#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 -8.98 -2.68 0.00 5.66 -1.26 -4.91 114.28 102.11 1ba9 n THR 2 Ca 0.00 -0.81 -0.05 0.00 -3.05 0.00 0.00 64.05 60.14 1ba9 n THR 2 Cb 0.00 -6.30 0.07 0.00 -1.55 0.00 0.00 70.33 62.54 1ba9 n THR 2 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1ba9 n LYS 3 N -2.72 0.45 -4.23 1.09 2.85 -1.23 -4.82 118.16 109.55 1ba9 n LYS 3 Ca -0.06 -1.06 -0.26 0.00 -1.05 0.00 0.00 58.31 55.88 1ba9 n LYS 3 Cb 0.57 -0.21 -0.08 0.00 -0.65 0.00 0.00 35.03 34.66 1ba9 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ba9 s ALA 4 N 0.10 3.13 -0.00 0.58 0.00 -0.53 -0.33 121.76 124.71 1ba9 s ALA 4 Ca 0.15 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 1ba9 s ALA 4 Cb 0.23 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1ba9 s ALA 4 CO -0.09 0.46 0.17 0.54 0.00 0.00 0.00 175.76 176.84 1ba9 s VAL 5 N -1.76 0.08 -0.18 0.00 0.11 0.36 -0.28 120.40 118.72 1ba9 s VAL 5 Ca 0.27 -0.65 -0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1ba9 s VAL 5 Cb -0.09 -0.47 0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1ba9 s VAL 5 CO 0.18 -0.35 0.01 0.00 -3.33 0.00 0.00 175.10 171.60 1ba9 s ALA 6 N -1.37 1.14 -0.78 1.54 0.00 0.21 -0.90 121.76 121.60 1ba9 s ALA 6 Ca -0.14 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 50.86 1ba9 s ALA 6 Cb -0.07 -1.14 0.06 0.00 0.00 0.00 0.00 23.12 21.97 1ba9 s ALA 6 CO 0.02 -1.03 1.18 0.14 0.00 0.00 0.00 175.76 176.08 1ba9 s VAL 7 N 1.79 4.07 0.46 0.00 -7.23 -1.25 -0.61 120.40 117.63 1ba9 s VAL 7 Ca -0.00 -0.27 -0.25 0.00 -1.81 0.00 0.00 61.98 59.64 1ba9 s VAL 7 Cb -0.16 -4.85 -0.08 0.00 0.56 0.00 0.00 36.38 31.85 1ba9 s VAL 7 CO -0.07 -1.70 1.42 -0.76 -0.31 0.00 0.00 175.10 173.68 1ba9 s LEU 8 N 4.70 4.08 0.06 1.32 1.02 0.87 -4.30 118.68 126.43 1ba9 s LEU 8 Ca 0.32 2.91 -0.14 0.00 0.02 0.00 0.00 54.13 57.24 1ba9 s LEU 8 Cb -0.09 -3.98 0.02 0.00 0.02 0.00 0.00 46.19 42.16 1ba9 s LEU 8 CO 0.06 -1.23 0.32 -0.75 0.02 0.00 0.00 176.35 174.77 1ba9 s LYS 9 N -2.51 0.86 0.00 1.70 2.47 0.01 -1.36 119.74 120.91 1ba9 s LYS 9 Ca 0.62 -0.54 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 1ba9 s LYS 9 Cb -0.43 0.37 0.00 0.00 -1.46 0.00 0.00 37.83 36.31 1ba9 s LYS 9 CO 0.55 -0.29 0.00 0.41 0.16 0.00 0.00 175.35 176.19 1ba9 n GLY 10 N 0.43 4.14 0.32 5.54 0.00 -0.82 -0.64 105.19 114.15 1ba9 n GLY 10 Ca -0.18 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 1ba9 n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 11 N 0.00 0.97 -3.04 1.61 3.58 -1.89 -3.44 116.42 114.20 1ba9 h ASP 11 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1ba9 h ASP 11 Cb 0.00 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.80 1ba9 h ASP 11 CO 0.00 0.74 0.00 0.61 -2.88 0.00 0.00 179.24 177.71 1ba9 n GLY 12 N -1.23 1.90 0.19 -0.78 0.00 -1.26 -5.00 105.19 99.02 1ba9 n GLY 12 Ca 0.08 -2.09 0.14 0.00 0.00 0.00 0.00 46.02 44.16 1ba9 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 h PRO 13 N 0.00 0.00 -4.87 1.61 0.13 -1.86 -3.44 132.00 123.58 1ba9 h PRO 13 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 1ba9 h PRO 13 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1ba9 h PRO 13 CO 0.00 0.00 1.80 1.55 -0.23 0.00 0.00 178.00 181.12 1ba9 n VAL 14 N -2.68 0.00 -3.97 1.56 3.14 -1.23 -4.48 118.33 110.67 1ba9 n VAL 14 Ca 0.02 -0.16 -0.09 0.00 -2.96 0.00 0.00 64.34 61.16 1ba9 n VAL 14 Cb 0.33 -0.33 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ba9 s GLN 15 N 8.15 0.49 -0.29 1.45 -2.07 -0.87 -1.95 119.66 124.57 1ba9 s GLN 15 Ca 1.31 -0.75 -0.15 0.00 -1.82 0.00 0.00 55.36 53.96 1ba9 s GLN 15 Cb -1.10 0.18 0.10 0.00 -1.09 0.00 0.00 33.01 31.11 1ba9 s GLN 15 CO 0.50 -0.11 0.74 0.20 -1.32 0.00 0.00 175.29 175.31 1ba9 s GLY 16 N -1.96 -0.53 -0.84 2.60 0.00 -0.46 0.44 107.32 106.57 1ba9 s GLY 16 Ca -0.08 2.56 -0.22 0.00 0.00 0.00 0.00 44.72 46.98 1ba9 s GLY 16 CO -0.04 2.57 1.18 -0.42 0.00 0.00 0.00 173.10 176.40 1ba9 s ILE 17 N 1.81 4.25 0.30 0.90 1.09 -1.18 -0.09 121.20 128.29 1ba9 s ILE 17 Ca -0.09 -0.69 -0.28 0.00 -1.10 0.00 0.00 60.65 58.49 1ba9 s ILE 17 Cb -0.06 -4.84 -0.09 0.00 -1.06 0.00 0.00 42.46 36.41 1ba9 s ILE 17 CO -0.19 -1.65 1.02 -0.63 -0.10 0.00 0.00 174.94 173.38 1ba9 s ILE 18 N 4.14 3.83 0.09 2.92 -1.09 0.22 -3.42 121.20 127.90 1ba9 s ILE 18 Ca 0.33 1.67 0.10 0.00 -2.23 0.00 0.00 60.65 60.52 1ba9 s ILE 18 Cb -0.08 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1ba9 s ILE 18 CO 0.00 0.27 -0.23 0.20 -1.23 0.00 0.00 174.94 173.95 1ba9 s ASN 19 N -1.25 3.49 -0.13 3.58 0.02 0.67 -0.62 114.94 120.69 1ba9 s ASN 19 Ca 0.48 -0.62 -0.01 0.00 -1.02 0.00 0.00 52.86 51.69 1ba9 s ASN 19 Cb -0.26 -0.37 0.04 0.00 0.02 0.00 0.00 41.25 40.68 1ba9 s ASN 19 CO 0.32 0.21 -0.04 -0.36 0.02 0.00 0.00 177.10 177.25 1ba9 s PHE 20 N -1.00 1.40 0.13 2.20 0.08 0.61 -1.99 117.98 119.41 1ba9 s PHE 20 Ca 0.14 -0.80 0.10 0.00 0.12 0.00 0.00 56.93 56.50 1ba9 s PHE 20 Cb -0.10 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1ba9 s PHE 20 CO 0.06 -0.53 -0.24 -1.21 -0.10 0.00 0.00 175.22 173.19 1ba9 s GLU 21 N 1.73 1.31 0.31 0.44 2.02 -0.90 -1.45 118.70 122.16 1ba9 s GLU 21 Ca 0.03 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.72 1ba9 s GLU 21 Cb -0.14 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.40 1ba9 s GLU 21 CO -0.07 0.39 0.00 0.94 0.02 0.00 0.00 175.26 176.54 1ba9 n GLN 22 N 0.90 0.00 0.00 1.61 7.27 -1.26 -0.58 117.38 125.32 1ba9 n GLN 22 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.89 1ba9 n GLN 22 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ba9 n LYS 23 N -3.43 0.00 0.10 3.69 0.00 -1.26 -4.49 118.16 112.77 1ba9 n LYS 23 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.44 1ba9 n LYS 23 Cb 0.00 -0.04 0.44 0.00 0.00 0.00 0.00 35.03 35.43 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 0.22 0.00 1.64 4.71 -1.26 -4.90 120.64 121.04 1ba9 n GLU 24 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1ba9 n GLU 24 Cb 0.00 -1.80 0.00 0.00 -1.01 0.00 0.00 31.44 28.63 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 -2.19 0.00 -1.99 1.62 2.88 -1.26 -4.07 113.62 108.61 1ba9 n SER 25 Ca 0.05 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.60 1ba9 n SER 25 Cb 0.36 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.87 1ba9 n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ba9 n ASN 26 N 1.70 1.52 -0.15 -3.46 2.85 -1.26 -4.06 115.26 112.39 1ba9 n ASN 26 Ca 0.00 -2.26 0.00 0.00 -0.11 0.00 0.00 54.58 52.21 1ba9 n ASN 26 Cb 0.00 -0.39 0.00 0.00 1.24 0.00 0.00 39.78 40.63 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 -0.12 6.50 3.66 8.20 0.00 -1.26 -5.09 105.19 117.08 1ba9 n GLY 27 Ca 0.10 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 0.72 4.16 0.32 1.61 0.04 -1.26 -4.77 135.00 135.81 1ba9 s PRO 28 Ca 0.00 2.29 -0.26 0.00 0.04 0.00 0.00 61.00 63.07 1ba9 s PRO 28 Cb 0.00 -4.04 -0.10 0.00 0.04 0.00 0.00 34.50 30.41 1ba9 s PRO 28 CO 0.00 -0.89 0.98 0.08 0.04 0.00 0.00 177.00 177.21 1ba9 s VAL 29 N 4.20 4.02 -0.27 -0.36 1.01 0.41 -4.69 120.40 124.71 1ba9 s VAL 29 Ca 0.77 1.72 -0.10 0.00 0.00 0.00 0.00 61.98 64.38 1ba9 s VAL 29 Cb -0.36 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1ba9 s VAL 29 CO 0.33 0.18 0.14 -0.54 0.00 0.00 0.00 175.10 175.21 1ba9 s LYS 30 N -1.98 3.77 -0.24 2.72 1.02 0.26 -0.75 119.74 124.54 1ba9 s LYS 30 Ca 0.50 -0.42 -0.07 0.00 0.02 0.00 0.00 55.97 56.00 1ba9 s LYS 30 Cb -0.22 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 1ba9 s LYS 30 CO 0.27 -0.21 0.06 0.08 -0.92 0.00 0.00 175.35 174.63 1ba9 s VAL 31 N 1.69 4.28 0.17 3.17 1.01 0.44 -2.11 120.40 129.04 1ba9 s VAL 31 Ca 0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1ba9 s VAL 31 Cb -0.16 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1ba9 s VAL 31 CO 0.08 0.36 0.22 -1.66 0.00 0.00 0.00 175.10 174.10 1ba9 s TRP 32 N 1.49 0.60 0.00 5.22 -2.14 -0.84 -0.52 118.94 122.75 1ba9 s TRP 32 Ca 0.06 -0.95 -0.13 0.00 2.66 0.00 0.00 56.10 57.74 1ba9 s TRP 32 Cb -0.15 -0.20 0.04 0.00 -3.10 0.00 0.00 33.47 30.06 1ba9 s TRP 32 CO 0.03 -0.68 0.58 0.41 -2.66 0.00 0.00 176.95 174.63 1ba9 n GLY 33 N -0.20 0.51 3.13 3.67 0.00 -0.67 -0.24 105.19 111.39 1ba9 n GLY 33 Ca -0.05 -0.94 0.03 0.00 0.00 0.00 0.00 46.02 45.05 1ba9 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ba9 s SER 34 N -2.29 -1.25 0.76 1.61 0.15 -1.22 -0.60 113.70 110.85 1ba9 s SER 34 Ca 0.14 0.75 -0.11 0.00 0.70 0.00 0.00 55.95 57.42 1ba9 s SER 34 Cb -0.00 2.06 0.04 0.00 -1.71 0.00 0.00 66.02 66.41 1ba9 s SER 34 CO 0.00 -0.27 1.10 -0.51 1.20 0.00 0.00 173.24 174.76 1ba9 s ILE 35 N 2.83 3.21 -0.31 6.45 2.07 -0.89 -3.08 121.20 131.47 1ba9 s ILE 35 Ca 0.19 0.39 0.01 0.00 -1.41 0.00 0.00 60.65 59.83 1ba9 s ILE 35 Cb -0.15 -3.27 0.15 0.00 0.13 0.00 0.00 42.46 39.32 1ba9 s ILE 35 CO -0.21 -0.51 0.34 -0.54 -1.91 0.00 0.00 174.94 172.10 1ba9 s LYS 36 N -5.28 0.43 0.00 3.50 1.02 0.17 -3.87 119.74 115.71 1ba9 s LYS 36 Ca 0.60 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1ba9 s LYS 36 Cb -0.13 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.57 1ba9 s LYS 36 CO 0.53 -1.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 1ba9 n GLY 37 N 5.03 0.00 0.00 -3.33 0.00 -0.35 -2.06 105.19 104.48 1ba9 n GLY 37 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.02 0.99 7.94 -0.01 -3.55 117.00 118.36 1ba9 n LEU 38 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1ba9 n LEU 38 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1ba9 n LEU 38 CO 0.00 0.00 -0.28 0.28 -1.11 0.00 0.00 177.39 176.28 1ba9 s THR 39 N 1.26 0.19 0.63 1.96 -1.32 -1.26 -4.48 115.64 112.62 1ba9 s THR 39 Ca 0.00 -1.60 -0.18 0.00 -1.21 0.00 0.00 61.69 58.70 1ba9 s THR 39 Cb 0.00 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 1ba9 s THR 39 CO 0.00 -0.88 1.01 -1.84 -2.21 0.00 0.00 174.62 170.70 1ba9 n GLU 40 N 0.11 0.87 0.00 7.08 -0.00 -1.20 -4.52 120.64 122.99 1ba9 n GLU 40 Ca -0.15 0.35 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1ba9 n GLU 40 Cb 0.61 -2.23 0.00 0.00 -0.00 0.00 0.00 31.44 29.82 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 1.23 0.23 3.02 -1.84 0.00 -1.11 -4.90 105.19 101.82 1ba9 n GLY 41 Ca 0.14 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 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 2.14 -0.03 0.99 2.34 -1.26 -0.42 118.68 122.44 1ba9 s LEU 42 Ca 0.00 -0.34 0.02 0.00 0.06 0.00 0.00 54.13 53.88 1ba9 s LEU 42 Cb 0.00 -0.23 0.01 0.00 -0.56 0.00 0.00 46.19 45.40 1ba9 s LEU 42 CO 0.00 -0.07 -0.08 -1.00 -1.06 0.00 0.00 176.35 174.14 1ba9 s HIS 43 N -0.78 0.93 -0.20 3.48 3.76 0.38 -2.24 115.29 120.62 1ba9 s HIS 43 Ca -0.04 -0.24 -0.29 0.00 -0.15 0.00 0.00 55.06 54.34 1ba9 s HIS 43 Cb -0.06 -0.68 -0.01 0.00 1.11 0.00 0.00 32.58 32.94 1ba9 s HIS 43 CO 0.00 -0.12 1.27 0.20 -0.85 0.00 0.00 174.74 175.24 1ba9 s GLY 44 N 0.30 1.57 -0.22 -2.22 0.00 -0.36 -0.49 107.32 105.91 1ba9 s GLY 44 Ca -0.05 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.02 1ba9 s GLY 44 CO 0.01 2.52 -0.11 -0.12 0.00 0.00 0.00 173.10 175.39 1ba9 s PHE 45 N 3.74 2.94 0.12 1.90 2.19 0.70 -2.75 117.98 126.82 1ba9 s PHE 45 Ca 0.55 -1.45 -0.06 0.00 0.33 0.00 0.00 56.93 56.31 1ba9 s PHE 45 Cb -0.20 -2.01 -0.02 0.00 -1.31 0.00 0.00 43.02 39.47 1ba9 s PHE 45 CO 0.17 -0.71 0.16 -1.01 1.83 0.00 0.00 175.22 175.65 1ba9 s HIS 46 N 1.35 0.49 -0.47 10.12 3.76 0.11 -2.20 115.29 128.45 1ba9 s HIS 46 Ca 0.03 -0.90 -0.17 0.00 -0.15 0.00 0.00 55.06 53.87 1ba9 s HIS 46 Cb -0.15 -0.22 0.06 0.00 1.11 0.00 0.00 32.58 33.38 1ba9 s HIS 46 CO -0.07 -0.58 0.48 0.08 -0.85 0.00 0.00 174.74 173.80 1ba9 s VAL 47 N -3.96 5.08 0.63 -0.90 1.01 0.45 -0.65 120.40 122.06 1ba9 s VAL 47 Ca 0.15 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1ba9 s VAL 47 Cb 0.05 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1ba9 s VAL 47 CO -0.03 -0.62 1.04 -1.00 0.00 0.00 0.00 175.10 174.49 1ba9 s HIS 48 N 2.08 3.32 0.68 5.22 3.76 0.50 -1.88 115.29 128.97 1ba9 s HIS 48 Ca 0.09 1.40 -0.14 0.00 -0.15 0.00 0.00 55.06 56.26 1ba9 s HIS 48 Cb -0.21 -2.83 0.01 0.00 1.11 0.00 0.00 32.58 30.66 1ba9 s HIS 48 CO 0.10 -0.91 1.11 -2.00 -0.85 0.00 0.00 174.74 172.19 1ba9 s GLU 49 N -4.81 2.66 0.92 1.40 2.12 -0.71 -3.55 118.70 116.73 1ba9 s GLU 49 Ca 0.58 1.38 0.00 0.00 0.36 0.00 0.00 54.97 57.29 1ba9 s GLU 49 Cb -0.13 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.33 1ba9 s GLU 49 CO 0.49 -1.36 0.00 -0.85 -0.54 0.00 0.00 175.26 173.00 1ba9 n GLU 50 N -2.61 0.00 0.00 4.30 0.28 -1.26 -0.92 120.64 120.42 1ba9 n GLU 50 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1ba9 n GLU 50 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 1ba9 n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1ba9 n GLU 51 N -0.19 0.00 -1.47 3.44 -0.00 -1.26 0.04 120.64 121.20 1ba9 n GLU 51 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.04 1ba9 n GLU 51 Cb 0.00 -0.27 -0.10 0.00 -0.00 0.00 0.00 31.44 31.08 1ba9 n GLU 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ba9 n ASP 52 N -1.73 0.66 -1.90 -1.84 2.03 -1.26 -4.70 116.55 107.81 1ba9 n ASP 52 Ca 0.00 -1.95 -0.18 0.00 0.52 0.00 0.00 54.79 53.17 1ba9 n ASP 52 Cb 0.00 -1.44 0.07 0.00 -0.72 0.00 0.00 41.12 39.02 1ba9 n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ba9 n ASN 53 N 16.14 5.65 -0.17 1.67 5.03 -1.26 -4.49 115.26 137.83 1ba9 n ASN 53 Ca 0.37 -3.13 -0.02 0.00 0.87 0.00 0.00 54.58 52.67 1ba9 n ASN 53 Cb 0.44 -0.93 0.08 0.00 -1.02 0.00 0.00 39.78 38.35 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1ba9 h THR 54 N 0.86 0.79 0.00 3.41 1.35 -2.01 0.83 112.91 118.14 1ba9 h THR 54 Ca 0.36 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1ba9 h THR 54 Cb 1.29 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1ba9 h THR 54 CO 0.84 0.06 0.17 0.00 -0.25 0.00 0.00 175.52 176.34 1ba9 h ALA 55 N 1.37 1.13 -1.04 6.62 0.00 -1.99 -3.46 119.26 121.88 1ba9 h ALA 55 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ba9 h ALA 55 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ba9 h ALA 55 CO -0.28 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1ba9 n GLY 56 N -1.25 -0.20 2.37 0.00 0.00 0.28 -4.66 105.19 101.73 1ba9 n GLY 56 Ca -0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 n THR 58 N -3.06 0.78 -0.21 0.00 -1.04 -1.26 -4.79 114.28 104.70 1ba9 n THR 58 Ca -0.19 0.25 -0.02 0.00 -2.04 0.00 0.00 64.05 62.06 1ba9 n THR 58 Cb 0.61 -1.52 0.05 0.00 -1.82 0.00 0.00 70.33 67.66 1ba9 n THR 58 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1ba9 h SER 59 N -0.16 -0.69 -1.40 8.00 0.02 -1.86 -3.41 113.55 114.06 1ba9 h SER 59 Ca 0.00 0.20 -0.76 0.00 -0.84 0.00 0.00 61.79 60.38 1ba9 h SER 59 Cb 0.16 0.42 0.03 0.00 0.14 0.00 0.00 62.40 63.14 1ba9 h SER 59 CO 0.00 -0.23 0.68 0.00 -1.14 0.00 0.00 176.83 176.14 1ba9 n ALA 60 N -3.08 -0.97 -1.00 3.77 0.00 -1.26 -4.88 120.51 113.09 1ba9 n ALA 60 Ca 0.07 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ba9 n ALA 60 Cb 0.33 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 3.53 -1.94 0.00 0.00 0.00 -0.10 -4.88 105.19 101.79 1ba9 n GLY 61 Ca 0.25 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.00 -0.31 -1.67 1.61 -0.04 -1.26 -4.23 135.00 128.11 1ba9 n PRO 62 Ca 0.00 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.97 1ba9 n PRO 62 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 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 -1.93 2.16 -2.02 0.54 8.25 -1.26 -1.73 115.22 119.24 1ba9 n HIS 63 Ca 0.00 0.26 -0.43 0.00 -0.26 0.00 0.00 57.72 57.29 1ba9 n HIS 63 Cb 0.00 -2.55 -0.03 0.00 1.12 0.00 0.00 29.99 28.54 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N 2.17 1.93 -0.38 4.41 5.36 -0.79 -4.74 117.98 125.93 1ba9 s PHE 64 Ca 0.86 0.43 0.02 0.00 -0.96 0.00 0.00 56.93 57.29 1ba9 s PHE 64 Cb -0.76 -4.00 0.16 0.00 -0.34 0.00 0.00 43.02 38.08 1ba9 s PHE 64 CO 0.46 -3.35 0.32 1.21 -1.46 0.00 0.00 175.22 172.40 1ba9 s ASN 65 N 4.59 1.82 0.06 6.13 3.04 -1.26 -2.57 114.94 126.75 1ba9 s ASN 65 Ca 0.76 -2.37 -0.15 0.00 0.04 0.00 0.00 52.86 51.14 1ba9 s ASN 65 Cb -0.28 -0.10 -0.26 0.00 -1.54 0.00 0.00 41.25 39.07 1ba9 s ASN 65 CO 0.31 -0.24 1.14 1.55 -3.04 0.00 0.00 177.10 176.82 1ba9 h PRO 66 N 6.42 0.64 0.00 0.43 0.13 -1.95 -3.42 132.00 134.25 1ba9 h PRO 66 Ca 0.13 -0.75 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1ba9 h PRO 66 Cb 0.97 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ba9 h PRO 66 CO 0.27 1.32 -0.01 1.47 -0.23 0.00 0.00 178.00 180.83 1ba9 n LEU 67 N -3.88 0.00 -2.22 1.56 -0.00 -1.26 -5.00 117.00 106.20 1ba9 n LEU 67 Ca -0.12 -0.83 -0.26 0.00 -0.00 0.00 0.00 56.01 54.80 1ba9 n LEU 67 Cb 0.90 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.36 1ba9 n LEU 67 CO 0.56 0.81 1.38 -1.20 -0.00 0.00 0.00 177.39 178.94 1ba9 n SER 68 N 0.00 6.99 0.00 1.45 7.64 -1.26 -5.00 113.62 123.44 1ba9 n SER 68 Ca 0.00 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.48 1ba9 n SER 68 Cb 0.50 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1ba9 n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ba9 n ARG 69 N -0.08 0.00 -2.40 1.43 1.74 -1.26 -3.15 116.66 112.94 1ba9 n ARG 69 Ca 0.46 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.29 1ba9 n ARG 69 Cb 0.57 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 32.14 1ba9 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ba9 s LYS 70 N 0.00 1.35 0.57 5.56 1.02 -1.26 -4.78 119.74 122.20 1ba9 s LYS 70 Ca 0.00 -0.92 -0.20 0.00 0.02 0.00 0.00 55.97 54.86 1ba9 s LYS 70 Cb 0.00 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1ba9 s LYS 70 CO 0.00 -1.75 1.31 -1.58 -0.92 0.00 0.00 175.35 172.41 1ba9 s HIS 71 N -3.37 2.29 0.00 3.18 5.65 -0.15 -2.36 115.29 120.53 1ba9 s HIS 71 Ca 0.69 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.43 1ba9 s HIS 71 Cb -0.05 -3.70 0.00 0.00 -1.18 0.00 0.00 32.58 27.65 1ba9 s HIS 71 CO 0.47 -2.71 0.00 0.41 -0.65 0.00 0.00 174.74 172.25 1ba9 n GLY 72 N 0.72 1.60 3.36 1.59 0.00 -1.24 -4.18 105.19 107.04 1ba9 n GLY 72 Ca 0.12 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.33 1.88 0.51 -0.02 0.00 -1.11 -4.48 107.32 103.77 1ba9 s GLY 73 Ca 0.00 -1.80 0.18 0.00 0.00 0.00 0.00 44.72 43.10 1ba9 s GLY 73 CO 0.00 -1.26 2.10 -0.56 0.00 0.00 0.00 173.10 173.38 1ba9 h PRO 74 N 2.17 0.05 0.00 2.90 0.13 -1.86 0.50 132.00 135.89 1ba9 h PRO 74 Ca -0.27 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1ba9 h PRO 74 Cb 1.24 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ba9 h PRO 74 CO 0.39 0.03 -0.05 1.57 -0.23 0.00 0.00 178.00 179.71 1ba9 h LYS 75 N 0.05 0.00 -6.21 0.86 2.10 -1.97 -3.45 116.57 107.96 1ba9 h LYS 75 Ca 0.09 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.25 1ba9 h LYS 75 Cb 0.28 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.57 1ba9 h LYS 75 CO -0.01 0.05 -0.44 -0.51 -2.00 0.00 0.00 179.45 176.54 1ba9 s ASP 76 N -5.81 5.41 0.20 7.07 1.11 0.16 -5.04 116.67 119.78 1ba9 s ASP 76 Ca 0.01 -0.42 0.11 0.00 0.18 0.00 0.00 52.55 52.42 1ba9 s ASP 76 Cb 0.09 -1.06 -0.06 0.00 1.07 0.00 0.00 42.92 42.96 1ba9 s ASP 76 CO 0.56 -0.32 1.37 -0.33 1.18 0.00 0.00 175.17 177.62 1ba9 h GLU 77 N 1.23 0.00 -6.58 8.23 5.08 -1.87 -3.43 114.58 117.24 1ba9 h GLU 77 Ca -0.45 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.39 1ba9 h GLU 77 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1ba9 h GLU 77 CO 0.58 0.76 0.12 -1.21 -1.00 0.00 0.00 179.01 178.26 1ba9 s GLU 78 N -2.85 4.28 0.00 2.33 2.02 -1.26 -5.03 118.70 118.19 1ba9 s GLU 78 Ca 0.02 0.90 0.00 0.00 0.02 0.00 0.00 54.97 55.91 1ba9 s GLU 78 Cb 0.09 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1ba9 s GLU 78 CO 0.78 0.39 0.00 2.89 0.02 0.00 0.00 175.26 179.35 1ba9 n ARG 79 N 0.74 0.00 -0.66 1.61 1.85 -1.00 -2.75 116.66 116.46 1ba9 n ARG 79 Ca -0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.58 1ba9 n ARG 79 Cb 0.51 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.13 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 -3.66 0.02 2.89 8.25 -1.19 -4.63 115.22 116.91 1ba9 n HIS 80 Ca 0.00 -0.77 -0.10 0.00 -0.26 0.00 0.00 57.72 56.59 1ba9 n HIS 80 Cb 0.00 -0.95 -0.04 0.00 1.12 0.00 0.00 29.99 30.12 1ba9 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ba9 h VAL 81 N -2.75 0.63 -2.24 1.59 2.07 -1.74 -3.14 116.25 110.67 1ba9 h VAL 81 Ca -0.33 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.54 1ba9 h VAL 81 Cb 1.04 0.63 -0.38 0.00 -1.52 0.00 0.00 31.29 31.07 1ba9 h VAL 81 CO 0.21 0.00 -0.18 0.61 0.02 0.00 0.00 177.57 178.24 1ba9 n GLY 82 N -1.28 5.77 2.75 2.17 0.00 -1.25 -4.83 105.19 108.52 1ba9 n GLY 82 Ca -0.04 -2.73 -0.32 0.00 0.00 0.00 0.00 46.02 42.93 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 83 N -0.21 4.27 -2.25 1.61 2.03 -1.19 -0.41 116.55 120.39 1ba9 n ASP 83 Ca 0.36 -3.34 -0.20 0.00 0.52 0.00 0.00 54.79 52.13 1ba9 n ASP 83 Cb 0.36 -0.88 -0.11 0.00 -0.72 0.00 0.00 41.12 39.78 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 84 N 1.40 5.87 0.00 -2.67 4.77 -0.93 -4.32 117.00 121.12 1ba9 n LEU 84 Ca 0.26 -3.63 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 1ba9 n LEU 84 Cb 0.38 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1ba9 n LEU 84 CO 0.44 1.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.82 1ba9 n GLY 85 N 1.66 0.82 3.24 -0.72 0.00 -1.25 -4.44 105.19 104.49 1ba9 n GLY 85 Ca 0.46 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.69 1.19 0.30 1.61 2.20 -1.26 -0.22 114.94 117.08 1ba9 s ASN 86 Ca 0.00 -1.17 0.11 0.00 -0.94 0.00 0.00 52.86 50.85 1ba9 s ASN 86 Cb 0.00 0.12 -0.05 0.00 -2.00 0.00 0.00 41.25 39.32 1ba9 s ASN 86 CO 0.00 -0.57 -0.14 0.68 -2.94 0.00 0.00 177.10 174.13 1ba9 s VAL 87 N -3.67 2.48 -0.20 3.54 -7.23 0.36 -4.83 120.40 110.86 1ba9 s VAL 87 Ca 0.24 -2.28 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 1ba9 s VAL 87 Cb 0.06 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1ba9 s VAL 87 CO 0.04 -0.32 0.00 -0.89 -0.31 0.00 0.00 175.10 173.62 1ba9 s THR 88 N -2.53 4.01 0.06 5.32 2.01 -1.26 -0.47 115.64 122.77 1ba9 s THR 88 Ca 0.31 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 1ba9 s THR 88 Cb -0.02 -2.81 -0.06 0.00 0.01 0.00 0.00 72.50 69.62 1ba9 s THR 88 CO 0.16 0.43 0.37 0.00 -0.69 0.00 0.00 174.62 174.89 1ba9 s ALA 89 N 0.92 3.76 1.06 7.40 0.00 0.44 -4.12 121.76 131.21 1ba9 s ALA 89 Ca 0.01 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 1ba9 s ALA 89 Cb -0.14 -2.22 0.22 0.00 0.00 0.00 0.00 23.12 20.97 1ba9 s ALA 89 CO 0.02 0.58 1.11 -0.51 0.00 0.00 0.00 175.76 176.97 1ba9 s ASP 90 N -1.74 2.15 0.62 0.00 1.11 0.49 -2.75 116.67 116.55 1ba9 s ASP 90 Ca 0.32 0.93 0.32 0.00 0.18 0.00 0.00 52.55 54.29 1ba9 s ASP 90 Cb -0.14 -1.42 1.77 0.00 1.07 0.00 0.00 42.92 44.20 1ba9 s ASP 90 CO 0.18 -3.39 2.08 0.07 1.18 0.00 0.00 175.17 175.29 1ba9 h LYS 91 N -2.08 0.00 -0.04 8.23 2.10 -1.94 0.12 116.57 122.96 1ba9 h LYS 91 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 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 0.50 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.70 1ba9 n ASP 92 N -3.43 1.96 -2.16 7.07 8.00 -1.26 -4.75 116.55 121.98 1ba9 n ASP 92 Ca 0.00 -1.66 -0.12 0.00 0.71 0.00 0.00 54.79 53.72 1ba9 n ASP 92 Cb 0.32 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ba9 n GLY 93 N 1.23 0.14 3.17 0.44 0.00 0.41 -4.65 105.19 105.92 1ba9 n GLY 93 Ca 0.18 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.17 2.40 -0.39 1.61 1.01 -1.26 -0.83 120.40 119.78 1ba9 s VAL 94 Ca 0.27 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1ba9 s VAL 94 Cb -0.12 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.27 1ba9 s VAL 94 CO 0.39 0.48 0.20 0.00 0.00 0.00 0.00 175.10 176.17 1ba9 s ALA 95 N 1.33 3.19 -0.67 5.51 0.00 -1.25 -0.38 121.76 129.49 1ba9 s ALA 95 Ca 0.05 -2.02 -0.25 0.00 0.00 0.00 0.00 51.96 49.74 1ba9 s ALA 95 Cb -0.14 -2.49 0.05 0.00 0.00 0.00 0.00 23.12 20.54 1ba9 s ALA 95 CO -0.10 -1.54 1.10 -0.51 0.00 0.00 0.00 175.76 174.71 1ba9 s ASP 96 N 1.81 6.21 0.36 0.00 1.01 -1.26 -2.09 116.67 122.72 1ba9 s ASP 96 Ca 0.02 -0.61 -0.24 0.00 0.71 0.00 0.00 52.55 52.43 1ba9 s ASP 96 Cb -0.22 -2.48 -0.10 0.00 1.01 0.00 0.00 42.92 41.13 1ba9 s ASP 96 CO 0.02 -1.56 0.96 -0.69 0.21 0.00 0.00 175.17 174.11 1ba9 s VAL 97 N 4.74 4.22 -0.39 -1.27 1.01 0.23 -4.88 120.40 124.07 1ba9 s VAL 97 Ca 0.30 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.94 1ba9 s VAL 97 Cb -0.12 -3.85 0.19 0.00 0.00 0.00 0.00 36.38 32.60 1ba9 s VAL 97 CO 0.14 -0.02 0.90 -0.94 0.00 0.00 0.00 175.10 175.18 1ba9 s SER 98 N -1.80 -0.83 0.32 3.32 1.04 -1.24 -1.67 113.70 112.84 1ba9 s SER 98 Ca 0.55 -0.69 0.05 0.00 0.48 0.00 0.00 55.95 56.34 1ba9 s SER 98 Cb -0.16 1.07 -0.03 0.00 0.10 0.00 0.00 66.02 67.00 1ba9 s SER 98 CO 0.21 -0.06 0.22 -0.51 0.98 0.00 0.00 173.24 174.07 1ba9 s ILE 99 N 1.44 0.12 -0.05 -1.02 2.07 0.32 -5.01 121.20 119.06 1ba9 s ILE 99 Ca 0.21 -2.00 -0.09 0.00 -1.41 0.00 0.00 60.65 57.35 1ba9 s ILE 99 Cb 0.03 -2.48 0.02 0.00 0.13 0.00 0.00 42.46 40.16 1ba9 s ILE 99 CO -0.10 0.00 0.23 -1.83 -1.91 0.00 0.00 174.94 171.33 1ba9 s GLU 100 N -3.64 0.41 -0.02 3.50 -1.05 -1.26 -0.42 118.70 116.21 1ba9 s GLU 100 Ca 0.38 0.06 0.03 0.00 -0.15 0.00 0.00 54.97 55.29 1ba9 s GLU 100 Cb 0.03 0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1ba9 s GLU 100 CO 0.22 -0.08 -0.10 -0.51 0.95 0.00 0.00 175.26 175.74 1ba9 s ASP 101 N -0.51 1.32 0.07 0.83 1.01 0.07 -4.96 116.67 114.50 1ba9 s ASP 101 Ca -0.06 -0.20 0.21 0.00 0.71 0.00 0.00 52.55 53.20 1ba9 s ASP 101 Cb -0.04 -0.28 -0.15 0.00 1.01 0.00 0.00 42.92 43.46 1ba9 s ASP 101 CO 0.01 0.10 0.75 -1.54 0.21 0.00 0.00 175.17 174.70 1ba9 n SER 102 N 3.11 0.55 -0.03 0.27 3.41 -1.26 -0.45 113.62 119.22 1ba9 n SER 102 Ca -0.17 0.22 -0.01 0.00 -0.26 0.00 0.00 58.87 58.66 1ba9 n SER 102 Cb 0.55 0.85 -0.00 0.00 -0.26 0.00 0.00 64.21 65.34 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 0.01 -4.24 -3.33 2.07 -1.96 -3.44 116.25 105.36 1ba9 h VAL 103 Ca -0.09 -0.97 -0.50 0.00 0.82 0.00 0.00 66.70 65.96 1ba9 h VAL 103 Cb 1.25 0.02 0.13 0.00 -1.52 0.00 0.00 31.29 31.17 1ba9 h VAL 103 CO 0.01 0.00 0.30 0.27 0.02 0.00 0.00 177.57 178.18 1ba9 s ILE 104 N -1.71 3.16 0.13 4.57 -5.25 -1.26 -4.93 121.20 115.91 1ba9 s ILE 104 Ca -0.01 0.38 -0.03 0.00 -0.99 0.00 0.00 60.65 60.00 1ba9 s ILE 104 Cb 0.00 -2.90 0.01 0.00 2.95 0.00 0.00 42.46 42.52 1ba9 s ILE 104 CO 0.02 -0.49 0.22 -1.20 -1.79 0.00 0.00 174.94 171.70 1ba9 n SER 105 N -3.60 -0.62 -0.89 4.36 7.64 -0.62 -4.58 113.62 115.31 1ba9 n SER 105 Ca 0.08 -1.62 0.07 0.00 1.01 0.00 0.00 58.87 58.41 1ba9 n SER 105 Cb 0.54 1.09 0.21 0.00 -1.01 0.00 0.00 64.21 65.04 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 2.58 0.00 -3.43 4.32 -1.26 -0.70 117.00 118.51 1ba9 n LEU 106 Ca -0.01 -1.29 0.00 0.00 -0.02 0.00 0.00 56.01 54.69 1ba9 n LEU 106 Cb 0.21 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 1ba9 n LEU 106 CO 0.10 0.61 0.00 -1.54 -1.22 0.00 0.00 177.39 175.34 1ba9 n SER 107 N 0.83 0.00 0.00 -1.43 3.41 -1.26 -4.70 113.62 110.48 1ba9 n SER 107 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1ba9 n SER 107 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ba9 n GLY 108 N 0.00 1.88 1.12 5.00 0.00 -1.26 -2.67 105.19 109.26 1ba9 n GLY 108 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 109 N 3.51 -1.59 -2.03 1.61 2.03 -1.26 -4.95 116.55 113.87 1ba9 n ASP 109 Ca 0.00 0.51 -0.02 0.00 0.52 0.00 0.00 54.79 55.80 1ba9 n ASP 109 Cb 0.00 1.72 -0.03 0.00 -0.72 0.00 0.00 41.12 42.09 1ba9 n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ba9 n HIS 110 N -2.87 0.00 -1.82 -0.67 1.44 -1.24 -4.85 115.22 105.21 1ba9 n HIS 110 Ca 0.00 -0.44 -0.43 0.00 -2.01 0.00 0.00 57.72 54.84 1ba9 n HIS 110 Cb 0.00 -0.55 -0.03 0.00 0.12 0.00 0.00 29.99 29.53 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1ba9 s SER 111 N 2.27 5.74 0.53 4.39 0.15 -1.09 -1.59 113.70 124.10 1ba9 s SER 111 Ca 0.10 1.64 0.30 0.00 0.70 0.00 0.00 55.95 58.69 1ba9 s SER 111 Cb 0.05 -2.52 1.46 0.00 -1.71 0.00 0.00 66.02 63.30 1ba9 s SER 111 CO 0.00 -1.77 2.05 0.16 1.20 0.00 0.00 173.24 174.87 1ba9 h ILE 112 N 6.89 0.38 -2.05 6.45 -2.65 -1.21 -3.42 117.51 121.89 1ba9 h ILE 112 Ca -0.38 -0.58 -0.59 0.00 1.03 0.00 0.00 64.86 64.35 1ba9 h ILE 112 Cb 1.20 1.42 0.01 0.00 -2.05 0.00 0.00 36.82 37.40 1ba9 h ILE 112 CO 0.99 0.10 1.26 -0.38 0.03 0.00 0.00 178.15 180.15 1ba9 n ILE 113 N -3.41 0.57 -1.85 0.16 2.08 -1.26 -1.20 119.36 114.44 1ba9 n ILE 113 Ca -0.01 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1ba9 n ILE 113 Cb 0.27 -2.16 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 4.92 0.89 3.24 7.39 0.00 -0.04 -5.02 105.19 116.58 1ba9 n GLY 114 Ca 0.25 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 1ba9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 s ARG 115 N -3.67 1.02 0.04 1.61 1.81 -0.34 -4.29 118.95 115.12 1ba9 s ARG 115 Ca 0.00 -1.16 -0.27 0.00 -1.72 0.00 0.00 55.73 52.58 1ba9 s ARG 115 Cb 0.00 -1.04 -0.05 0.00 -0.45 0.00 0.00 34.95 33.41 1ba9 s ARG 115 CO 0.00 0.22 0.84 0.99 -0.68 0.00 0.00 175.30 176.67 1ba9 s THR 116 N -1.67 4.73 0.09 0.02 2.01 0.11 -0.76 115.64 120.18 1ba9 s THR 116 Ca 0.06 1.79 -0.05 0.00 0.31 0.00 0.00 61.69 63.79 1ba9 s THR 116 Cb -0.08 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 1ba9 s THR 116 CO 0.03 0.31 0.34 -0.76 -0.69 0.00 0.00 174.62 173.85 1ba9 s LEU 117 N 0.24 4.31 0.01 4.42 1.02 0.49 -0.37 118.68 128.80 1ba9 s LEU 117 Ca 0.43 0.58 0.01 0.00 0.02 0.00 0.00 54.13 55.17 1ba9 s LEU 117 Cb -0.21 -3.09 -0.01 0.00 0.02 0.00 0.00 46.19 42.91 1ba9 s LEU 117 CO 0.25 0.13 -0.04 -0.69 0.02 0.00 0.00 176.35 176.02 1ba9 s VAL 118 N -1.52 0.27 -0.20 -1.59 1.01 0.18 -0.59 120.40 117.95 1ba9 s VAL 118 Ca 0.36 -0.36 0.15 0.00 0.00 0.00 0.00 61.98 62.13 1ba9 s VAL 118 Cb -0.13 -0.27 -0.21 0.00 0.00 0.00 0.00 36.38 35.77 1ba9 s VAL 118 CO 0.22 -0.07 0.40 0.55 0.00 0.00 0.00 175.10 176.20 1ba9 n VAL 119 N 2.61 0.00 -1.53 2.92 3.14 -1.18 -0.71 118.33 123.59 1ba9 n VAL 119 Ca -0.15 -0.29 0.11 0.00 -2.96 0.00 0.00 64.34 61.04 1ba9 n VAL 119 Cb 0.58 0.40 -0.06 0.00 -1.06 0.00 0.00 33.84 33.70 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 -1.82 -4.11 0.02 1.45 8.25 -1.11 -1.80 115.22 116.11 1ba9 n HIS 120 Ca -0.01 2.25 -0.17 0.00 -0.26 0.00 0.00 57.72 59.53 1ba9 n HIS 120 Cb 0.34 -3.61 -0.06 0.00 1.12 0.00 0.00 29.99 27.77 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 -0.81 0.65 0.00 -0.41 4.81 -1.00 -3.38 114.58 114.45 1ba9 h GLU 121 Ca -0.12 -0.61 -0.55 0.00 -0.13 0.00 0.00 59.36 57.95 1ba9 h GLU 121 Cb 1.24 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1ba9 h GLU 121 CO 0.05 1.22 -0.24 1.63 -0.73 0.00 0.00 179.01 180.94 1ba9 n LYS 122 N -3.87 0.69 -0.78 1.92 4.76 -1.12 -4.94 118.16 114.82 1ba9 n LYS 122 Ca -0.08 -3.31 -0.31 0.00 -2.87 0.00 0.00 58.31 51.74 1ba9 n LYS 122 Cb 0.80 0.27 0.16 0.00 -1.84 0.00 0.00 35.03 34.42 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 -2.76 1.50 -0.23 7.82 0.00 -0.95 -1.22 121.76 125.92 1ba9 s ALA 123 Ca 0.35 0.51 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1ba9 s ALA 123 Cb -0.03 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1ba9 s ALA 123 CO 0.22 -2.67 0.09 0.16 0.00 0.00 0.00 175.76 173.56 1ba9 s ASP 124 N -2.78 5.46 0.00 0.00 -4.77 -1.26 -3.95 116.67 109.37 1ba9 s ASP 124 Ca 0.66 -0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.84 1ba9 s ASP 124 Cb -0.22 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 39.64 1ba9 s ASP 124 CO 0.58 0.03 0.32 0.47 0.70 0.00 0.00 175.17 177.27 1ba9 n ASP 125 N 4.47 0.44 -4.47 2.11 8.00 0.54 -4.78 116.55 122.87 1ba9 n ASP 125 Ca -0.16 -1.08 -0.40 0.00 0.71 0.00 0.00 54.79 53.86 1ba9 n ASP 125 Cb 0.52 -0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.32 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ba9 n LEU 126 N 0.10 -0.99 -0.20 0.64 4.77 -1.26 -0.51 117.00 119.54 1ba9 n LEU 126 Ca 0.00 -1.22 -0.03 0.00 -0.03 0.00 0.00 56.01 54.74 1ba9 n LEU 126 Cb 0.11 -1.67 -0.01 0.00 -2.33 0.00 0.00 43.42 39.51 1ba9 n LEU 126 CO 0.00 0.18 -0.03 0.61 -1.33 0.00 0.00 177.39 176.82 1ba9 n GLY 127 N -1.32 0.47 0.70 -0.72 0.00 -1.25 -4.25 105.19 98.82 1ba9 n GLY 127 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.26 1.94 -0.00 1.61 4.76 0.33 -3.98 118.16 121.55 1ba9 n LYS 128 Ca -0.03 -1.19 0.15 0.00 -2.87 0.00 0.00 58.31 54.37 1ba9 n LYS 128 Cb 0.30 -1.37 0.74 0.00 -1.84 0.00 0.00 35.03 32.85 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ba9 n GLY 129 N 0.85 -0.52 3.56 0.72 0.00 -1.26 -4.93 105.19 103.61 1ba9 n GLY 129 Ca 0.11 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1ba9 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 130 N 1.08 -0.52 3.29 -0.02 0.00 -1.26 -4.96 105.19 102.80 1ba9 n GLY 130 Ca 0.21 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ba9 s ASN 131 N -3.14 -0.51 0.17 1.61 2.47 -1.26 -5.05 114.94 109.23 1ba9 s ASN 131 Ca 0.54 0.89 -0.22 0.00 0.42 0.00 0.00 52.86 54.49 1ba9 s ASN 131 Cb -0.25 0.81 0.06 0.00 -1.45 0.00 0.00 41.25 40.41 1ba9 s ASN 131 CO 0.67 -0.18 1.39 -0.62 -3.72 0.00 0.00 177.10 174.64 1ba9 n GLU 132 N 3.91 -0.31 -0.28 0.43 1.02 -1.26 0.02 120.64 124.17 1ba9 n GLU 132 Ca -0.21 1.37 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 1ba9 n GLU 132 Cb 0.56 -2.02 0.13 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.81 -0.18 3.49 -0.00 -1.97 0.18 115.11 117.43 1ba9 h GLN 133 Ca 0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.82 1ba9 h GLN 133 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 1ba9 h GLN 133 CO -0.87 0.53 0.09 0.66 0.00 0.00 0.00 178.83 179.25 1ba9 h SER 134 N 0.83 0.24 0.13 -0.69 4.64 -0.93 0.52 113.55 118.29 1ba9 h SER 134 Ca 0.35 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1ba9 h SER 134 Cb 0.21 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ba9 h SER 134 CO -0.19 0.27 0.00 0.35 -0.87 0.00 0.00 176.83 176.40 1ba9 n THR 135 N -4.89 0.11 -0.09 2.95 -2.24 0.10 0.68 114.28 110.90 1ba9 n THR 135 Ca -0.04 0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1ba9 n THR 135 Cb 0.09 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.09 0.90 0.00 -0.78 4.81 0.49 -0.97 118.16 121.51 1ba9 n LYS 136 Ca 0.15 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1ba9 n LYS 136 Cb 0.11 -1.38 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 -2.37 1.17 0.00 0.00 177.40 176.20 1ba9 n THR 137 N -2.86 0.00 -0.85 3.15 5.66 0.18 -4.50 114.28 115.05 1ba9 n THR 137 Ca -0.30 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1ba9 n THR 137 Cb 0.90 0.48 0.00 0.00 -1.55 0.00 0.00 70.33 70.16 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 0.52 0.86 2.50 1.09 0.00 0.21 -4.29 105.19 106.08 1ba9 n GLY 138 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.14 -4.51 0.22 1.61 5.15 -1.25 -0.33 115.26 117.28 1ba9 n ASN 139 Ca 0.00 0.01 0.09 0.00 -0.60 0.00 0.00 54.58 54.08 1ba9 n ASN 139 Cb 0.14 -2.03 0.48 0.00 -0.53 0.00 0.00 39.78 37.83 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 0.00 1.07 0.00 5.20 0.00 -1.75 -3.49 119.26 120.29 1ba9 h ALA 140 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ba9 h ALA 140 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ba9 h ALA 140 CO 0.01 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1ba9 n GLY 141 N 0.01 0.38 3.59 0.00 0.00 -1.26 -2.80 105.19 105.10 1ba9 n GLY 141 Ca -0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1ba9 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ba9 s SER 142 N -4.00 1.51 -0.81 1.61 1.04 -1.26 -4.68 113.70 107.11 1ba9 s SER 142 Ca 0.00 1.06 -0.15 0.00 0.48 0.00 0.00 55.95 57.34 1ba9 s SER 142 Cb 0.00 -1.62 0.20 0.00 0.10 0.00 0.00 66.02 64.70 1ba9 s SER 142 CO 0.00 -3.81 0.79 -0.13 0.98 0.00 0.00 173.24 171.08 1ba9 s ARG 143 N -4.99 3.55 0.21 4.02 0.52 -1.26 -0.51 118.95 120.49 1ba9 s ARG 143 Ca 0.68 -2.29 -0.14 0.00 -0.52 0.00 0.00 55.73 53.45 1ba9 s ARG 143 Cb -0.17 -4.47 0.23 0.00 0.52 0.00 0.00 34.95 31.06 1ba9 s ARG 143 CO 0.59 -1.36 1.62 1.25 0.02 0.00 0.00 175.30 177.42 1ba9 h LEU 144 N 8.24 -0.67 -8.36 2.53 6.46 -1.92 -3.44 115.31 118.15 1ba9 h LEU 144 Ca 0.07 0.20 -0.16 0.00 -0.12 0.00 0.00 57.88 57.87 1ba9 h LEU 144 Cb 1.04 0.42 -0.14 0.00 -0.73 0.00 0.00 40.66 41.26 1ba9 h LEU 144 CO 0.83 -0.23 -0.49 0.00 -0.62 0.00 0.00 178.44 177.93 1ba9 s ALA 145 N -6.21 0.59 0.11 1.25 0.00 -1.26 -3.61 121.76 112.63 1ba9 s ALA 145 Ca -0.14 -1.31 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1ba9 s ALA 145 Cb 0.19 1.05 0.04 0.00 0.00 0.00 0.00 23.12 24.40 1ba9 s ALA 145 CO 0.73 -0.60 0.46 0.00 0.00 0.00 0.00 175.76 176.35 1ba9 s GLY 147 N -2.57 0.28 -0.06 0.00 0.00 0.25 -0.81 107.32 104.40 1ba9 s GLY 147 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 44.72 44.13 1ba9 s GLY 147 CO -0.10 -0.32 -0.21 0.14 0.00 0.00 0.00 173.10 172.61 1ba9 s VAL 148 N -3.39 1.77 -0.21 1.40 1.01 -1.26 -0.38 120.40 119.34 1ba9 s VAL 148 Ca 0.16 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 1ba9 s VAL 148 Cb -0.04 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1ba9 s VAL 148 CO 0.10 0.50 0.71 -0.63 0.00 0.00 0.00 175.10 175.77 1ba9 s ILE 149 N 0.07 4.95 0.17 2.22 1.01 0.06 -3.97 121.20 125.71 1ba9 s ILE 149 Ca -0.07 1.34 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1ba9 s ILE 149 Cb -0.14 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1ba9 s ILE 149 CO 0.04 0.05 0.22 0.61 0.00 0.00 0.00 174.94 175.86 1ba9 n GLY 150 N 3.76 2.84 3.77 6.18 0.00 -0.08 -0.86 105.19 120.80 1ba9 n GLY 150 Ca 0.01 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 1ba9 n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ba9 s ILE 151 N -2.63 2.75 -1.11 -0.61 1.01 -1.26 -0.49 121.20 118.85 1ba9 s ILE 151 Ca 0.16 0.63 -0.05 0.00 0.00 0.00 0.00 60.65 61.39 1ba9 s ILE 151 Cb -0.00 -3.35 0.29 0.00 0.01 0.00 0.00 42.46 39.40 1ba9 s ILE 151 CO 0.11 0.06 1.56 0.00 0.00 0.00 0.00 174.94 176.67 1ba9 n ALA 152 N -0.12 5.24 -1.55 9.38 0.00 0.55 -4.63 120.51 129.38 1ba9 n ALA 152 Ca 0.05 -4.72 0.00 0.00 0.00 0.00 0.00 53.44 48.77 1ba9 n ALA 152 Cb 0.45 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1ba9 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54