#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 2.49 -0.27 0.00 -1.32 -1.26 -5.06 115.64 110.22 1ba9 s THR 2 Ca 0.00 0.21 -0.07 0.00 -1.21 0.00 0.00 61.69 60.61 1ba9 s THR 2 Cb 0.00 -2.62 0.13 0.00 -1.51 0.00 0.00 72.50 68.50 1ba9 s THR 2 CO 0.00 -0.16 0.57 -0.54 -2.21 0.00 0.00 174.62 172.27 1ba9 s LYS 3 N -4.24 0.50 0.17 7.08 1.02 -1.26 -4.71 119.74 118.29 1ba9 s LYS 3 Ca 0.70 1.22 0.10 0.00 0.02 0.00 0.00 55.97 58.01 1ba9 s LYS 3 Cb -0.25 0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 1ba9 s LYS 3 CO 0.49 -0.31 -0.16 0.00 -0.92 0.00 0.00 175.35 174.46 1ba9 s ALA 4 N 2.80 2.77 0.04 5.17 0.00 -0.24 -1.07 121.76 131.23 1ba9 s ALA 4 Ca 0.01 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1ba9 s ALA 4 Cb -0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1ba9 s ALA 4 CO -0.17 0.49 -0.07 0.54 0.00 0.00 0.00 175.76 176.55 1ba9 s VAL 5 N -1.56 0.45 -0.13 0.00 0.11 0.51 -0.45 120.40 119.34 1ba9 s VAL 5 Ca 0.22 -1.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1ba9 s VAL 5 Cb -0.09 -0.65 0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1ba9 s VAL 5 CO 0.12 -0.46 0.01 0.00 -3.33 0.00 0.00 175.10 171.44 1ba9 s ALA 6 N -1.64 0.87 -0.40 1.54 0.00 0.23 -0.57 121.76 121.80 1ba9 s ALA 6 Ca -0.09 -0.40 -0.25 0.00 0.00 0.00 0.00 51.96 51.22 1ba9 s ALA 6 Cb -0.08 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.11 1ba9 s ALA 6 CO -0.01 -0.76 0.88 0.14 0.00 0.00 0.00 175.76 176.01 1ba9 s VAL 7 N 1.91 4.59 0.33 0.00 -7.23 -1.25 -0.50 120.40 118.25 1ba9 s VAL 7 Ca 0.02 0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 60.89 1ba9 s VAL 7 Cb -0.14 -4.33 -0.10 0.00 0.56 0.00 0.00 36.38 32.37 1ba9 s VAL 7 CO -0.07 -0.60 0.99 -0.76 -0.31 0.00 0.00 175.10 174.35 1ba9 s LEU 8 N 3.45 4.34 -0.19 1.32 1.02 0.12 -3.78 118.68 124.96 1ba9 s LEU 8 Ca 0.36 1.95 -0.14 0.00 0.02 0.00 0.00 54.13 56.32 1ba9 s LEU 8 Cb -0.12 -3.98 0.06 0.00 0.02 0.00 0.00 46.19 42.17 1ba9 s LEU 8 CO 0.21 -0.17 0.50 -0.54 0.02 0.00 0.00 176.35 176.36 1ba9 s LYS 9 N -2.02 0.53 0.38 1.70 -0.14 0.41 -0.66 119.74 119.93 1ba9 s LYS 9 Ca 0.51 0.81 0.01 0.00 -1.36 0.00 0.00 55.97 55.94 1ba9 s LYS 9 Cb -0.22 0.15 0.01 0.00 -1.68 0.00 0.00 37.83 36.09 1ba9 s LYS 9 CO 0.28 -0.12 0.06 0.41 -0.76 0.00 0.00 175.35 175.22 1ba9 n GLY 10 N 3.59 3.54 0.31 -3.33 0.00 0.08 -0.82 105.19 108.56 1ba9 n GLY 10 Ca -0.18 -2.32 0.14 0.00 0.00 0.00 0.00 46.02 43.66 1ba9 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ba9 h ASP 11 N 0.82 0.21 -1.02 1.61 5.19 -1.87 -3.43 116.42 117.93 1ba9 h ASP 11 Ca -0.30 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1ba9 h ASP 11 Cb 0.95 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1ba9 h ASP 11 CO 0.50 -0.08 0.00 0.61 -3.12 0.00 0.00 179.24 177.15 1ba9 n GLY 12 N -1.35 0.17 0.00 2.75 0.00 -1.26 -4.95 105.19 100.55 1ba9 n GLY 12 Ca 0.23 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.15 0.12 -1.52 1.61 -0.04 -1.26 -4.81 135.00 128.95 1ba9 n PRO 13 Ca 0.00 0.04 -0.60 0.00 -0.04 0.00 0.00 63.50 62.91 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 -1.43 0.11 -4.15 0.52 0.31 -1.26 -4.80 118.33 107.63 1ba9 n VAL 14 Ca 0.08 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 1ba9 n VAL 14 Cb 0.28 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.24 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ba9 s GLN 15 N 4.71 1.26 0.19 5.55 -2.07 -0.44 -0.74 119.66 128.11 1ba9 s GLN 15 Ca 1.09 -1.53 -0.17 0.00 -1.82 0.00 0.00 55.36 52.93 1ba9 s GLN 15 Cb -1.28 0.31 0.03 0.00 -1.09 0.00 0.00 33.01 30.98 1ba9 s GLN 15 CO 0.67 -0.44 0.50 0.20 -1.32 0.00 0.00 175.29 174.91 1ba9 s GLY 16 N -3.12 -0.08 -0.27 2.60 0.00 0.16 0.58 107.32 107.20 1ba9 s GLY 16 Ca 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.82 1ba9 s GLY 16 CO 0.11 -0.29 -0.06 -0.26 0.00 0.00 0.00 173.10 172.60 1ba9 s ILE 17 N -3.87 2.71 0.02 0.90 -4.36 0.02 0.12 121.20 116.74 1ba9 s ILE 17 Ca 0.09 -1.31 -0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1ba9 s ILE 17 Cb -0.01 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.18 1ba9 s ILE 17 CO -0.03 0.04 0.15 -0.63 0.24 0.00 0.00 174.94 174.71 1ba9 s ILE 18 N 1.24 5.15 0.06 8.37 -1.09 0.35 -0.70 121.20 134.57 1ba9 s ILE 18 Ca -0.04 -0.35 0.07 0.00 -2.23 0.00 0.00 60.65 58.10 1ba9 s ILE 18 Cb -0.18 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1ba9 s ILE 18 CO -0.04 0.26 -0.19 0.20 -1.23 0.00 0.00 174.94 173.95 1ba9 s ASN 19 N -2.09 2.24 -0.08 3.58 0.02 0.63 -0.60 114.94 118.65 1ba9 s ASN 19 Ca 0.28 -0.54 0.02 0.00 -1.02 0.00 0.00 52.86 51.60 1ba9 s ASN 19 Cb -0.13 -0.16 0.01 0.00 0.02 0.00 0.00 41.25 41.00 1ba9 s ASN 19 CO 0.20 0.10 -0.13 -0.36 0.02 0.00 0.00 177.10 176.93 1ba9 s PHE 20 N -0.90 1.61 0.02 2.20 0.40 0.40 -1.57 117.98 120.14 1ba9 s PHE 20 Ca 0.05 -0.65 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1ba9 s PHE 20 Cb -0.09 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1ba9 s PHE 20 CO 0.02 -0.34 -0.04 -2.00 0.70 0.00 0.00 175.22 173.57 1ba9 s GLU 21 N 0.79 0.31 -0.21 0.44 2.12 -0.81 -1.08 118.70 120.25 1ba9 s GLU 21 Ca -0.12 -0.49 -0.16 0.00 0.36 0.00 0.00 54.97 54.56 1ba9 s GLU 21 Cb -0.16 -0.05 -0.08 0.00 0.26 0.00 0.00 34.13 34.10 1ba9 s GLU 21 CO 0.02 -0.00 -0.33 0.94 -0.54 0.00 0.00 175.26 175.35 1ba9 n GLN 22 N 1.98 0.55 0.00 4.30 -0.06 -1.26 -0.51 117.38 122.37 1ba9 n GLN 22 Ca -0.20 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1ba9 n GLN 22 Cb 0.56 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.27 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 -4.40 0.00 -3.55 3.69 0.00 -1.26 -4.66 118.16 107.98 1ba9 n LYS 23 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.64 1ba9 n LYS 23 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.55 1ba9 n LYS 23 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1ba9 s GLU 24 N 0.00 3.35 0.51 1.64 0.41 -1.26 -4.99 118.70 118.36 1ba9 s GLU 24 Ca 0.00 -0.74 0.34 0.00 -0.41 0.00 0.00 54.97 54.16 1ba9 s GLU 24 Cb 0.00 -3.78 1.48 0.00 -1.78 0.00 0.00 34.13 30.05 1ba9 s GLU 24 CO 0.00 -0.50 1.78 0.77 -0.49 0.00 0.00 175.26 176.82 1ba9 h SER 25 N 8.48 0.09 -0.18 -0.19 0.02 -2.00 0.48 113.55 120.25 1ba9 h SER 25 Ca -0.31 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 1ba9 h SER 25 Cb 1.15 0.01 -0.18 0.00 0.14 0.00 0.00 62.40 63.52 1ba9 h SER 25 CO 0.64 0.01 -0.70 -3.20 -1.14 0.00 0.00 176.83 172.44 1ba9 n ASN 26 N -4.27 2.22 -4.82 3.07 2.85 -1.26 -5.05 115.26 108.00 1ba9 n ASN 26 Ca 0.27 -3.43 -0.26 0.00 -0.11 0.00 0.00 54.58 51.05 1ba9 n ASN 26 Cb 1.24 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.81 1ba9 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ba9 n GLY 27 N -0.72 2.72 3.77 8.20 0.00 0.16 -5.12 105.19 114.20 1ba9 n GLY 27 Ca 0.21 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 -4.26 4.54 0.29 1.61 0.04 -1.26 -4.94 135.00 131.02 1ba9 s PRO 28 Ca 0.32 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 1ba9 s PRO 28 Cb -0.03 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 1ba9 s PRO 28 CO 0.20 0.21 1.00 0.08 0.04 0.00 0.00 177.00 178.53 1ba9 s VAL 29 N -1.50 3.89 -0.13 -0.36 1.01 0.57 -4.82 120.40 119.05 1ba9 s VAL 29 Ca 0.50 1.77 -0.25 0.00 0.00 0.00 0.00 61.98 64.00 1ba9 s VAL 29 Cb -0.22 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1ba9 s VAL 29 CO 0.28 0.32 0.78 -0.54 0.00 0.00 0.00 175.10 175.95 1ba9 s LYS 30 N -1.60 4.35 -0.17 2.72 -0.14 0.33 -0.57 119.74 124.66 1ba9 s LYS 30 Ca 0.46 0.96 -0.04 0.00 -1.36 0.00 0.00 55.97 55.99 1ba9 s LYS 30 Cb -0.26 -3.53 -0.03 0.00 -1.68 0.00 0.00 37.83 32.34 1ba9 s LYS 30 CO 0.32 -0.19 -0.03 0.08 -0.76 0.00 0.00 175.35 174.78 1ba9 s VAL 31 N 1.66 3.88 0.22 3.17 1.01 0.50 -1.93 120.40 128.91 1ba9 s VAL 31 Ca 0.38 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 1ba9 s VAL 31 Cb -0.17 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1ba9 s VAL 31 CO 0.15 0.48 0.55 -1.66 0.00 0.00 0.00 175.10 174.62 1ba9 s TRP 32 N 0.55 -0.02 -1.41 5.22 -2.14 -0.61 -0.65 118.94 119.87 1ba9 s TRP 32 Ca -0.03 -0.35 0.00 0.00 2.66 0.00 0.00 56.10 58.39 1ba9 s TRP 32 Cb -0.14 0.41 0.00 0.00 -3.10 0.00 0.00 33.47 30.64 1ba9 s TRP 32 CO 0.03 -1.00 0.00 0.41 -2.66 0.00 0.00 176.95 173.73 1ba9 n GLY 33 N -0.37 -1.29 3.52 3.67 0.00 -0.45 -0.27 105.19 110.00 1ba9 n GLY 33 Ca -0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.88 -0.80 0.59 1.61 1.04 0.12 -0.54 113.70 111.85 1ba9 s SER 34 Ca 0.00 1.31 0.01 0.00 0.48 0.00 0.00 55.95 57.76 1ba9 s SER 34 Cb 0.00 1.20 0.06 0.00 0.10 0.00 0.00 66.02 67.38 1ba9 s SER 34 CO 0.00 -0.22 0.83 -0.51 0.98 0.00 0.00 173.24 174.31 1ba9 s ILE 35 N 1.45 2.51 -0.35 -1.02 2.07 -1.03 -0.80 121.20 124.03 1ba9 s ILE 35 Ca -0.09 -0.66 0.05 0.00 -1.41 0.00 0.00 60.65 58.54 1ba9 s ILE 35 Cb -0.06 -2.85 0.17 0.00 0.13 0.00 0.00 42.46 39.86 1ba9 s ILE 35 CO -0.16 0.00 0.50 -0.54 -1.91 0.00 0.00 174.94 172.83 1ba9 s LYS 36 N -4.85 0.63 0.00 3.50 1.02 0.20 -4.01 119.74 116.23 1ba9 s LYS 36 Ca 0.60 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1ba9 s LYS 36 Cb -0.09 -0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.03 1ba9 s LYS 36 CO 0.40 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 1ba9 n GLY 37 N 4.77 -0.17 3.45 -3.33 0.00 -0.30 -1.33 105.19 108.27 1ba9 n GLY 37 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1ba9 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ba9 n LEU 38 N 0.00 0.00 -4.72 0.99 7.99 -0.95 -4.71 117.00 115.61 1ba9 n LEU 38 Ca 0.00 -1.15 -0.25 0.00 -0.01 0.00 0.00 56.01 54.60 1ba9 n LEU 38 Cb 0.00 -0.98 -0.07 0.00 -0.11 0.00 0.00 43.42 42.26 1ba9 n LEU 38 CO 0.00 -2.10 -0.28 0.42 -1.51 0.00 0.00 177.39 173.92 1ba9 s THR 39 N -2.99 3.95 0.38 -5.08 -4.23 -1.26 -4.05 115.64 102.36 1ba9 s THR 39 Ca 0.70 -1.45 -0.24 0.00 -1.18 0.00 0.00 61.69 59.52 1ba9 s THR 39 Cb -0.07 -3.05 -0.13 0.00 1.34 0.00 0.00 72.50 70.60 1ba9 s THR 39 CO 0.53 -0.20 0.66 -1.84 -0.54 0.00 0.00 174.62 173.22 1ba9 n GLU 40 N -0.51 0.70 0.00 3.99 0.28 -1.21 -4.59 120.64 119.30 1ba9 n GLU 40 Ca -0.08 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1ba9 n GLU 40 Cb 0.56 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.88 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 1.67 -1.33 3.76 -1.84 0.00 -0.66 -4.87 105.19 101.92 1ba9 n GLY 41 Ca 0.12 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 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 4.57 -0.08 0.99 1.02 -1.26 -0.58 118.68 123.34 1ba9 s LEU 42 Ca 0.00 1.68 0.01 0.00 0.02 0.00 0.00 54.13 55.84 1ba9 s LEU 42 Cb 0.00 -3.37 0.02 0.00 0.02 0.00 0.00 46.19 42.86 1ba9 s LEU 42 CO 0.00 0.14 -0.07 -1.00 0.02 0.00 0.00 176.35 175.44 1ba9 s HIS 43 N -0.85 1.17 0.36 0.29 3.76 -1.03 -2.29 115.29 116.71 1ba9 s HIS 43 Ca 0.38 -0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 54.55 1ba9 s HIS 43 Cb -0.23 -0.98 -0.12 0.00 1.11 0.00 0.00 32.58 32.36 1ba9 s HIS 43 CO 0.27 -0.34 1.37 0.41 -0.85 0.00 0.00 174.74 175.60 1ba9 n GLY 44 N 4.43 0.83 2.76 -2.22 0.00 0.09 -0.73 105.19 110.34 1ba9 n GLY 44 Ca -0.18 0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.11 0.91 0.08 1.61 0.40 -0.01 -0.85 117.98 119.02 1ba9 s PHE 45 Ca 0.55 -0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 56.21 1ba9 s PHE 45 Cb -0.53 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.05 1ba9 s PHE 45 CO 0.63 -0.49 0.20 -1.01 0.70 0.00 0.00 175.22 175.25 1ba9 s HIS 46 N 1.89 0.11 -0.36 0.36 3.76 -0.77 -2.15 115.29 118.13 1ba9 s HIS 46 Ca 0.02 -0.50 -0.21 0.00 -0.15 0.00 0.00 55.06 54.22 1ba9 s HIS 46 Cb -0.15 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.51 1ba9 s HIS 46 CO -0.07 -0.53 0.66 0.08 -0.85 0.00 0.00 174.74 174.03 1ba9 s VAL 47 N -3.59 4.86 0.45 -0.90 1.01 0.13 -0.65 120.40 121.71 1ba9 s VAL 47 Ca 0.03 0.59 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 1ba9 s VAL 47 Cb 0.04 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1ba9 s VAL 47 CO -0.10 -0.35 0.84 -1.00 0.00 0.00 0.00 175.10 174.50 1ba9 s HIS 48 N 2.77 3.48 -1.07 5.22 3.76 0.75 -2.89 115.29 127.31 1ba9 s HIS 48 Ca 0.25 1.15 -0.19 0.00 -0.15 0.00 0.00 55.06 56.13 1ba9 s HIS 48 Cb -0.14 -2.54 -0.07 0.00 1.11 0.00 0.00 32.58 30.94 1ba9 s HIS 48 CO 0.15 -0.22 2.04 -1.91 -0.85 0.00 0.00 174.74 173.96 1ba9 n GLU 49 N -1.50 2.09 -4.02 1.40 2.13 -0.81 -3.70 120.64 116.23 1ba9 n GLU 49 Ca 0.04 -2.21 -0.14 0.00 0.66 0.00 0.00 57.16 55.51 1ba9 n GLU 49 Cb 0.54 -3.11 -0.02 0.00 0.27 0.00 0.00 31.44 29.12 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 6.74 0.80 0.00 5.31 -0.58 -1.26 -3.74 120.64 127.91 1ba9 n GLU 50 Ca 0.50 -2.78 0.00 0.00 -0.42 0.00 0.00 57.16 54.46 1ba9 n GLU 50 Cb 0.40 2.80 0.00 0.00 -0.57 0.00 0.00 31.44 34.07 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 -0.59 0.00 -0.49 3.49 0.28 -1.26 -1.88 120.64 120.19 1ba9 n GLU 51 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.07 1ba9 n GLU 51 Cb 0.61 0.00 0.30 0.00 1.43 0.00 0.00 31.44 33.78 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ba9 n ASP 52 N -1.92 3.99 -3.65 -1.84 9.92 -1.26 -4.27 116.55 117.52 1ba9 n ASP 52 Ca 0.00 -2.30 -0.22 0.00 -0.53 0.00 0.00 54.79 51.73 1ba9 n ASP 52 Cb 0.00 -0.51 0.04 0.00 -0.64 0.00 0.00 41.12 40.01 1ba9 n ASP 52 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ba9 n ASN 53 N 1.03 -2.52 -0.39 -2.24 4.05 -1.26 -4.82 115.26 109.10 1ba9 n ASN 53 Ca 0.22 -0.85 0.31 0.00 0.45 0.00 0.00 54.58 54.71 1ba9 n ASN 53 Cb 0.73 -4.06 0.60 0.00 1.23 0.00 0.00 39.78 38.28 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1ba9 h THR 54 N -1.78 0.30 0.00 -0.44 1.35 -1.98 0.20 112.91 110.56 1ba9 h THR 54 Ca -0.62 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1ba9 h THR 54 Cb 1.35 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1ba9 h THR 54 CO 0.54 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.84 1ba9 n ALA 55 N -2.52 1.17 0.00 6.62 0.00 -1.26 -4.83 120.51 119.69 1ba9 n ALA 55 Ca 0.32 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1ba9 n ALA 55 Cb 1.20 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.02 0.58 2.62 0.00 0.00 0.67 -4.43 105.19 103.61 1ba9 n GLY 56 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 n THR 58 N -2.38 1.47 0.00 0.00 -2.24 -1.26 -4.83 114.28 105.04 1ba9 n THR 58 Ca -0.04 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1ba9 n THR 58 Cb 0.39 -2.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 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 -4.51 0.00 0.00 3.42 7.64 -1.26 -4.82 113.62 114.09 1ba9 n SER 59 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1ba9 n SER 59 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ba9 n ALA 60 N 0.00 0.00 -1.91 -0.43 0.00 -1.26 -4.86 120.51 112.05 1ba9 n ALA 60 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ba9 n ALA 60 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ba9 s GLY 61 N -0.16 1.53 0.50 0.00 0.00 -1.25 -5.00 107.32 102.95 1ba9 s GLY 61 Ca 0.00 1.24 -0.08 0.00 0.00 0.00 0.00 44.72 45.87 1ba9 s GLY 61 CO 0.00 2.90 0.48 -1.55 0.00 0.00 0.00 173.10 174.94 1ba9 n PRO 62 N 5.54 -1.68 -1.66 2.90 -0.04 -1.26 -4.33 135.00 134.47 1ba9 n PRO 62 Ca 0.16 -0.76 -0.53 0.00 -0.04 0.00 0.00 63.50 62.32 1ba9 n PRO 62 Cb 0.40 -0.67 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 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 -3.38 2.09 -1.69 0.54 8.25 -1.26 -1.92 115.22 117.85 1ba9 n HIS 63 Ca 0.07 0.31 -0.43 0.00 -0.26 0.00 0.00 57.72 57.40 1ba9 n HIS 63 Cb 0.25 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 28.78 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 6.51 2.58 -3.13 4.41 -0.00 -1.14 -4.80 117.46 121.89 1ba9 n PHE 64 Ca 0.27 -0.09 -0.23 0.00 -0.00 0.00 0.00 57.45 57.41 1ba9 n PHE 64 Cb 0.20 -2.71 -0.04 0.00 -0.00 0.00 0.00 39.48 36.93 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 5.42 2.28 0.17 -2.13 4.05 -1.26 -3.17 115.26 120.61 1ba9 n ASN 65 Ca 0.18 -3.24 0.03 0.00 0.45 0.00 0.00 54.58 52.00 1ba9 n ASN 65 Cb 0.36 -0.61 0.24 0.00 1.23 0.00 0.00 39.78 41.00 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ba9 h PRO 66 N 3.23 0.00 0.00 1.20 0.13 -1.92 -2.86 132.00 131.78 1ba9 h PRO 66 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ba9 h PRO 66 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1ba9 h PRO 66 CO 0.64 0.47 -0.51 -0.07 -0.23 0.00 0.00 178.00 178.30 1ba9 h LEU 67 N 0.00 0.00 0.12 1.56 3.38 -1.92 -3.48 115.31 114.97 1ba9 h LEU 67 Ca -0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1ba9 h LEU 67 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1ba9 h LEU 67 CO 0.06 0.08 -0.05 -0.24 0.09 0.00 0.00 178.44 178.39 1ba9 n SER 68 N -2.19 -4.22 -4.83 -0.43 2.88 -1.08 -5.02 113.62 98.74 1ba9 n SER 68 Ca 0.04 0.06 -0.32 0.00 -1.33 0.00 0.00 58.87 57.31 1ba9 n SER 68 Cb 0.44 -1.93 -0.02 0.00 -0.75 0.00 0.00 64.21 61.95 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 -1.37 3.74 0.99 -1.46 0.52 -1.26 -5.06 118.95 115.04 1ba9 s ARG 69 Ca 0.00 1.06 -0.15 0.00 -0.52 0.00 0.00 55.73 56.12 1ba9 s ARG 69 Cb 0.00 -2.10 0.18 0.00 0.52 0.00 0.00 34.95 33.55 1ba9 s ARG 69 CO 0.00 -0.45 1.18 0.15 0.02 0.00 0.00 175.30 176.19 1ba9 s LYS 70 N -4.03 0.51 0.72 3.54 1.02 -1.26 -4.11 119.74 116.13 1ba9 s LYS 70 Ca 0.61 0.03 -0.16 0.00 0.02 0.00 0.00 55.97 56.48 1ba9 s LYS 70 Cb -0.12 -1.79 0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1ba9 s LYS 70 CO 0.32 -2.57 1.22 -1.58 -0.92 0.00 0.00 175.35 171.83 1ba9 s HIS 71 N -3.38 2.04 -0.25 3.18 5.65 -1.02 -0.34 115.29 121.17 1ba9 s HIS 71 Ca 0.68 1.58 0.00 0.00 0.25 0.00 0.00 55.06 57.57 1ba9 s HIS 71 Cb -0.11 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 1ba9 s HIS 71 CO 0.54 -2.69 0.00 0.41 -0.65 0.00 0.00 174.74 172.35 1ba9 n GLY 72 N 0.51 -0.72 3.39 1.59 0.00 -1.25 -3.86 105.19 104.84 1ba9 n GLY 72 Ca 0.14 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 1.74 0.33 -0.02 0.00 -1.12 -4.55 105.19 101.58 1ba9 n GLY 73 Ca 0.00 -1.48 0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 0.00 1.61 0.13 -1.86 0.23 132.00 132.11 1ba9 h PRO 74 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1ba9 h PRO 74 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1ba9 h PRO 74 CO 0.38 0.00 -0.34 1.57 -0.23 0.00 0.00 178.00 179.38 1ba9 h LYS 75 N 0.00 0.00 -6.19 0.86 2.10 -1.97 -3.46 116.57 107.91 1ba9 h LYS 75 Ca -0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 1ba9 h LYS 75 Cb 0.03 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.32 1ba9 h LYS 75 CO 0.00 0.34 -0.52 -0.51 -2.00 0.00 0.00 179.45 176.76 1ba9 s ASP 76 N -6.38 5.60 0.22 7.07 1.01 0.07 -5.03 116.67 119.22 1ba9 s ASP 76 Ca 0.05 -0.20 0.06 0.00 0.71 0.00 0.00 52.55 53.16 1ba9 s ASP 76 Cb 0.07 -1.45 0.17 0.00 1.01 0.00 0.00 42.92 42.72 1ba9 s ASP 76 CO 0.72 -0.03 1.50 -0.33 0.21 0.00 0.00 175.17 177.25 1ba9 h GLU 77 N 1.59 0.14 -7.19 8.23 5.08 -1.90 -3.42 114.58 117.11 1ba9 h GLU 77 Ca -0.49 -0.12 -0.49 0.00 -1.00 0.00 0.00 59.36 57.27 1ba9 h GLU 77 Cb 1.23 0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.54 1ba9 h GLU 77 CO 0.61 0.80 0.35 -1.21 -1.00 0.00 0.00 179.01 178.55 1ba9 s GLU 78 N -3.49 3.82 0.00 2.33 2.02 -1.26 -5.03 118.70 117.09 1ba9 s GLU 78 Ca -0.03 0.81 0.00 0.00 0.02 0.00 0.00 54.97 55.78 1ba9 s GLU 78 Cb 0.11 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.19 1ba9 s GLU 78 CO 0.80 -0.32 0.00 2.89 0.02 0.00 0.00 175.26 178.64 1ba9 n ARG 79 N -1.90 0.00 0.00 1.61 1.85 0.54 -2.77 116.66 115.99 1ba9 n ARG 79 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 1ba9 n ARG 79 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ba9 n HIS 80 N 0.00 0.00 0.08 2.89 8.25 -1.05 -4.63 115.22 120.77 1ba9 n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ba9 n HIS 80 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ba9 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ba9 n VAL 81 N -0.45 0.08 -0.77 1.59 0.31 -1.19 -4.27 118.33 113.62 1ba9 n VAL 81 Ca 0.00 0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.28 1ba9 n VAL 81 Cb 0.00 -0.40 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 1ba9 n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ba9 n GLY 82 N 1.72 2.91 3.11 2.92 0.00 -1.26 -4.71 105.19 109.88 1ba9 n GLY 82 Ca 0.00 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 83 N 1.77 4.81 -2.45 1.61 8.00 -1.26 -0.70 116.55 128.33 1ba9 n ASP 83 Ca 0.21 -3.17 -0.25 0.00 0.71 0.00 0.00 54.79 52.30 1ba9 n ASP 83 Cb 0.67 -1.14 -0.07 0.00 -0.02 0.00 0.00 41.12 40.56 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ba9 n LEU 84 N 2.17 6.34 0.00 0.64 4.77 -0.91 -4.27 117.00 125.73 1ba9 n LEU 84 Ca 0.24 -3.96 0.00 0.00 -0.03 0.00 0.00 56.01 52.26 1ba9 n LEU 84 Cb 0.37 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1ba9 n LEU 84 CO 0.44 1.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.85 1ba9 n GLY 85 N 1.16 0.51 3.17 -0.72 0.00 -1.26 -4.47 105.19 103.57 1ba9 n GLY 85 Ca 0.49 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.08 0.23 0.00 1.61 6.03 -1.26 -0.83 114.94 119.64 1ba9 s ASN 86 Ca 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 52.86 51.09 1ba9 s ASN 86 Cb 0.00 0.29 0.00 0.00 -3.03 0.00 0.00 41.25 38.51 1ba9 s ASN 86 CO 0.00 -0.67 0.00 1.33 -2.03 0.00 0.00 177.10 175.73 1ba9 n VAL 87 N 0.06 0.00 -3.66 3.54 0.24 0.09 -4.87 118.33 113.73 1ba9 n VAL 87 Ca -0.15 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 61.99 1ba9 n VAL 87 Cb 0.62 -0.83 -0.15 0.00 -1.47 0.00 0.00 33.84 32.01 1ba9 n VAL 87 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ba9 s THR 88 N 1.17 -0.29 0.13 3.34 2.01 -1.26 -2.45 115.64 118.29 1ba9 s THR 88 Ca 0.00 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.14 1ba9 s THR 88 Cb 0.00 -0.34 -0.07 0.00 0.01 0.00 0.00 72.50 72.10 1ba9 s THR 88 CO 0.00 0.13 0.60 0.00 -0.69 0.00 0.00 174.62 174.66 1ba9 s ALA 89 N 2.32 3.55 1.04 7.40 0.00 0.25 -4.04 121.76 132.27 1ba9 s ALA 89 Ca 0.03 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 1ba9 s ALA 89 Cb -0.12 -2.65 0.21 0.00 0.00 0.00 0.00 23.12 20.56 1ba9 s ALA 89 CO -0.06 0.40 1.09 -0.51 0.00 0.00 0.00 175.76 176.68 1ba9 s ASP 90 N -1.43 2.28 0.57 0.00 1.11 0.47 -1.65 116.67 118.02 1ba9 s ASP 90 Ca 0.35 1.11 0.30 0.00 0.18 0.00 0.00 52.55 54.49 1ba9 s ASP 90 Cb -0.17 -1.73 1.45 0.00 1.07 0.00 0.00 42.92 43.54 1ba9 s ASP 90 CO 0.20 -3.33 1.86 0.07 1.18 0.00 0.00 175.17 175.14 1ba9 h LYS 91 N -2.03 0.00 0.00 8.23 2.10 -1.95 0.64 116.57 123.56 1ba9 h LYS 91 Ca -0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 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 0.55 0.00 -0.33 -3.47 -2.00 0.00 0.00 179.45 174.20 1ba9 n ASP 92 N -3.92 0.37 0.00 7.07 2.03 -1.26 -4.74 116.55 116.10 1ba9 n ASP 92 Ca 0.14 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1ba9 n ASP 92 Cb 0.86 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ba9 n GLY 93 N 1.48 0.58 3.39 0.27 0.00 0.21 -4.74 105.19 106.39 1ba9 n GLY 93 Ca 0.06 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 3.65 -0.37 1.61 1.01 -1.26 -1.15 120.40 121.89 1ba9 s VAL 94 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1ba9 s VAL 94 Cb 0.00 -2.64 0.09 0.00 0.00 0.00 0.00 36.38 33.83 1ba9 s VAL 94 CO 0.00 0.44 0.13 0.00 0.00 0.00 0.00 175.10 175.67 1ba9 s ALA 95 N 1.09 3.04 -0.33 5.51 0.00 -1.26 -0.39 121.76 129.42 1ba9 s ALA 95 Ca 0.02 -2.26 -0.28 0.00 0.00 0.00 0.00 51.96 49.44 1ba9 s ALA 95 Cb -0.15 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.74 1ba9 s ALA 95 CO 0.00 -1.61 1.04 -0.51 0.00 0.00 0.00 175.76 174.68 1ba9 s ASP 96 N 1.59 6.88 0.16 0.00 1.01 -1.26 -2.46 116.67 122.59 1ba9 s ASP 96 Ca 0.04 0.96 -0.09 0.00 0.71 0.00 0.00 52.55 54.17 1ba9 s ASP 96 Cb -0.21 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.13 1ba9 s ASP 96 CO -0.03 -0.87 0.47 -0.69 0.21 0.00 0.00 175.17 174.27 1ba9 s VAL 97 N 3.60 5.01 -0.36 -1.27 1.01 0.30 -4.74 120.40 123.96 1ba9 s VAL 97 Ca 0.44 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 1ba9 s VAL 97 Cb -0.12 -3.64 0.19 0.00 0.00 0.00 0.00 36.38 32.81 1ba9 s VAL 97 CO 0.16 0.09 0.97 -0.94 0.00 0.00 0.00 175.10 175.38 1ba9 s SER 98 N -2.13 -0.59 0.21 3.32 1.04 -1.24 -1.34 113.70 112.96 1ba9 s SER 98 Ca 0.41 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1ba9 s SER 98 Cb -0.13 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1ba9 s SER 98 CO 0.21 -0.05 0.27 0.00 0.98 0.00 0.00 173.24 174.65 1ba9 n ILE 99 N 3.45 0.00 -4.13 -1.02 3.06 0.17 -5.01 119.36 115.89 1ba9 n ILE 99 Ca 0.09 -1.16 -0.09 0.00 -2.50 0.00 0.00 62.75 59.08 1ba9 n ILE 99 Cb 0.62 0.68 -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 -2.56 0.71 0.05 9.51 1.03 -1.26 -0.37 118.70 125.81 1ba9 s GLU 100 Ca 0.19 -1.23 0.04 0.00 0.03 0.00 0.00 54.97 53.99 1ba9 s GLU 100 Cb -0.00 -0.04 -0.02 0.00 -0.80 0.00 0.00 34.13 33.26 1ba9 s GLU 100 CO 0.14 -0.05 -0.11 -0.51 -1.33 0.00 0.00 175.26 173.40 1ba9 s ASP 101 N -2.86 1.24 -0.07 0.83 1.01 0.27 -4.91 116.67 112.18 1ba9 s ASP 101 Ca 0.08 -0.53 0.21 0.00 0.71 0.00 0.00 52.55 53.01 1ba9 s ASP 101 Cb 0.05 -0.02 -0.32 0.00 1.01 0.00 0.00 42.92 43.64 1ba9 s ASP 101 CO -0.06 -0.11 0.38 -1.54 0.21 0.00 0.00 175.17 174.04 1ba9 n SER 102 N 1.54 0.00 -0.05 0.27 3.41 -1.26 -0.32 113.62 117.22 1ba9 n SER 102 Ca -0.21 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.39 1ba9 n SER 102 Cb 0.55 1.74 -0.00 0.00 -0.26 0.00 0.00 64.21 66.23 1ba9 n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ba9 h VAL 103 N 0.00 0.00 -4.03 -3.33 2.07 -1.96 -3.47 116.25 105.52 1ba9 h VAL 103 Ca -0.14 -0.79 -0.48 0.00 0.82 0.00 0.00 66.70 66.11 1ba9 h VAL 103 Cb 1.32 0.00 0.15 0.00 -1.52 0.00 0.00 31.29 31.24 1ba9 h VAL 103 CO 0.01 0.00 0.24 0.27 0.02 0.00 0.00 177.57 178.11 1ba9 s ILE 104 N -1.64 2.52 -0.51 4.57 -5.25 -1.26 -4.97 121.20 114.67 1ba9 s ILE 104 Ca -0.04 0.17 0.00 0.00 -0.99 0.00 0.00 60.65 59.79 1ba9 s ILE 104 Cb 0.01 -2.66 0.00 0.00 2.95 0.00 0.00 42.46 42.76 1ba9 s ILE 104 CO 0.06 -0.22 0.00 -1.20 -1.79 0.00 0.00 174.94 171.79 1ba9 n SER 105 N -3.95 0.00 -1.20 4.36 7.64 -1.26 -4.56 113.62 114.65 1ba9 n SER 105 Ca 0.07 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.05 1ba9 n SER 105 Cb 0.56 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 64.04 1ba9 n SER 105 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ba9 n LEU 106 N 0.00 3.49 -4.59 -3.43 4.32 -1.26 -2.09 117.00 113.44 1ba9 n LEU 106 Ca 0.00 -1.75 -0.29 0.00 -0.02 0.00 0.00 56.01 53.96 1ba9 n LEU 106 Cb 0.00 -0.44 0.21 0.00 -1.62 0.00 0.00 43.42 41.57 1ba9 n LEU 106 CO 0.00 0.86 0.59 -0.94 -1.22 0.00 0.00 177.39 176.67 1ba9 s SER 107 N -0.99 1.91 0.00 -1.43 1.04 -1.26 -4.53 113.70 108.43 1ba9 s SER 107 Ca 0.43 1.43 0.00 0.00 0.48 0.00 0.00 55.95 58.29 1ba9 s SER 107 Cb 0.23 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1ba9 s SER 107 CO 0.29 -3.61 0.28 0.61 0.98 0.00 0.00 173.24 171.78 1ba9 n GLY 108 N -0.12 -2.03 0.17 7.32 0.00 -1.26 0.02 105.19 109.29 1ba9 n GLY 108 Ca 0.05 0.43 0.04 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.21 1.61 5.19 -1.97 -3.21 116.42 117.83 1ba9 h ASP 109 Ca 0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1ba9 h ASP 109 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1ba9 h ASP 109 CO 0.00 0.46 0.06 0.45 -3.12 0.00 0.00 179.24 177.09 1ba9 h HIS 110 N 0.00 0.10 0.00 4.55 3.86 -1.78 -3.45 115.15 118.43 1ba9 h HIS 110 Ca -0.00 0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1ba9 h HIS 110 Cb 1.05 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 1ba9 h HIS 110 CO 0.00 0.05 0.39 0.45 0.86 0.00 0.00 177.93 179.68 1ba9 n SER 111 N -5.06 0.16 0.08 2.45 2.88 0.10 -4.37 113.62 109.87 1ba9 n SER 111 Ca -0.02 0.14 0.10 0.00 -1.33 0.00 0.00 58.87 57.76 1ba9 n SER 111 Cb 0.08 -0.24 0.43 0.00 -0.75 0.00 0.00 64.21 63.73 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 1.83 0.86 -1.65 2.46 -0.00 -1.01 -4.69 119.36 117.17 1ba9 n ILE 112 Ca 0.16 0.21 -0.46 0.00 -0.00 0.00 0.00 62.75 62.66 1ba9 n ILE 112 Cb -0.00 -1.07 -0.04 0.00 -0.00 0.00 0.00 39.64 38.52 1ba9 n ILE 112 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1ba9 n ILE 113 N -1.97 0.58 0.00 7.28 2.08 -1.26 -0.73 119.36 125.35 1ba9 n ILE 113 Ca 0.03 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1ba9 n ILE 113 Cb 0.22 -2.11 0.00 0.00 -0.75 0.00 0.00 39.64 37.00 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 4.82 0.40 3.85 7.39 0.00 0.30 -5.00 105.19 116.95 1ba9 n GLY 114 Ca 0.24 0.00 -0.32 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 -0.95 3.96 -0.37 1.61 1.81 0.10 -4.16 118.95 120.96 1ba9 s ARG 115 Ca 0.00 0.71 -0.18 0.00 -1.72 0.00 0.00 55.73 54.53 1ba9 s ARG 115 Cb 0.00 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.15 1ba9 s ARG 115 CO 0.00 0.03 0.52 0.99 -0.68 0.00 0.00 175.30 176.16 1ba9 s THR 116 N -2.19 5.00 -0.20 0.02 2.01 -0.79 -1.05 115.64 118.44 1ba9 s THR 116 Ca 0.55 0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.66 1ba9 s THR 116 Cb -0.10 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1ba9 s THR 116 CO 0.22 -0.28 0.22 -0.22 -0.69 0.00 0.00 174.62 173.87 1ba9 s LEU 117 N 2.41 4.18 0.01 4.42 0.20 0.88 -0.18 118.68 130.60 1ba9 s LEU 117 Ca 0.18 0.30 0.03 0.00 0.69 0.00 0.00 54.13 55.34 1ba9 s LEU 117 Cb -0.15 -2.23 -0.01 0.00 -0.43 0.00 0.00 46.19 43.36 1ba9 s LEU 117 CO 0.14 0.08 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.49 1ba9 s VAL 118 N 0.75 0.83 0.06 1.68 1.01 0.18 -0.14 120.40 124.77 1ba9 s VAL 118 Ca 0.12 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1ba9 s VAL 118 Cb -0.13 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1ba9 s VAL 118 CO 0.03 0.09 -0.01 0.54 0.00 0.00 0.00 175.10 175.75 1ba9 s VAL 119 N -0.54 4.02 0.30 2.92 0.11 -0.31 -1.85 120.40 125.06 1ba9 s VAL 119 Ca 0.02 -0.86 0.11 0.00 -2.93 0.00 0.00 61.98 58.32 1ba9 s VAL 119 Cb -0.06 -2.87 -0.05 0.00 -1.53 0.00 0.00 36.38 31.87 1ba9 s VAL 119 CO 0.00 0.22 -0.15 -1.00 -3.33 0.00 0.00 175.10 170.84 1ba9 s HIS 120 N -1.22 2.36 0.02 1.54 3.76 -0.03 -1.59 115.29 120.12 1ba9 s HIS 120 Ca 0.23 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.51 1ba9 s HIS 120 Cb -0.12 -1.14 -0.16 0.00 1.11 0.00 0.00 32.58 32.27 1ba9 s HIS 120 CO 0.15 0.66 1.26 1.49 -0.85 0.00 0.00 174.74 177.46 1ba9 h GLU 121 N 2.15 -0.47 -7.09 1.40 4.81 -0.71 -3.29 114.58 111.39 1ba9 h GLU 121 Ca -0.41 0.03 -0.45 0.00 -0.13 0.00 0.00 59.36 58.40 1ba9 h GLU 121 Cb 1.26 0.11 0.07 0.00 0.63 0.00 0.00 28.75 30.81 1ba9 h GLU 121 CO 0.63 -0.16 0.10 0.15 -0.73 0.00 0.00 179.01 179.01 1ba9 s LYS 122 N -4.80 2.18 0.58 1.92 -0.14 0.99 -4.62 119.74 115.86 1ba9 s LYS 122 Ca -0.14 -0.64 -0.20 0.00 -1.36 0.00 0.00 55.97 53.63 1ba9 s LYS 122 Cb 0.02 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1ba9 s LYS 122 CO 0.54 -1.10 1.24 0.00 -0.76 0.00 0.00 175.35 175.27 1ba9 s ALA 123 N -3.05 2.62 -0.20 5.17 0.00 -0.97 -0.73 121.76 124.59 1ba9 s ALA 123 Ca 0.61 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.36 1ba9 s ALA 123 Cb -0.09 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1ba9 s ALA 123 CO 0.42 -1.20 1.30 0.34 0.00 0.00 0.00 175.76 176.62 1ba9 s ASP 124 N -1.43 6.83 0.00 0.00 -1.08 -1.26 -3.99 116.67 115.75 1ba9 s ASP 124 Ca 0.76 1.58 0.24 0.00 -0.52 0.00 0.00 52.55 54.60 1ba9 s ASP 124 Cb -0.33 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 39.98 1ba9 s ASP 124 CO 0.37 -0.88 1.79 -0.67 0.52 0.00 0.00 175.17 176.30 1ba9 n ASP 125 N 6.99 0.00 -4.36 -0.34 2.03 0.82 -4.79 116.55 116.91 1ba9 n ASP 125 Ca 0.14 -0.64 -0.38 0.00 0.52 0.00 0.00 54.79 54.44 1ba9 n ASP 125 Cb 0.45 -0.05 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 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 -1.05 -1.30 0.00 -2.67 4.77 -1.26 -0.70 117.00 114.79 1ba9 n LEU 126 Ca 0.17 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1ba9 n LEU 126 Cb 0.10 -1.85 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 1ba9 n LEU 126 CO 0.14 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1ba9 n GLY 127 N -1.36 2.17 0.25 -0.72 0.00 -1.25 -4.34 105.19 99.93 1ba9 n GLY 127 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 1.73 0.00 -0.09 1.61 1.57 -1.24 -1.10 116.57 119.05 1ba9 h LYS 128 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1ba9 h LYS 128 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ba9 h LYS 128 CO 0.00 0.14 0.18 0.78 -0.57 0.00 0.00 179.45 179.98 1ba9 h GLY 129 N 0.61 0.00 -2.89 3.86 0.00 -1.90 -3.46 103.07 99.29 1ba9 h GLY 129 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1ba9 h GLY 129 CO 0.02 0.00 -0.37 0.61 0.00 0.00 0.00 176.54 176.80 1ba9 n GLY 130 N -1.27 -0.05 3.37 4.60 0.00 -0.42 -5.03 105.19 106.39 1ba9 n GLY 130 Ca -0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.81 2.63 0.17 1.61 6.03 -1.26 -5.01 114.94 116.29 1ba9 s ASN 131 Ca 0.18 -1.07 -0.20 0.00 -1.03 0.00 0.00 52.86 50.74 1ba9 s ASN 131 Cb -0.08 -0.15 0.09 0.00 -3.03 0.00 0.00 41.25 38.09 1ba9 s ASN 131 CO 0.22 -0.22 1.63 -0.08 -2.03 0.00 0.00 177.10 176.62 1ba9 h GLU 132 N 2.47 -0.15 -0.21 3.55 4.81 -1.96 0.89 114.58 123.98 1ba9 h GLU 132 Ca -0.39 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.88 1ba9 h GLU 132 Cb 1.23 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1ba9 h GLU 132 CO 0.63 -0.10 -0.35 0.37 -0.73 0.00 0.00 179.01 178.83 1ba9 h GLN 133 N -0.16 -0.27 -0.03 1.92 -0.00 -1.97 0.44 115.11 115.04 1ba9 h GLN 133 Ca 0.19 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.88 1ba9 h GLN 133 Cb 0.45 0.06 -0.06 0.00 0.00 0.00 0.00 27.48 27.94 1ba9 h GLN 133 CO -0.49 -0.18 -0.54 0.77 0.00 0.00 0.00 178.83 178.40 1ba9 h SER 134 N -0.28 -1.66 0.26 -0.69 0.02 -1.85 0.65 113.55 110.00 1ba9 h SER 134 Ca 0.04 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1ba9 h SER 134 Cb 0.39 0.64 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1ba9 h SER 134 CO -0.35 -0.51 0.00 0.35 -1.14 0.00 0.00 176.83 175.18 1ba9 n THR 135 N -5.46 1.05 -0.07 -2.27 -2.24 0.29 -0.11 114.28 105.47 1ba9 n THR 135 Ca -0.07 0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.90 1ba9 n THR 135 Cb 0.39 -1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 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 -1.39 1.67 0.00 -0.78 4.81 0.14 -2.44 118.16 120.17 1ba9 n LYS 136 Ca 0.04 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1ba9 n LYS 136 Cb 0.10 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 -2.52 0.00 -0.07 3.15 -2.24 0.23 -4.48 114.28 108.35 1ba9 n THR 137 Ca -0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1ba9 n THR 137 Cb 0.96 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.53 1.46 2.41 3.38 0.00 0.84 -4.34 105.19 109.46 1ba9 n GLY 138 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.09 -3.56 0.00 1.61 5.15 -1.26 -0.12 115.26 117.17 1ba9 n ASN 139 Ca 0.00 0.23 0.14 0.00 -0.60 0.00 0.00 54.58 54.35 1ba9 n ASN 139 Cb 0.01 -3.06 0.70 0.00 -0.53 0.00 0.00 39.78 36.91 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 -2.09 2.39 -0.39 5.20 0.00 -1.26 -4.76 120.51 119.61 1ba9 n ALA 140 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ba9 n ALA 140 Cb 0.58 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 1.06 -1.46 3.71 0.00 0.00 -1.26 -0.01 105.19 107.24 1ba9 n GLY 141 Ca 0.13 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ba9 s SER 142 N -4.00 2.64 -0.31 1.61 0.15 -1.26 -4.51 113.70 108.02 1ba9 s SER 142 Ca 0.00 0.96 -0.21 0.00 0.70 0.00 0.00 55.95 57.40 1ba9 s SER 142 Cb 0.00 -1.49 -0.01 0.00 -1.71 0.00 0.00 66.02 62.81 1ba9 s SER 142 CO 0.00 -3.10 0.64 -0.13 1.20 0.00 0.00 173.24 171.86 1ba9 s ARG 143 N -5.19 3.90 0.18 5.44 3.00 -1.26 -0.83 118.95 124.19 1ba9 s ARG 143 Ca 0.66 0.32 0.08 0.00 0.00 0.00 0.00 55.73 56.80 1ba9 s ARG 143 Cb -0.15 -3.73 -0.00 0.00 0.00 0.00 0.00 34.95 31.07 1ba9 s ARG 143 CO 0.56 -0.58 1.40 -0.07 0.00 0.00 0.00 175.30 176.61 1ba9 h LEU 144 N 9.18 0.00 -7.00 2.53 -0.00 -1.58 -3.48 115.31 114.96 1ba9 h LEU 144 Ca -0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.59 1ba9 h LEU 144 Cb 1.12 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.61 1ba9 h LEU 144 CO 0.81 0.86 0.25 0.00 -0.00 0.00 0.00 178.44 180.36 1ba9 s ALA 145 N -3.04 -1.72 0.09 1.53 0.00 -1.22 -4.15 121.76 113.25 1ba9 s ALA 145 Ca 0.00 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.02 1ba9 s ALA 145 Cb 0.11 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 1ba9 s ALA 145 CO 0.80 -0.54 -0.17 0.00 0.00 0.00 0.00 175.76 175.84 1ba9 s GLY 147 N -1.87 -0.11 -0.11 0.00 0.00 0.80 -0.45 107.32 105.57 1ba9 s GLY 147 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.49 1ba9 s GLY 147 CO 0.03 -0.50 -0.17 0.14 0.00 0.00 0.00 173.10 172.61 1ba9 s VAL 148 N -3.68 2.73 -0.09 1.40 1.01 -1.25 -0.09 120.40 120.43 1ba9 s VAL 148 Ca 0.03 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 1ba9 s VAL 148 Cb 0.03 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1ba9 s VAL 148 CO -0.11 0.54 0.82 -0.63 0.00 0.00 0.00 175.10 175.73 1ba9 s ILE 149 N 0.23 4.93 0.31 2.22 1.01 -0.21 -3.91 121.20 125.78 1ba9 s ILE 149 Ca -0.11 1.67 0.04 0.00 0.00 0.00 0.00 60.65 62.26 1ba9 s ILE 149 Cb -0.16 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1ba9 s ILE 149 CO 0.06 0.13 0.28 -0.83 0.00 0.00 0.00 174.94 174.58 1ba9 s GLY 150 N 1.00 2.05 0.35 6.18 0.00 0.26 -0.54 107.32 116.62 1ba9 s GLY 150 Ca 0.41 -1.93 -0.27 0.00 0.00 0.00 0.00 44.72 42.93 1ba9 s GLY 150 CO 0.18 -1.40 1.18 -0.42 0.00 0.00 0.00 173.10 172.64 1ba9 s ILE 151 N -3.54 3.17 -0.34 0.90 -1.09 -1.26 -0.37 121.20 118.68 1ba9 s ILE 151 Ca 0.39 1.09 -0.03 0.00 -2.23 0.00 0.00 60.65 59.86 1ba9 s ILE 151 Cb 0.03 -3.65 0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1ba9 s ILE 151 CO 0.24 0.19 2.73 0.00 -1.23 0.00 0.00 174.94 176.87 1ba9 n ALA 152 N 0.59 6.09 -0.68 9.38 0.00 -0.23 -4.64 120.51 131.01 1ba9 n ALA 152 Ca 0.02 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 51.00 1ba9 n ALA 152 Cb 0.45 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44