.94 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 4.39 0.21 0.87 7.39 0.00 -0.62 -5.00 105.19 112.43 1ba9 n GLY 114 Ca 0.20 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 1ba9 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 n ARG 115 N -1.65 1.14 -4.15 1.61 5.12 0.18 -4.45 116.66 114.46 1ba9 n ARG 115 Ca -0.06 -0.75 -0.19 0.00 -1.93 0.00 0.00 57.85 54.93 1ba9 n ARG 115 Cb 0.55 0.02 -0.16 0.00 -1.16 0.00 0.00 32.46 31.71 1ba9 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1ba9 s THR 116 N -0.27 0.47 0.34 0.55 2.01 -1.23 -1.50 115.64 116.02 1ba9 s THR 116 Ca 0.10 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1ba9 s THR 116 Cb -0.01 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1ba9 s THR 116 CO 0.06 0.19 0.57 -0.76 -0.69 0.00 0.00 174.62 174.00 1ba9 s LEU 117 N 0.70 3.99 0.02 4.42 1.43 0.60 0.09 118.68 129.93 1ba9 s LEU 117 Ca -0.09 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1ba9 s LEU 117 Cb -0.12 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 1ba9 s LEU 117 CO -0.00 -0.30 -0.03 -0.69 0.23 0.00 0.00 176.35 175.56 1ba9 s VAL 118 N -2.30 0.16 -0.24 -1.59 1.01 0.22 -1.21 120.40 116.44 1ba9 s VAL 118 Ca 0.41 -0.71 0.17 0.00 0.00 0.00 0.00 61.98 61.85 1ba9 s VAL 118 Cb -0.10 -0.26 -0.24 0.00 0.00 0.00 0.00 36.38 35.78 1ba9 s VAL 118 CO 0.36 -0.35 0.47 0.55 0.00 0.00 0.00 175.10 176.12 1ba9 n VAL 119 N 1.95 0.00 -1.48 2.92 3.14 -1.12 -0.90 118.33 122.84 1ba9 n VAL 119 Ca -0.21 -0.31 0.18 0.00 -2.96 0.00 0.00 64.34 61.05 1ba9 n VAL 119 Cb 0.56 0.37 -0.09 0.00 -1.06 0.00 0.00 33.84 33.62 1ba9 n VAL 119 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1ba9 n HIS 120 N -1.89 -3.96 0.17 1.45 8.25 -1.05 -2.17 115.22 116.01 1ba9 n HIS 120 Ca -0.01 2.17 -0.07 0.00 -0.26 0.00 0.00 57.72 59.54 1ba9 n HIS 120 Cb 0.39 -3.61 -0.04 0.00 1.12 0.00 0.00 29.99 27.86 1ba9 n HIS 120 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ba9 h GLU 121 N -1.45 -0.47 0.00 -0.41 4.81 -0.37 -3.39 114.58 113.30 1ba9 h GLU 121 Ca -0.18 0.03 -0.43 0.00 -0.13 0.00 0.00 59.36 58.65 1ba9 h GLU 121 Cb 1.42 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.91 1ba9 h GLU 121 CO 0.07 -0.31 -0.10 1.63 -0.73 0.00 0.00 179.01 179.57 1ba9 n LYS 122 N -4.82 0.70 -1.77 1.92 4.76 -0.02 -4.81 118.16 114.12 1ba9 n LYS 122 Ca -0.06 -2.71 -0.34 0.00 -2.87 0.00 0.00 58.31 52.33 1ba9 n LYS 122 Cb 0.19 -0.07 0.05 0.00 -1.84 0.00 0.00 35.03 33.36 1ba9 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ba9 s ALA 123 N -2.61 2.40 -0.20 7.82 0.00 -0.34 -1.29 121.76 127.55 1ba9 s ALA 123 Ca 0.45 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 1ba9 s ALA 123 Cb -0.04 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1ba9 s ALA 123 CO 0.29 -1.39 0.37 0.34 0.00 0.00 0.00 175.76 175.37 1ba9 s ASP 124 N -2.07 6.42 -0.20 0.00 2.15 -1.26 -3.81 116.67 117.90 1ba9 s ASP 124 Ca 0.73 0.49 0.01 0.00 0.43 0.00 0.00 52.55 54.21 1ba9 s ASP 124 Cb -0.26 -2.22 0.21 0.00 -0.30 0.00 0.00 42.92 40.35 1ba9 s ASP 124 CO 0.39 -0.05 1.63 -0.67 -0.17 0.00 0.00 175.17 176.30 1ba9 n ASP 125 N 4.34 4.55 -4.15 -0.34 2.03 0.15 -4.80 116.55 118.33 1ba9 n ASP 125 Ca -0.09 -2.74 -0.35 0.00 0.52 0.00 0.00 54.79 52.13 1ba9 n ASP 125 Cb 0.51 -0.82 -0.07 0.00 -0.72 0.00 0.00 41.12 40.02 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 0.20 -0.75 -1.54 -2.67 4.77 -1.26 -0.91 117.00 114.84 1ba9 n LEU 126 Ca 0.23 -1.10 -0.18 0.00 -0.03 0.00 0.00 56.01 54.93 1ba9 n LEU 126 Cb 0.77 -1.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.39 1ba9 n LEU 126 CO 0.26 0.16 -0.17 0.61 -1.33 0.00 0.00 177.39 176.91 1ba9 n GLY 127 N -1.31 1.71 0.27 -0.72 0.00 -1.25 -4.27 105.19 99.61 1ba9 n GLY 127 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 h LYS 128 N 0.00 0.25 -0.59 1.61 1.57 -1.33 0.13 116.57 118.22 1ba9 h LYS 128 Ca -0.37 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.53 1ba9 h LYS 128 Cb 1.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1ba9 h LYS 128 CO 0.55 0.25 0.41 0.78 -0.57 0.00 0.00 179.45 180.86 1ba9 h GLY 129 N 0.44 0.21 -4.19 3.86 0.00 -1.89 -3.46 103.07 98.04 1ba9 h GLY 129 Ca 0.06 -0.05 -0.40 0.00 0.00 0.00 0.00 47.33 46.94 1ba9 h GLY 129 CO -0.00 0.02 -0.58 0.61 0.00 0.00 0.00 176.54 176.59 1ba9 n GLY 130 N -1.61 -0.52 2.57 4.60 0.00 0.47 -4.90 105.19 105.80 1ba9 n GLY 130 Ca 0.11 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1ba9 n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ba9 n ASN 131 N -2.37 3.25 0.00 1.61 2.04 -1.26 -4.83 115.26 113.69 1ba9 n ASN 131 Ca -0.14 -3.30 0.00 0.00 -0.44 0.00 0.00 54.58 50.70 1ba9 n ASN 131 Cb 0.63 -0.51 0.00 0.00 -2.53 0.00 0.00 39.78 37.38 1ba9 n ASN 131 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1ba9 n GLU 132 N -0.26 0.00 -0.01 -3.83 1.02 -1.26 -4.18 120.64 112.12 1ba9 n GLU 132 Ca 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.35 1ba9 n GLU 132 Cb 0.69 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.08 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 -0.20 -0.44 3.49 -0.00 -1.97 0.88 115.11 116.87 1ba9 h GLN 133 Ca 0.00 0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.75 1ba9 h GLN 133 Cb 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 27.48 27.44 1ba9 h GLN 133 CO 0.00 -0.14 -0.12 0.77 0.00 0.00 0.00 178.83 179.34 1ba9 h SER 134 N -0.21 -0.45 0.25 -0.69 0.02 -1.90 0.60 113.55 111.17 1ba9 h SER 134 Ca 0.01 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1ba9 h SER 134 Cb 0.25 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1ba9 h SER 134 CO -0.17 -0.16 0.00 0.41 -1.14 0.00 0.00 176.83 175.77 1ba9 n THR 135 N -5.34 1.33 -0.05 -2.27 -1.04 -0.34 -0.04 114.28 106.53 1ba9 n THR 135 Ca 0.03 0.33 -0.05 0.00 -2.04 0.00 0.00 64.05 62.32 1ba9 n THR 135 Cb 0.25 -1.20 -0.08 0.00 -1.82 0.00 0.00 70.33 67.48 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 -1.46 2.18 0.00 -2.82 4.81 0.29 0.08 118.16 121.25 1ba9 n LYS 136 Ca 0.02 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1ba9 n LYS 136 Cb 0.09 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 33.86 1ba9 n LYS 136 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1ba9 n THR 137 N -2.41 0.00 -0.42 3.15 5.66 0.20 -4.20 114.28 116.25 1ba9 n THR 137 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1ba9 n THR 137 Cb 0.85 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ba9 n GLY 138 N 0.00 0.80 2.54 1.09 0.00 0.94 -4.13 105.19 106.42 1ba9 n GLY 138 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 0.79 -5.41 0.22 1.61 5.15 -1.26 -0.68 115.26 115.68 1ba9 n ASN 139 Ca 0.00 0.40 0.14 0.00 -0.60 0.00 0.00 54.58 54.52 1ba9 n ASN 139 Cb 0.01 -4.61 0.37 0.00 -0.53 0.00 0.00 39.78 35.02 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 0.16 1.00 0.00 5.20 0.00 -1.72 -3.47 119.26 120.43 1ba9 h ALA 140 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ba9 h ALA 140 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ba9 h ALA 140 CO 0.58 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1ba9 n GLY 141 N 0.75 -0.73 3.57 0.00 0.00 -1.26 -0.84 105.19 106.68 1ba9 n GLY 141 Ca 0.03 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 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 1.82 -0.65 1.61 0.01 -1.26 -4.53 113.70 106.71 1ba9 s SER 142 Ca 0.00 1.65 -0.18 0.00 1.31 0.00 0.00 55.95 58.72 1ba9 s SER 142 Cb 0.00 -2.32 0.12 0.00 0.21 0.00 0.00 66.02 64.03 1ba9 s SER 142 CO 0.00 -3.70 0.73 -0.13 0.41 0.00 0.00 173.24 170.55 1ba9 s ARG 143 N -4.60 3.15 0.15 12.44 3.00 -1.26 0.14 118.95 131.98 1ba9 s ARG 143 Ca 0.67 -1.52 -0.17 0.00 0.00 0.00 0.00 55.73 54.72 1ba9 s ARG 143 Cb -0.23 -4.35 0.07 0.00 0.00 0.00 0.00 34.95 30.44 1ba9 s ARG 143 CO 0.62 -1.52 1.73 -0.07 0.00 0.00 0.00 175.30 176.05 1ba9 h LEU 144 N 9.69 -0.00 -8.05 2.53 -0.00 -1.88 -3.43 115.31 114.17 1ba9 h LEU 144 Ca -0.21 0.06 -0.22 0.00 -0.00 0.00 0.00 57.88 57.51 1ba9 h LEU 144 Cb 1.08 0.08 -0.22 0.00 -0.00 0.00 0.00 40.66 41.60 1ba9 h LEU 144 CO 1.06 0.04 -0.72 0.00 -0.00 0.00 0.00 178.44 178.82 1ba9 s ALA 145 N -6.17 0.32 0.11 1.53 0.00 -1.26 -2.05 121.76 114.24 1ba9 s ALA 145 Ca -0.13 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.25 1ba9 s ALA 145 Cb 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1ba9 s ALA 145 CO 0.71 -0.08 -0.12 0.00 0.00 0.00 0.00 175.76 176.27 1ba9 s GLY 147 N -2.46 -0.53 0.40 0.00 0.00 -0.35 -0.82 107.32 103.56 1ba9 s GLY 147 Ca 0.07 2.02 -0.18 0.00 0.00 0.00 0.00 44.72 46.63 1ba9 s GLY 147 CO 0.01 1.72 0.86 0.54 0.00 0.00 0.00 173.10 176.23 1ba9 s VAL 148 N 0.30 4.54 0.04 1.40 0.11 -1.26 -0.29 120.40 125.24 1ba9 s VAL 148 Ca -0.00 1.20 -0.23 0.00 -2.93 0.00 0.00 61.98 60.02 1ba9 s VAL 148 Cb -0.05 -3.63 -0.06 0.00 -1.53 0.00 0.00 36.38 31.12 1ba9 s VAL 148 CO 0.01 -0.33 0.69 -0.63 -3.33 0.00 0.00 175.10 171.51 1ba9 s ILE 149 N -2.18 4.75 0.08 7.04 -1.09 -0.56 -3.78 121.20 125.46 1ba9 s ILE 149 Ca 0.58 1.48 -0.06 0.00 -2.23 0.00 0.00 60.65 60.42 1ba9 s ILE 149 Cb -0.10 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.73 1ba9 s ILE 149 CO 0.18 0.42 0.12 -0.83 -1.23 0.00 0.00 174.94 173.60 1ba9 s GLY 150 N -0.31 0.29 0.46 6.18 0.00 -0.32 -1.59 107.32 112.02 1ba9 s GLY 150 Ca 0.35 -0.87 -0.24 0.00 0.00 0.00 0.00 44.72 43.96 1ba9 s GLY 150 CO 0.21 -1.00 1.31 -0.42 0.00 0.00 0.00 173.10 173.20 1ba9 s ILE 151 N -3.90 2.49 -0.84 0.90 -1.09 -1.26 -0.09 121.20 117.42 1ba9 s ILE 151 Ca 0.07 0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 58.88 1ba9 s ILE 151 Cb 0.06 -3.23 0.27 0.00 -1.58 0.00 0.00 42.46 37.99 1ba9 s ILE 151 CO -0.09 0.03 2.16 0.00 -1.23 0.00 0.00 174.94 175.81 1ba9 n ALA 152 N -0.33 6.45 -0.41 9.38 0.00 -0.07 -4.52 120.51 131.01 1ba9 n ALA 152 Ca 0.06 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.49 1ba9 n ALA 152 Cb 0.44 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1ba9 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54