#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 s THR 2 N 0.00 2.28 -0.38 0.00 -1.32 -1.26 -5.00 115.64 109.97 1ba9 s THR 2 Ca 0.00 -2.54 0.04 0.00 -1.21 0.00 0.00 61.69 57.97 1ba9 s THR 2 Cb 0.00 -2.66 0.16 0.00 -1.51 0.00 0.00 72.50 68.48 1ba9 s THR 2 CO 0.00 -0.65 0.40 -0.54 -2.21 0.00 0.00 174.62 171.62 1ba9 s LYS 3 N 0.64 0.66 0.17 7.08 3.01 -1.26 -4.71 119.74 125.33 1ba9 s LYS 3 Ca 0.12 -0.82 0.11 0.00 -1.01 0.00 0.00 55.97 54.38 1ba9 s LYS 3 Cb -0.21 -0.65 -0.04 0.00 -1.01 0.00 0.00 37.83 35.92 1ba9 s LYS 3 CO -0.07 -1.20 -0.25 0.00 0.51 0.00 0.00 175.35 174.35 1ba9 s ALA 4 N 1.45 2.45 0.03 5.17 0.00 -0.94 -0.59 121.76 129.32 1ba9 s ALA 4 Ca 0.17 -1.56 -0.10 0.00 0.00 0.00 0.00 51.96 50.47 1ba9 s ALA 4 Cb -0.14 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1ba9 s ALA 4 CO -0.03 0.47 0.21 0.54 0.00 0.00 0.00 175.76 176.94 1ba9 s VAL 5 N -1.43 0.09 -0.15 0.00 0.11 0.36 -0.50 120.40 118.89 1ba9 s VAL 5 Ca 0.18 -0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 58.40 1ba9 s VAL 5 Cb -0.09 -0.78 0.06 0.00 -1.53 0.00 0.00 36.38 34.04 1ba9 s VAL 5 CO 0.08 -0.43 0.08 0.00 -3.33 0.00 0.00 175.10 171.50 1ba9 s ALA 6 N -2.17 0.43 -0.74 1.54 0.00 -0.11 -0.77 121.76 119.93 1ba9 s ALA 6 Ca -0.08 -0.25 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 1ba9 s ALA 6 Cb -0.03 -0.97 0.07 0.00 0.00 0.00 0.00 23.12 22.19 1ba9 s ALA 6 CO -0.02 -1.06 1.07 0.14 0.00 0.00 0.00 175.76 175.89 1ba9 s VAL 7 N 2.13 4.28 0.50 0.00 -7.23 -1.25 -0.55 120.40 118.28 1ba9 s VAL 7 Ca 0.02 -0.50 -0.23 0.00 -1.81 0.00 0.00 61.98 59.47 1ba9 s VAL 7 Cb -0.15 -4.76 -0.06 0.00 0.56 0.00 0.00 36.38 31.96 1ba9 s VAL 7 CO -0.08 -1.56 1.29 -0.76 -0.31 0.00 0.00 175.10 173.69 1ba9 s LEU 8 N 4.12 3.95 -0.17 1.32 1.02 0.87 -4.26 118.68 125.53 1ba9 s LEU 8 Ca 0.27 2.61 -0.20 0.00 0.02 0.00 0.00 54.13 56.83 1ba9 s LEU 8 Cb -0.12 -4.21 0.05 0.00 0.02 0.00 0.00 46.19 41.93 1ba9 s LEU 8 CO 0.06 -1.27 0.54 -0.75 0.02 0.00 0.00 176.35 174.95 1ba9 s LYS 9 N -2.75 0.69 0.00 1.70 2.20 0.39 -0.97 119.74 121.00 1ba9 s LYS 9 Ca 0.67 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 1ba9 s LYS 9 Cb -0.36 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1ba9 s LYS 9 CO 0.44 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 1ba9 n GLY 10 N 2.40 6.41 0.23 5.54 0.00 0.86 -0.93 105.19 119.70 1ba9 n GLY 10 Ca -0.15 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 1ba9 n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ba9 h ASP 11 N 0.00 0.71 -0.84 1.61 2.03 -1.87 -3.47 116.42 114.59 1ba9 h ASP 11 Ca 0.00 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1ba9 h ASP 11 Cb 0.00 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 1ba9 h ASP 11 CO 0.00 0.79 0.00 0.61 -1.03 0.00 0.00 179.24 179.61 1ba9 n GLY 12 N -0.50 2.78 0.00 7.15 0.00 -1.26 -4.98 105.19 108.38 1ba9 n GLY 12 Ca 0.00 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.21 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 0.54 -1.44 1.61 -0.04 -1.26 -4.74 135.00 129.66 1ba9 n PRO 13 Ca 0.00 0.01 -0.48 0.00 -0.04 0.00 0.00 63.50 62.99 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 0.28 -0.04 0.00 0.00 175.50 175.74 1ba9 n VAL 14 N -1.21 0.07 -3.91 0.52 0.31 -1.26 -4.40 118.33 108.45 1ba9 n VAL 14 Ca 0.16 -0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 1ba9 n VAL 14 Cb 0.19 -1.37 -0.09 0.00 -0.91 0.00 0.00 33.84 31.67 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 7.08 0.69 -0.30 5.55 -2.07 -1.24 -0.10 119.66 129.28 1ba9 s GLN 15 Ca 1.15 -0.85 -0.13 0.00 -1.82 0.00 0.00 55.36 53.72 1ba9 s GLN 15 Cb -0.95 0.28 0.13 0.00 -1.09 0.00 0.00 33.01 31.37 1ba9 s GLN 15 CO 0.49 -0.19 0.77 0.20 -1.32 0.00 0.00 175.29 175.23 1ba9 s GLY 16 N -2.45 -0.52 -0.86 2.60 0.00 -0.14 0.24 107.32 106.20 1ba9 s GLY 16 Ca -0.00 2.61 -0.21 0.00 0.00 0.00 0.00 44.72 47.12 1ba9 s GLY 16 CO -0.07 2.99 1.12 -0.42 0.00 0.00 0.00 173.10 176.72 1ba9 s ILE 17 N 2.49 4.49 0.42 0.90 1.09 -1.12 -0.09 121.20 129.37 1ba9 s ILE 17 Ca -0.06 -1.07 -0.24 0.00 -1.10 0.00 0.00 60.65 58.17 1ba9 s ILE 17 Cb -0.09 -4.79 -0.08 0.00 -1.06 0.00 0.00 42.46 36.44 1ba9 s ILE 17 CO -0.18 -1.55 1.16 -0.63 -0.10 0.00 0.00 174.94 173.63 1ba9 s ILE 18 N 3.45 3.17 -0.03 2.92 -1.09 0.29 -3.10 121.20 126.81 1ba9 s ILE 18 Ca 0.31 0.94 0.05 0.00 -2.23 0.00 0.00 60.65 59.72 1ba9 s ILE 18 Cb -0.08 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1ba9 s ILE 18 CO -0.03 0.05 -0.16 0.20 -1.23 0.00 0.00 174.94 173.76 1ba9 s ASN 19 N -1.24 1.98 -0.15 3.58 -0.87 0.34 -0.94 114.94 117.64 1ba9 s ASN 19 Ca 0.59 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 51.59 1ba9 s ASN 19 Cb -0.29 -0.39 0.02 0.00 -0.02 0.00 0.00 41.25 40.57 1ba9 s ASN 19 CO 0.36 0.17 -0.19 -0.36 -2.57 0.00 0.00 177.10 174.52 1ba9 s PHE 20 N -0.16 2.49 0.22 2.20 0.08 0.34 -0.70 117.98 122.45 1ba9 s PHE 20 Ca 0.01 -1.35 0.11 0.00 0.12 0.00 0.00 56.93 55.82 1ba9 s PHE 20 Cb -0.09 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 1ba9 s PHE 20 CO 0.01 -0.67 -0.20 -2.00 -0.10 0.00 0.00 175.22 172.26 1ba9 s GLU 21 N 1.14 1.51 0.15 0.44 2.12 -0.70 -2.22 118.70 121.13 1ba9 s GLU 21 Ca -0.01 -1.61 0.00 0.00 0.36 0.00 0.00 54.97 53.71 1ba9 s GLU 21 Cb -0.14 -1.61 0.00 0.00 0.26 0.00 0.00 34.13 32.64 1ba9 s GLU 21 CO -0.07 0.31 0.00 0.94 -0.54 0.00 0.00 175.26 175.90 1ba9 n GLN 22 N -0.18 0.00 0.00 4.30 0.00 -1.26 -0.42 117.38 119.81 1ba9 n GLN 22 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 1ba9 n GLN 22 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 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 -2.91 0.00 0.03 3.69 0.00 -1.26 -4.53 118.16 113.18 1ba9 n LYS 23 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.35 1ba9 n LYS 23 Cb 0.00 -0.09 0.20 0.00 0.00 0.00 0.00 35.03 35.14 1ba9 n LYS 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ba9 n GLU 24 N 0.00 0.03 0.00 1.64 1.02 -1.26 -4.87 120.64 117.20 1ba9 n GLU 24 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1ba9 n GLU 24 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1ba9 n GLU 24 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ba9 n SER 25 N -1.65 0.00 -2.54 1.62 2.88 -1.26 -4.06 113.62 108.61 1ba9 n SER 25 Ca 0.01 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.38 1ba9 n SER 25 Cb 0.07 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.55 1ba9 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ba9 n ASN 26 N 2.64 3.19 -1.22 -3.46 3.02 -1.26 -4.93 115.26 113.24 1ba9 n ASN 26 Ca 0.00 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.36 1ba9 n ASN 26 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1ba9 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ba9 n GLY 27 N -0.35 4.66 3.71 7.41 0.00 -1.26 -5.11 105.19 114.26 1ba9 n GLY 27 Ca 0.25 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.36 4.30 0.30 1.61 0.04 -1.26 -4.89 135.00 133.75 1ba9 s PRO 28 Ca 0.00 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 1ba9 s PRO 28 Cb 0.00 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 1ba9 s PRO 28 CO 0.00 -0.48 1.29 0.08 0.04 0.00 0.00 177.00 177.93 1ba9 s VAL 29 N 1.35 2.87 -0.26 -0.36 1.01 0.64 -4.69 120.40 120.96 1ba9 s VAL 29 Ca 0.65 0.85 -0.16 0.00 0.00 0.00 0.00 61.98 63.32 1ba9 s VAL 29 Cb -0.37 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1ba9 s VAL 29 CO 0.30 0.19 0.42 -0.54 0.00 0.00 0.00 175.10 175.47 1ba9 s LYS 30 N -1.44 4.06 -0.36 2.72 3.01 0.44 -1.04 119.74 127.12 1ba9 s LYS 30 Ca 0.50 0.15 -0.15 0.00 -1.01 0.00 0.00 55.97 55.46 1ba9 s LYS 30 Cb -0.38 -3.64 -0.00 0.00 -1.01 0.00 0.00 37.83 32.79 1ba9 s LYS 30 CO 0.49 -0.27 0.34 0.08 0.51 0.00 0.00 175.35 176.50 1ba9 s VAL 31 N 2.04 5.19 0.29 3.17 1.01 0.91 -1.72 120.40 131.30 1ba9 s VAL 31 Ca 0.18 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.09 1ba9 s VAL 31 Cb -0.16 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1ba9 s VAL 31 CO 0.09 -0.16 -0.08 0.26 0.00 0.00 0.00 175.10 175.21 1ba9 s TRP 32 N 1.93 2.50 0.14 5.22 0.51 0.12 -0.70 118.94 128.67 1ba9 s TRP 32 Ca 0.10 -0.31 -0.22 0.00 -2.12 0.00 0.00 56.10 53.54 1ba9 s TRP 32 Cb -0.17 -1.17 0.08 0.00 -0.81 0.00 0.00 33.47 31.40 1ba9 s TRP 32 CO 0.12 0.63 1.05 0.41 -0.51 0.00 0.00 176.95 178.65 1ba9 n GLY 33 N -0.79 0.54 3.19 0.98 0.00 -0.74 -0.50 105.19 107.87 1ba9 n GLY 33 Ca -0.05 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.45 -1.45 0.99 1.61 0.01 -1.18 -0.46 113.70 109.76 1ba9 s SER 34 Ca 0.24 -0.73 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 1ba9 s SER 34 Cb -0.02 1.93 0.18 0.00 0.21 0.00 0.00 66.02 68.31 1ba9 s SER 34 CO 0.04 -0.18 1.08 -0.63 0.41 0.00 0.00 173.24 173.96 1ba9 s ILE 35 N 1.92 2.32 -0.49 1.44 1.01 -0.21 -2.80 121.20 124.40 1ba9 s ILE 35 Ca 0.16 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1ba9 s ILE 35 Cb -0.05 -2.44 0.19 0.00 0.01 0.00 0.00 42.46 40.17 1ba9 s ILE 35 CO -0.08 -0.14 0.68 -0.75 0.00 0.00 0.00 174.94 174.65 1ba9 s LYS 36 N -4.80 1.00 0.00 2.79 2.20 0.14 -3.50 119.74 117.57 1ba9 s LYS 36 Ca 0.65 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 1ba9 s LYS 36 Cb -0.20 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.04 1ba9 s LYS 36 CO 0.59 -1.30 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 1ba9 n GLY 37 N 3.31 0.02 0.00 5.54 0.00 0.04 -3.72 105.19 110.38 1ba9 n GLY 37 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ba9 n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ba9 n LEU 38 N 0.00 0.00 -3.85 0.99 7.94 -0.80 -4.32 117.00 116.97 1ba9 n LEU 38 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 1ba9 n LEU 38 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 1ba9 n LEU 38 CO 0.00 -0.04 -0.25 0.42 -1.11 0.00 0.00 177.39 176.41 1ba9 s THR 39 N 0.00 0.01 0.69 1.96 -4.23 -1.26 -4.37 115.64 108.44 1ba9 s THR 39 Ca 0.00 -0.08 -0.17 0.00 -1.18 0.00 0.00 61.69 60.26 1ba9 s THR 39 Cb 0.00 -0.17 -0.04 0.00 1.34 0.00 0.00 72.50 73.63 1ba9 s THR 39 CO 0.00 -0.05 0.64 1.21 -0.54 0.00 0.00 174.62 175.89 1ba9 n GLU 40 N 2.87 0.42 0.00 3.99 0.00 -1.20 -4.52 120.64 122.19 1ba9 n GLU 40 Ca -0.13 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1ba9 n GLU 40 Cb 0.59 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 30.12 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 1.54 1.07 3.38 8.31 0.00 -1.04 -4.87 105.19 113.58 1ba9 n GLY 41 Ca 0.11 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 1ba9 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ba9 s LEU 42 N 0.00 0.10 -0.01 0.99 2.34 -1.26 -3.05 118.68 117.79 1ba9 s LEU 42 Ca 0.00 0.34 0.00 0.00 0.06 0.00 0.00 54.13 54.53 1ba9 s LEU 42 Cb 0.00 1.92 0.01 0.00 -0.56 0.00 0.00 46.19 47.56 1ba9 s LEU 42 CO 0.00 -0.57 0.01 -1.00 -1.06 0.00 0.00 176.35 173.73 1ba9 s HIS 43 N -1.53 0.05 0.50 3.48 3.76 0.34 -3.74 115.29 118.15 1ba9 s HIS 43 Ca -0.11 0.03 -0.23 0.00 -0.15 0.00 0.00 55.06 54.61 1ba9 s HIS 43 Cb -0.02 -0.11 -0.06 0.00 1.11 0.00 0.00 32.58 33.50 1ba9 s HIS 43 CO 0.05 -0.03 1.34 0.20 -0.85 0.00 0.00 174.74 175.45 1ba9 s GLY 44 N 0.37 2.88 -0.13 -2.22 0.00 -0.08 -0.50 107.32 107.65 1ba9 s GLY 44 Ca -0.03 1.30 -0.04 0.00 0.00 0.00 0.00 44.72 45.94 1ba9 s GLY 44 CO -0.01 1.84 0.24 -0.12 0.00 0.00 0.00 173.10 175.05 1ba9 s PHE 45 N -1.31 -0.37 0.19 1.90 2.19 -0.45 -0.73 117.98 119.41 1ba9 s PHE 45 Ca 0.66 0.87 -0.15 0.00 0.33 0.00 0.00 56.93 58.64 1ba9 s PHE 45 Cb -0.39 -0.10 0.02 0.00 -1.31 0.00 0.00 43.02 41.24 1ba9 s PHE 45 CO 0.48 -0.36 0.47 -1.01 1.83 0.00 0.00 175.22 176.63 1ba9 s HIS 46 N 2.39 0.04 -0.23 10.12 3.76 -0.45 -3.50 115.29 127.43 1ba9 s HIS 46 Ca 0.02 -0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 54.34 1ba9 s HIS 46 Cb -0.12 0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.82 1ba9 s HIS 46 CO -0.08 -0.89 0.55 0.14 -0.85 0.00 0.00 174.74 173.61 1ba9 s VAL 47 N -3.91 5.06 0.38 -0.90 -7.23 -1.15 -0.90 120.40 111.75 1ba9 s VAL 47 Ca 0.12 0.98 0.05 0.00 -1.81 0.00 0.00 61.98 61.32 1ba9 s VAL 47 Cb -0.00 -3.86 -0.00 0.00 0.56 0.00 0.00 36.38 33.07 1ba9 s VAL 47 CO -0.01 0.11 0.54 -1.00 -0.31 0.00 0.00 175.10 174.44 1ba9 s HIS 48 N 2.08 3.08 1.32 2.82 3.76 0.10 -0.79 115.29 127.67 1ba9 s HIS 48 Ca 0.24 -0.14 -0.22 0.00 -0.15 0.00 0.00 55.06 54.79 1ba9 s HIS 48 Cb -0.16 -2.16 0.34 0.00 1.11 0.00 0.00 32.58 31.71 1ba9 s HIS 48 CO 0.09 -0.19 0.92 0.39 -0.85 0.00 0.00 174.74 175.09 1ba9 n GLU 49 N -1.81 -4.12 0.00 1.40 1.02 -0.72 -3.04 120.64 113.37 1ba9 n GLU 49 Ca 0.02 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1ba9 n GLU 49 Cb 0.58 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1ba9 n GLU 49 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ba9 n GLU 50 N -5.30 0.00 0.00 3.49 -0.58 -1.26 -4.14 120.64 112.85 1ba9 n GLU 50 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1ba9 n GLU 50 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1ba9 n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ba9 n GLU 51 N -0.77 0.00 -2.03 3.49 0.00 -1.26 -3.42 120.64 116.65 1ba9 n GLU 51 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1ba9 n GLU 51 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 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 1.62 6.66 0.00 4.31 2.15 -1.26 -4.40 116.67 125.75 1ba9 s ASP 52 Ca 0.00 2.73 0.00 0.00 0.43 0.00 0.00 52.55 55.71 1ba9 s ASP 52 Cb 0.00 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1ba9 s ASP 52 CO 0.00 -0.66 0.00 -3.20 -0.17 0.00 0.00 175.17 171.14 1ba9 n ASN 53 N 1.46 0.00 -1.72 -0.34 2.85 -1.26 -5.05 115.26 111.20 1ba9 n ASN 53 Ca 0.03 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.45 1ba9 n ASN 53 Cb 0.41 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.36 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1ba9 n THR 54 N 0.00 2.34 -0.32 -0.44 5.66 -1.26 -4.68 114.28 115.58 1ba9 n THR 54 Ca 0.00 -0.89 0.29 0.00 -3.05 0.00 0.00 64.05 60.40 1ba9 n THR 54 Cb 0.00 -1.69 0.55 0.00 -1.55 0.00 0.00 70.33 67.64 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ba9 h ALA 55 N 1.91 2.08 -1.17 1.79 0.00 -1.96 -0.16 119.26 121.76 1ba9 h ALA 55 Ca 0.08 0.25 -0.38 0.00 0.00 0.00 0.00 54.91 54.85 1ba9 h ALA 55 Cb 1.18 0.28 -0.40 0.00 0.00 0.00 0.00 17.79 18.85 1ba9 h ALA 55 CO 0.10 -0.83 -1.19 0.41 0.00 0.00 0.00 179.25 177.74 1ba9 n GLY 56 N -1.27 1.95 3.73 0.00 0.00 -1.26 -4.98 105.19 103.35 1ba9 n GLY 56 Ca 0.36 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.86 0.00 -0.10 0.00 -2.24 -1.26 -4.84 114.28 100.97 1ba9 n THR 58 Ca 0.01 0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.83 1ba9 n THR 58 Cb 0.55 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.25 1.50 0.00 3.42 7.64 -1.26 -5.00 113.62 119.66 1ba9 n SER 59 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1ba9 n SER 59 Cb 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 -3.96 0.00 0.00 -0.43 0.00 -1.26 -4.72 120.51 110.14 1ba9 n ALA 60 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1ba9 n ALA 60 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 0.00 2.10 3.84 0.00 0.00 -1.26 -4.34 105.19 105.53 1ba9 n GLY 61 Ca 0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.94 -0.18 0.50 1.61 0.04 -1.26 -4.75 135.00 129.01 1ba9 s PRO 62 Ca 0.00 -0.43 -0.22 0.00 0.04 0.00 0.00 61.00 60.39 1ba9 s PRO 62 Cb 0.00 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 1ba9 s PRO 62 CO 0.00 -2.96 1.06 0.72 0.04 0.00 0.00 177.00 175.86 1ba9 n HIS 63 N -4.15 1.29 -0.79 0.56 8.25 -1.26 -1.75 115.22 117.37 1ba9 n HIS 63 Ca 0.16 0.49 -0.29 0.00 -0.26 0.00 0.00 57.72 57.82 1ba9 n HIS 63 Cb 0.59 -2.23 0.24 0.00 1.12 0.00 0.00 29.99 29.71 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N -1.36 0.95 -0.02 4.41 5.36 0.03 -4.49 117.98 122.87 1ba9 s PHE 64 Ca 0.68 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 57.50 1ba9 s PHE 64 Cb -0.48 -3.18 0.01 0.00 -0.34 0.00 0.00 43.02 39.03 1ba9 s PHE 64 CO 0.53 -3.89 -0.04 -0.80 -1.46 0.00 0.00 175.22 169.56 1ba9 s ASN 65 N -3.19 0.63 0.00 6.13 -0.87 -1.26 -4.51 114.94 111.87 1ba9 s ASN 65 Ca 0.68 -0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.89 1ba9 s ASN 65 Cb -0.18 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.87 1ba9 s ASN 65 CO 0.60 0.01 0.00 -0.81 -2.57 0.00 0.00 177.10 174.32 1ba9 n PRO 66 N 3.43 0.00 -1.17 -0.60 -0.04 -1.26 -4.63 135.00 130.72 1ba9 n PRO 66 Ca -0.19 0.29 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1ba9 n PRO 66 Cb 0.55 -0.77 0.14 0.00 -0.04 0.00 0.00 33.50 33.38 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 -1.88 4.06 -3.40 1.53 4.32 -1.26 -4.97 117.00 115.40 1ba9 n LEU 67 Ca 0.00 -4.19 -0.17 0.00 -0.02 0.00 0.00 56.01 51.63 1ba9 n LEU 67 Cb 0.00 -0.52 0.09 0.00 -1.62 0.00 0.00 43.42 41.37 1ba9 n LEU 67 CO 0.00 1.62 0.11 -0.24 -1.22 0.00 0.00 177.39 177.66 1ba9 n SER 68 N -0.97 -2.15 -4.96 -1.43 2.88 -1.26 -5.03 113.62 100.69 1ba9 n SER 68 Ca 0.33 -0.61 -0.23 0.00 -1.33 0.00 0.00 58.87 57.03 1ba9 n SER 68 Cb 0.87 -5.07 0.03 0.00 -0.75 0.00 0.00 64.21 59.29 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 -5.37 2.74 1.03 -1.46 0.52 -1.26 -5.12 118.95 110.03 1ba9 s ARG 69 Ca 0.02 -0.54 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 1ba9 s ARG 69 Cb -0.01 -2.46 0.21 0.00 0.52 0.00 0.00 34.95 33.22 1ba9 s ARG 69 CO 0.72 -0.61 1.20 0.15 0.02 0.00 0.00 175.30 176.79 1ba9 s LYS 70 N -4.76 0.11 0.73 3.54 1.02 -1.26 -4.78 119.74 114.34 1ba9 s LYS 70 Ca 0.54 -0.13 -0.12 0.00 0.02 0.00 0.00 55.97 56.28 1ba9 s LYS 70 Cb -0.10 -1.76 0.03 0.00 -0.52 0.00 0.00 37.83 35.48 1ba9 s LYS 70 CO 0.40 -2.81 1.09 -1.58 -0.92 0.00 0.00 175.35 171.53 1ba9 s HIS 71 N -3.44 2.64 -0.35 3.18 5.65 0.58 -2.32 115.29 121.22 1ba9 s HIS 71 Ca 0.70 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.56 1ba9 s HIS 71 Cb -0.08 -3.07 0.00 0.00 -1.18 0.00 0.00 32.58 28.25 1ba9 s HIS 71 CO 0.54 -1.71 0.00 0.41 -0.65 0.00 0.00 174.74 173.33 1ba9 n GLY 72 N -1.06 -0.85 3.55 1.59 0.00 -1.22 -4.18 105.19 103.02 1ba9 n GLY 72 Ca 0.09 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1ba9 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ba9 s GLY 73 N 0.00 2.28 0.40 -0.02 0.00 -1.23 -4.66 107.32 104.09 1ba9 s GLY 73 Ca 0.00 -2.16 0.07 0.00 0.00 0.00 0.00 44.72 42.62 1ba9 s GLY 73 CO 0.00 -2.01 2.04 -0.56 0.00 0.00 0.00 173.10 172.57 1ba9 h PRO 74 N 1.95 0.54 0.00 2.90 0.13 -1.89 0.01 132.00 135.65 1ba9 h PRO 74 Ca -0.42 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1ba9 h PRO 74 Cb 1.24 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1ba9 h PRO 74 CO 0.75 0.38 -0.47 -0.22 -0.23 0.00 0.00 178.00 178.21 1ba9 h LYS 75 N 0.55 0.00 -7.28 0.86 3.64 -1.94 -3.44 116.57 108.95 1ba9 h LYS 75 Ca 0.15 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 59.02 1ba9 h LYS 75 Cb -0.02 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1ba9 h LYS 75 CO -0.03 0.47 0.37 -0.51 -2.27 0.00 0.00 179.45 177.48 1ba9 s ASP 76 N -6.67 6.25 0.13 4.20 1.01 -0.01 -4.98 116.67 116.60 1ba9 s ASP 76 Ca -0.01 1.34 -0.12 0.00 0.71 0.00 0.00 52.55 54.47 1ba9 s ASP 76 Cb 0.12 -2.43 -0.07 0.00 1.01 0.00 0.00 42.92 41.55 1ba9 s ASP 76 CO 0.72 -0.81 1.43 -0.08 0.21 0.00 0.00 175.17 176.64 1ba9 h GLU 77 N -0.18 0.88 -5.70 8.23 4.81 -1.86 -3.43 114.58 117.33 1ba9 h GLU 77 Ca -0.45 -0.51 -0.62 0.00 -0.13 0.00 0.00 59.36 57.66 1ba9 h GLU 77 Cb 1.19 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1ba9 h GLU 77 CO 0.62 1.15 -0.33 -2.00 -0.73 0.00 0.00 179.01 177.72 1ba9 s GLU 78 N -4.26 3.92 0.00 1.92 2.12 -1.26 -5.03 118.70 116.11 1ba9 s GLU 78 Ca -0.11 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.35 1ba9 s GLU 78 Cb 0.10 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1ba9 s GLU 78 CO 0.88 0.53 0.00 2.89 -0.54 0.00 0.00 175.26 179.02 1ba9 n ARG 79 N 2.57 0.00 -1.62 4.30 -4.01 -0.98 -3.46 116.66 113.45 1ba9 n ARG 79 Ca -0.15 0.00 -0.29 0.00 -1.04 0.00 0.00 57.85 56.37 1ba9 n ARG 79 Cb 0.53 0.00 0.17 0.00 -3.04 0.00 0.00 32.46 30.12 1ba9 n ARG 79 CO 0.00 0.00 0.00 -1.01 -3.04 0.00 0.00 177.63 173.58 1ba9 s HIS 80 N -0.41 1.79 0.15 2.89 3.76 -1.22 -4.83 115.29 117.42 1ba9 s HIS 80 Ca 0.00 0.57 -0.17 0.00 -0.15 0.00 0.00 55.06 55.31 1ba9 s HIS 80 Cb 0.00 -3.68 0.03 0.00 1.11 0.00 0.00 32.58 30.05 1ba9 s HIS 80 CO 0.00 -2.73 1.74 -0.24 -0.85 0.00 0.00 174.74 172.66 1ba9 h VAL 81 N -1.74 0.88 -0.72 -0.90 3.04 -1.87 -2.07 116.25 112.87 1ba9 h VAL 81 Ca -0.47 -0.07 -0.28 0.00 -1.01 0.00 0.00 66.70 64.87 1ba9 h VAL 81 Cb 1.29 0.66 -0.17 0.00 -2.01 0.00 0.00 31.29 31.06 1ba9 h VAL 81 CO 0.48 0.04 0.36 0.61 -1.01 0.00 0.00 177.57 178.05 1ba9 n GLY 82 N -1.21 3.63 2.95 3.17 0.00 -1.26 -4.63 105.19 107.84 1ba9 n GLY 82 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.39 4.41 -1.95 1.61 9.92 -0.78 -2.94 116.55 126.43 1ba9 n ASP 83 Ca 0.41 -2.92 -0.13 0.00 -0.53 0.00 0.00 54.79 51.61 1ba9 n ASP 83 Cb 1.34 -1.63 -0.05 0.00 -0.64 0.00 0.00 41.12 40.14 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 5.97 5.83 0.00 0.64 4.77 -1.23 -3.48 117.00 129.51 1ba9 n LEU 84 Ca 0.48 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 1ba9 n LEU 84 Cb 0.40 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1ba9 n LEU 84 CO 0.84 1.41 0.00 0.61 -1.33 0.00 0.00 177.39 178.92 1ba9 n GLY 85 N 1.37 0.09 3.17 -0.72 0.00 -1.26 -4.58 105.19 103.26 1ba9 n GLY 85 Ca 0.30 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 1ba9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 86 N -0.45 0.29 0.32 1.61 2.20 -1.26 -1.34 114.94 116.31 1ba9 s ASN 86 Ca 0.00 -0.90 0.09 0.00 -0.94 0.00 0.00 52.86 51.11 1ba9 s ASN 86 Cb 0.00 0.29 -0.06 0.00 -2.00 0.00 0.00 41.25 39.48 1ba9 s ASN 86 CO 0.00 -0.70 -0.10 0.68 -2.94 0.00 0.00 177.10 174.04 1ba9 s VAL 87 N -3.93 2.14 -0.33 3.54 -7.23 0.35 -4.88 120.40 110.06 1ba9 s VAL 87 Ca 0.10 -2.21 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 1ba9 s VAL 87 Cb 0.06 -2.56 0.05 0.00 0.56 0.00 0.00 36.38 34.49 1ba9 s VAL 87 CO -0.07 -0.25 0.08 -0.89 -0.31 0.00 0.00 175.10 173.65 1ba9 s THR 88 N -2.68 3.51 0.38 5.32 2.01 -1.26 -0.50 115.64 122.41 1ba9 s THR 88 Ca 0.31 -1.26 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 1ba9 s THR 88 Cb 0.02 -3.02 -0.10 0.00 0.01 0.00 0.00 72.50 69.41 1ba9 s THR 88 CO 0.15 -0.18 0.97 0.00 -0.69 0.00 0.00 174.62 174.87 1ba9 s ALA 89 N 1.34 3.12 0.94 7.40 0.00 -1.17 -4.16 121.76 129.23 1ba9 s ALA 89 Ca -0.02 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 1ba9 s ALA 89 Cb -0.20 -3.19 0.16 0.00 0.00 0.00 0.00 23.12 19.89 1ba9 s ALA 89 CO 0.01 0.07 1.15 -0.51 0.00 0.00 0.00 175.76 176.49 1ba9 s ASP 90 N -1.81 3.26 0.63 0.00 1.01 0.63 -2.50 116.67 117.89 1ba9 s ASP 90 Ca 0.56 0.88 0.30 0.00 0.71 0.00 0.00 52.55 55.00 1ba9 s ASP 90 Cb -0.16 -1.38 1.64 0.00 1.01 0.00 0.00 42.92 44.04 1ba9 s ASP 90 CO 0.21 -2.70 1.97 0.07 0.21 0.00 0.00 175.17 174.92 1ba9 h LYS 91 N -1.60 0.00 -0.00 8.23 2.10 -1.96 0.21 116.57 123.55 1ba9 h LYS 91 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1ba9 h LYS 91 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1ba9 h LYS 91 CO 0.58 0.00 -0.25 -0.25 -2.00 0.00 0.00 179.45 177.52 1ba9 n ASP 92 N -3.25 0.67 -0.93 7.07 9.92 -1.26 -4.83 116.55 123.94 1ba9 n ASP 92 Ca 0.01 -0.55 -0.07 0.00 -0.53 0.00 0.00 54.79 53.65 1ba9 n ASP 92 Cb 0.43 0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ba9 n GLY 93 N 1.37 0.20 3.37 0.44 0.00 0.75 -4.57 105.19 106.74 1ba9 n GLY 93 Ca 0.11 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.53 3.92 -0.46 1.61 1.01 -1.25 -0.78 120.40 121.92 1ba9 s VAL 94 Ca 0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1ba9 s VAL 94 Cb -0.02 -2.90 0.09 0.00 0.00 0.00 0.00 36.38 33.55 1ba9 s VAL 94 CO 0.06 0.25 0.34 0.00 0.00 0.00 0.00 175.10 175.75 1ba9 s ALA 95 N 1.53 3.41 -0.29 5.51 0.00 -1.23 -0.27 121.76 130.42 1ba9 s ALA 95 Ca 0.05 -2.28 -0.26 0.00 0.00 0.00 0.00 51.96 49.46 1ba9 s ALA 95 Cb -0.16 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1ba9 s ALA 95 CO 0.01 -1.77 0.92 -0.51 0.00 0.00 0.00 175.76 174.41 1ba9 s ASP 96 N 2.52 6.83 0.07 0.00 1.01 -1.26 -1.04 116.67 124.80 1ba9 s ASP 96 Ca 0.04 0.93 0.00 0.00 0.71 0.00 0.00 52.55 54.23 1ba9 s ASP 96 Cb -0.25 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1ba9 s ASP 96 CO 0.02 -0.70 0.21 -0.69 0.21 0.00 0.00 175.17 174.23 1ba9 s VAL 97 N 3.20 5.37 -0.40 -1.27 1.01 0.39 -4.77 120.40 123.93 1ba9 s VAL 97 Ca 0.38 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1ba9 s VAL 97 Cb -0.14 -3.63 0.23 0.00 0.00 0.00 0.00 36.38 32.84 1ba9 s VAL 97 CO 0.12 0.13 1.02 -1.54 0.00 0.00 0.00 175.10 174.83 1ba9 n SER 98 N 0.24 -2.07 -4.29 3.32 3.41 -1.21 -1.79 113.62 111.23 1ba9 n SER 98 Ca -0.05 -1.92 -0.16 0.00 -0.26 0.00 0.00 58.87 56.49 1ba9 n SER 98 Cb 0.51 1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 65.47 1ba9 n SER 98 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1ba9 s ILE 99 N 0.71 0.45 0.00 -1.33 2.07 0.12 -5.01 121.20 118.21 1ba9 s ILE 99 Ca 0.27 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.52 1ba9 s ILE 99 Cb 0.13 -2.61 -0.01 0.00 0.13 0.00 0.00 42.46 40.10 1ba9 s ILE 99 CO -0.11 0.00 -0.05 -1.61 -1.91 0.00 0.00 174.94 171.26 1ba9 s GLU 100 N -4.06 0.43 0.12 3.50 2.02 -1.26 -0.06 118.70 119.39 1ba9 s GLU 100 Ca 0.38 -0.28 0.04 0.00 0.02 0.00 0.00 54.97 55.13 1ba9 s GLU 100 Cb 0.08 -0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 1ba9 s GLU 100 CO 0.13 0.10 -0.09 -0.51 0.02 0.00 0.00 175.26 174.91 1ba9 s ASP 101 N -0.37 1.56 0.00 -0.19 1.11 -0.21 -4.97 116.67 113.61 1ba9 s ASP 101 Ca -0.00 -0.97 0.10 0.00 0.18 0.00 0.00 52.55 51.86 1ba9 s ASP 101 Cb -0.03 0.02 -0.04 0.00 1.07 0.00 0.00 42.92 43.94 1ba9 s ASP 101 CO -0.00 -0.35 0.56 -1.20 1.18 0.00 0.00 175.17 175.36 1ba9 n SER 102 N -0.01 0.97 -0.04 0.27 7.64 -1.26 -0.26 113.62 120.93 1ba9 n SER 102 Ca -0.12 -0.99 -0.21 0.00 1.01 0.00 0.00 58.87 58.56 1ba9 n SER 102 Cb 0.60 0.64 -0.13 0.00 -1.01 0.00 0.00 64.21 64.31 1ba9 n SER 102 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1ba9 h VAL 103 N 0.77 0.91 -3.91 0.44 3.04 -1.96 -3.46 116.25 112.07 1ba9 h VAL 103 Ca 0.00 -2.30 -0.49 0.00 -1.01 0.00 0.00 66.70 62.91 1ba9 h VAL 103 Cb 0.31 2.49 0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1ba9 h VAL 103 CO 0.00 0.60 0.42 0.27 -1.01 0.00 0.00 177.57 177.84 1ba9 s ILE 104 N -2.44 3.74 0.32 3.17 -4.36 -1.26 -4.86 121.20 115.50 1ba9 s ILE 104 Ca -0.24 1.44 0.03 0.00 -0.26 0.00 0.00 60.65 61.62 1ba9 s ILE 104 Cb 0.05 -3.80 -0.04 0.00 1.25 0.00 0.00 42.46 39.93 1ba9 s ILE 104 CO 0.70 0.12 0.14 -0.44 0.24 0.00 0.00 174.94 175.70 1ba9 s SER 105 N -1.41 1.83 -0.19 4.36 0.01 0.02 -4.59 113.70 113.74 1ba9 s SER 105 Ca 0.53 -1.56 0.16 0.00 1.31 0.00 0.00 55.95 56.39 1ba9 s SER 105 Cb -0.24 0.36 0.76 0.00 0.21 0.00 0.00 66.02 67.11 1ba9 s SER 105 CO 0.30 -0.87 1.68 0.18 0.41 0.00 0.00 173.24 174.95 1ba9 n LEU 106 N -0.65 5.27 -3.54 2.44 7.99 -1.26 -1.07 117.00 126.17 1ba9 n LEU 106 Ca -0.00 -2.79 -0.08 0.00 -0.01 0.00 0.00 56.01 53.13 1ba9 n LEU 106 Cb 0.65 -0.64 -0.02 0.00 -0.11 0.00 0.00 43.42 43.30 1ba9 n LEU 106 CO 0.36 0.69 0.79 -0.94 -1.51 0.00 0.00 177.39 176.78 1ba9 s SER 107 N -0.94 -0.30 0.39 -1.43 1.04 -1.26 -4.87 113.70 106.33 1ba9 s SER 107 Ca 0.52 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1ba9 s SER 107 Cb 0.38 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1ba9 s SER 107 CO 0.18 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1ba9 n GLY 108 N -0.05 -1.72 0.36 7.32 0.00 -1.26 -2.65 105.19 107.19 1ba9 n GLY 108 Ca -0.06 -1.25 0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.31 0.79 0.00 1.61 5.19 -2.01 0.13 116.42 121.83 1ba9 h ASP 109 Ca 0.01 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1ba9 h ASP 109 Cb 0.30 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1ba9 h ASP 109 CO 0.00 0.37 0.00 1.41 -3.12 0.00 0.00 179.24 177.90 1ba9 n HIS 110 N -4.65 0.00 -1.63 4.55 8.25 -1.26 -4.80 115.22 115.68 1ba9 n HIS 110 Ca 0.20 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.23 1ba9 n HIS 110 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.60 3.72 0.19 0.41 2.88 0.46 -0.80 113.62 119.88 1ba9 n SER 111 Ca 0.03 0.61 0.14 0.00 -1.33 0.00 0.00 58.87 58.32 1ba9 n SER 111 Cb 0.02 -1.52 0.50 0.00 -0.75 0.00 0.00 64.21 62.45 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 6.28 0.00 -2.28 2.46 -2.65 -1.41 -3.44 117.51 116.46 1ba9 h ILE 112 Ca -0.46 -0.49 -0.55 0.00 1.03 0.00 0.00 64.86 64.39 1ba9 h ILE 112 Cb 1.24 1.40 0.02 0.00 -2.05 0.00 0.00 36.82 37.44 1ba9 h ILE 112 CO 0.95 0.00 1.20 -0.38 0.03 0.00 0.00 178.15 179.95 1ba9 n ILE 113 N -2.69 0.71 -0.84 0.16 2.08 -1.26 -1.49 119.36 116.03 1ba9 n ILE 113 Ca 0.02 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.21 1ba9 n ILE 113 Cb 0.33 -2.20 0.00 0.00 -0.75 0.00 0.00 39.64 37.02 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 4.50 0.99 3.88 7.39 0.00 0.11 -5.01 105.19 117.06 1ba9 n GLY 114 Ca 0.21 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.99 2.72 -0.39 1.61 1.81 -0.55 -4.50 118.95 117.66 1ba9 s ARG 115 Ca 0.00 -1.33 -0.13 0.00 -1.72 0.00 0.00 55.73 52.56 1ba9 s ARG 115 Cb 0.00 -2.51 0.02 0.00 -0.45 0.00 0.00 34.95 32.02 1ba9 s ARG 115 CO 0.00 -0.01 0.24 0.99 -0.68 0.00 0.00 175.30 175.84 1ba9 s THR 116 N -2.34 4.87 -0.17 0.02 2.01 -1.17 -0.65 115.64 118.22 1ba9 s THR 116 Ca 0.44 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1ba9 s THR 116 Cb -0.06 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1ba9 s THR 116 CO 0.28 -0.25 0.25 -0.22 -0.69 0.00 0.00 174.62 173.98 1ba9 s LEU 117 N 1.61 4.23 0.01 4.42 0.20 0.95 0.03 118.68 130.13 1ba9 s LEU 117 Ca 0.03 0.43 -0.00 0.00 0.69 0.00 0.00 54.13 55.28 1ba9 s LEU 117 Cb -0.19 -2.29 -0.01 0.00 -0.43 0.00 0.00 46.19 43.27 1ba9 s LEU 117 CO 0.08 0.12 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.57 1ba9 s VAL 118 N 0.44 0.06 0.16 1.68 1.01 -0.08 -0.09 120.40 123.58 1ba9 s VAL 118 Ca 0.14 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1ba9 s VAL 118 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1ba9 s VAL 118 CO 0.02 -0.26 -0.05 0.54 0.00 0.00 0.00 175.10 175.35 1ba9 s VAL 119 N -0.78 3.47 0.25 2.92 0.11 -0.36 -1.34 120.40 124.68 1ba9 s VAL 119 Ca -0.09 -1.48 0.10 0.00 -2.93 0.00 0.00 61.98 57.58 1ba9 s VAL 119 Cb -0.05 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 1ba9 s VAL 119 CO -0.00 -0.07 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.64 1ba9 s HIS 120 N -1.63 2.62 0.05 1.54 3.76 0.09 -1.76 115.29 119.96 1ba9 s HIS 120 Ca 0.25 -0.24 -0.35 0.00 -0.15 0.00 0.00 55.06 54.58 1ba9 s HIS 120 Cb -0.09 -1.18 -0.19 0.00 1.11 0.00 0.00 32.58 32.22 1ba9 s HIS 120 CO 0.16 0.62 1.50 1.49 -0.85 0.00 0.00 174.74 177.66 1ba9 h GLU 121 N 2.14 -1.14 -6.86 1.40 4.81 -0.77 -3.36 114.58 110.80 1ba9 h GLU 121 Ca -0.44 0.08 -0.48 0.00 -0.13 0.00 0.00 59.36 58.39 1ba9 h GLU 121 Cb 1.24 0.26 0.05 0.00 0.63 0.00 0.00 28.75 30.94 1ba9 h GLU 121 CO 0.59 -0.76 -0.01 0.15 -0.73 0.00 0.00 179.01 178.26 1ba9 s LYS 122 N -5.76 2.02 0.71 1.92 -0.14 -0.09 -4.75 119.74 113.64 1ba9 s LYS 122 Ca -0.18 -1.39 -0.14 0.00 -1.36 0.00 0.00 55.97 52.89 1ba9 s LYS 122 Cb 0.02 -2.50 0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1ba9 s LYS 122 CO 0.57 -1.12 1.15 0.00 -0.76 0.00 0.00 175.35 175.19 1ba9 s ALA 123 N -2.88 2.27 -0.28 5.17 0.00 -1.25 -0.90 121.76 123.89 1ba9 s ALA 123 Ca 0.64 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 1ba9 s ALA 123 Cb -0.06 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.69 1ba9 s ALA 123 CO 0.41 -1.61 0.93 0.34 0.00 0.00 0.00 175.76 175.83 1ba9 s ASP 124 N -2.44 6.87 0.00 0.00 -1.08 -1.26 -3.87 116.67 114.88 1ba9 s ASP 124 Ca 0.69 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 1ba9 s ASP 124 Cb -0.23 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1ba9 s ASP 124 CO 0.45 -0.68 0.83 -0.90 0.52 0.00 0.00 175.17 175.39 1ba9 n ASP 125 N 6.37 0.07 -4.25 -0.34 5.75 0.25 -4.83 116.55 119.57 1ba9 n ASP 125 Ca 0.08 -1.73 -0.35 0.00 -0.01 0.00 0.00 54.79 52.77 1ba9 n ASP 125 Cb 0.47 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.49 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ba9 n LEU 126 N -0.45 -1.57 0.00 -2.12 4.77 -1.26 -1.73 117.00 114.64 1ba9 n LEU 126 Ca 0.00 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1ba9 n LEU 126 Cb 0.02 -1.98 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 1ba9 n LEU 126 CO 0.00 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1ba9 n GLY 127 N -1.53 2.59 0.11 -0.72 0.00 -1.26 -4.37 105.19 100.01 1ba9 n GLY 127 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ba9 n LYS 128 N -2.00 0.18 -0.29 1.61 5.02 -0.70 -2.58 118.16 119.39 1ba9 n LYS 128 Ca 0.00 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.77 1ba9 n LYS 128 Cb 0.00 -1.82 0.28 0.00 -0.02 0.00 0.00 35.03 33.47 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ba9 h GLY 129 N 2.65 1.40 -0.19 0.72 0.00 -1.91 -3.47 103.07 102.29 1ba9 h GLY 129 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1ba9 h GLY 129 CO 0.00 -0.27 0.00 0.61 0.00 0.00 0.00 176.54 176.88 1ba9 n GLY 130 N -1.35 0.58 3.51 4.60 0.00 -1.07 -5.07 105.19 106.40 1ba9 n GLY 130 Ca 0.20 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 131 N -1.36 -0.48 0.32 1.61 6.03 -1.26 -5.03 114.94 114.77 1ba9 s ASN 131 Ca 0.00 -0.16 0.09 0.00 -1.03 0.00 0.00 52.86 51.77 1ba9 s ASN 131 Cb 0.00 0.62 0.95 0.00 -3.03 0.00 0.00 41.25 39.79 1ba9 s ASN 131 CO 0.00 -1.05 1.64 -0.33 -2.03 0.00 0.00 177.10 175.33 1ba9 h GLU 132 N 2.02 0.21 0.00 3.55 3.07 -1.97 0.18 114.58 121.65 1ba9 h GLU 132 Ca -0.31 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1ba9 h GLU 132 Cb 1.29 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1ba9 h GLU 132 CO 0.35 0.14 0.00 0.94 -1.40 0.00 0.00 179.01 179.04 1ba9 n GLN 133 N -5.18 0.00 -0.34 2.33 0.00 -1.26 0.09 117.38 113.03 1ba9 n GLN 133 Ca 0.28 0.41 -0.05 0.00 -0.00 0.00 0.00 57.00 57.64 1ba9 n GLN 133 Cb 0.89 -1.26 -0.01 0.00 0.00 0.00 0.00 30.24 29.86 1ba9 n GLN 133 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ba9 h SER 134 N 0.00 -1.59 0.00 1.69 4.64 -1.81 0.52 113.55 117.01 1ba9 h SER 134 Ca 0.00 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1ba9 h SER 134 Cb 0.00 0.77 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1ba9 h SER 134 CO 0.00 -0.29 0.00 0.35 -0.87 0.00 0.00 176.83 176.02 1ba9 n THR 135 N -5.41 0.00 -0.05 2.95 -2.24 0.60 -0.30 114.28 109.84 1ba9 n THR 135 Ca 0.06 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1ba9 n THR 135 Cb 0.36 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.90 1.29 0.00 -0.78 4.81 0.11 -0.31 118.16 122.39 1ba9 n LYS 136 Ca 0.11 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1ba9 n LYS 136 Cb 0.05 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 33.89 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 -2.59 0.00 -0.00 3.15 5.66 0.17 -4.36 114.28 116.31 1ba9 n THR 137 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1ba9 n THR 137 Cb 0.73 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.50 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 1.35 1.00 2.38 1.09 0.00 0.59 -4.27 105.19 107.32 1ba9 n GLY 138 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ba9 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ba9 n ASN 139 N 0.00 -4.84 0.12 1.61 5.15 -1.26 -0.58 115.26 115.46 1ba9 n ASN 139 Ca 0.00 0.23 0.12 0.00 -0.60 0.00 0.00 54.58 54.33 1ba9 n ASN 139 Cb 0.00 -4.18 0.24 0.00 -0.53 0.00 0.00 39.78 35.31 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 0.71 0.84 0.00 5.20 0.00 -1.74 -3.47 119.26 120.80 1ba9 h ALA 140 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ba9 h ALA 140 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ba9 h ALA 140 CO 0.50 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1ba9 n GLY 141 N 1.25 -1.41 3.58 0.00 0.00 -1.26 -0.91 105.19 106.43 1ba9 n GLY 141 Ca 0.04 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 1ba9 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ba9 n SER 142 N 0.08 0.21 -4.60 1.61 7.64 -1.26 -4.52 113.62 112.78 1ba9 n SER 142 Ca 0.00 0.72 -0.42 0.00 1.01 0.00 0.00 58.87 60.18 1ba9 n SER 142 Cb 0.00 -1.35 -0.05 0.00 -1.01 0.00 0.00 64.21 61.80 1ba9 n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ba9 s ARG 143 N -2.86 3.84 0.27 1.43 0.52 -1.26 -0.39 118.95 120.49 1ba9 s ARG 143 Ca 0.73 0.40 0.02 0.00 -0.52 0.00 0.00 55.73 56.37 1ba9 s ARG 143 Cb -0.39 -3.77 0.38 0.00 0.52 0.00 0.00 34.95 31.69 1ba9 s ARG 143 CO 0.50 -0.76 1.69 -0.07 0.02 0.00 0.00 175.30 176.68 1ba9 h LEU 144 N 9.57 0.46 -7.12 2.53 -0.00 -1.59 -3.47 115.31 115.69 1ba9 h LEU 144 Ca -0.25 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.42 1ba9 h LEU 144 Cb 1.10 -0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 41.49 1ba9 h LEU 144 CO 0.89 0.75 0.11 0.00 -0.00 0.00 0.00 178.44 180.19 1ba9 s ALA 145 N -4.38 -1.43 0.03 1.53 0.00 -1.23 -4.14 121.76 112.14 1ba9 s ALA 145 Ca -0.06 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1ba9 s ALA 145 Cb 0.13 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1ba9 s ALA 145 CO 0.79 -0.62 -0.08 0.00 0.00 0.00 0.00 175.76 175.86 1ba9 s GLY 147 N -1.01 0.52 -0.01 0.00 0.00 0.87 -0.46 107.32 107.23 1ba9 s GLY 147 Ca -0.04 -0.86 0.08 0.00 0.00 0.00 0.00 44.72 43.90 1ba9 s GLY 147 CO 0.00 -0.60 -0.26 0.54 0.00 0.00 0.00 173.10 172.78 1ba9 s VAL 148 N -3.99 2.07 -0.22 1.40 0.11 -1.26 -0.03 120.40 118.48 1ba9 s VAL 148 Ca 0.22 -1.17 -0.16 0.00 -2.93 0.00 0.00 61.98 57.93 1ba9 s VAL 148 Cb -0.01 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 1ba9 s VAL 148 CO 0.09 0.53 0.43 -0.63 -3.33 0.00 0.00 175.10 172.20 1ba9 s ILE 149 N -0.65 5.16 0.34 7.04 1.01 0.18 -3.89 121.20 130.38 1ba9 s ILE 149 Ca 0.10 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.54 1ba9 s ILE 149 Cb -0.10 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1ba9 s ILE 149 CO -0.00 0.20 0.37 -0.83 0.00 0.00 0.00 174.94 174.68 1ba9 s GLY 150 N 1.21 1.92 0.31 6.18 0.00 0.05 -0.71 107.32 116.28 1ba9 s GLY 150 Ca 0.20 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 42.82 1ba9 s GLY 150 CO 0.09 -1.24 1.20 -0.42 0.00 0.00 0.00 173.10 172.72 1ba9 s ILE 151 N -3.25 3.11 -0.89 0.90 1.01 -1.26 -0.49 121.20 120.33 1ba9 s ILE 151 Ca 0.36 1.11 -0.25 0.00 0.00 0.00 0.00 60.65 61.88 1ba9 s ILE 151 Cb 0.01 -3.71 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1ba9 s ILE 151 CO 0.24 0.27 1.36 0.00 0.00 0.00 0.00 174.94 176.81 1ba9 s ALA 152 N -1.15 2.74 0.00 9.38 0.00 0.24 -4.68 121.76 128.29 1ba9 s ALA 152 Ca 0.47 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1ba9 s ALA 152 Cb -0.36 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.37 1ba9 s ALA 152 CO 0.47 -3.45 0.00 0.94 0.00 0.00 0.00 175.76 173.72