#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 0.00 -0.46 0.00 2.01 -0.85 -4.81 115.64 111.53 1ba9 s THR 2 Ca 0.00 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1ba9 s THR 2 Cb 0.00 -1.00 0.19 0.00 0.01 0.00 0.00 72.50 71.70 1ba9 s THR 2 CO 0.00 0.00 0.74 -1.59 -0.69 0.00 0.00 174.62 173.08 1ba9 s LYS 3 N 0.74 0.87 0.35 4.92 -2.85 -1.23 -3.49 119.74 119.06 1ba9 s LYS 3 Ca -0.02 -0.65 0.09 0.00 -1.00 0.00 0.00 55.97 54.38 1ba9 s LYS 3 Cb -0.05 0.01 -0.06 0.00 -2.06 0.00 0.00 37.83 35.68 1ba9 s LYS 3 CO -0.10 -1.14 -0.00 0.00 0.10 0.00 0.00 175.35 174.21 1ba9 s ALA 4 N 1.30 3.17 0.01 0.59 0.00 -0.24 -0.98 121.76 125.61 1ba9 s ALA 4 Ca 0.24 -2.05 0.01 0.00 0.00 0.00 0.00 51.96 50.16 1ba9 s ALA 4 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1ba9 s ALA 4 CO -0.07 0.03 -0.03 0.54 0.00 0.00 0.00 175.76 176.24 1ba9 s VAL 5 N -2.57 0.17 -0.24 0.00 0.11 0.57 -0.50 120.40 117.95 1ba9 s VAL 5 Ca 0.35 -0.45 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1ba9 s VAL 5 Cb 0.02 -0.22 0.07 0.00 -1.53 0.00 0.00 36.38 34.72 1ba9 s VAL 5 CO 0.19 -0.18 -0.01 0.00 -3.33 0.00 0.00 175.10 171.77 1ba9 s ALA 6 N -0.65 1.67 -0.97 1.54 0.00 0.19 -0.78 121.76 122.76 1ba9 s ALA 6 Ca -0.06 -1.25 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 1ba9 s ALA 6 Cb -0.05 -1.40 0.07 0.00 0.00 0.00 0.00 23.12 21.74 1ba9 s ALA 6 CO -0.00 -1.26 1.33 0.14 0.00 0.00 0.00 175.76 175.97 1ba9 s VAL 7 N 1.53 4.17 0.34 0.00 -7.23 -1.26 -0.81 120.40 117.15 1ba9 s VAL 7 Ca -0.02 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1ba9 s VAL 7 Cb -0.18 -4.96 -0.12 0.00 0.56 0.00 0.00 36.38 31.68 1ba9 s VAL 7 CO -0.09 -1.79 1.46 0.18 -0.31 0.00 0.00 175.10 174.54 1ba9 n LEU 8 N 8.17 4.27 -3.79 1.32 4.32 0.99 -4.35 117.00 127.94 1ba9 n LEU 8 Ca 0.28 1.20 -0.13 0.00 -0.02 0.00 0.00 56.01 57.34 1ba9 n LEU 8 Cb 0.50 -1.57 -0.11 0.00 -1.62 0.00 0.00 43.42 40.62 1ba9 n LEU 8 CO 0.61 -0.05 -0.08 -0.75 -1.22 0.00 0.00 177.39 175.91 1ba9 s LYS 9 N -1.60 0.34 0.01 3.23 2.36 0.28 -0.62 119.74 123.74 1ba9 s LYS 9 Ca 0.57 0.26 0.00 0.00 -2.55 0.00 0.00 55.97 54.25 1ba9 s LYS 9 Cb -0.52 0.16 0.00 0.00 -1.05 0.00 0.00 37.83 36.43 1ba9 s LYS 9 CO 0.59 -0.05 0.00 0.41 1.55 0.00 0.00 175.35 177.85 1ba9 n GLY 10 N 2.71 3.65 0.26 5.54 0.00 0.55 -0.91 105.19 116.99 1ba9 n GLY 10 Ca -0.14 -2.19 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 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 0.02 0.57 -0.14 1.61 1.82 -1.88 -3.44 116.42 114.98 1ba9 h ASP 11 Ca -0.01 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1ba9 h ASP 11 Cb 0.02 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.95 1ba9 h ASP 11 CO 0.01 0.37 0.00 0.61 -1.61 0.00 0.00 179.24 178.62 1ba9 n GLY 12 N -1.29 1.24 0.04 -0.78 0.00 -1.26 -4.94 105.19 98.19 1ba9 n GLY 12 Ca 0.09 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 0.09 -1.37 1.61 -0.04 -1.26 -4.85 135.00 129.18 1ba9 n PRO 13 Ca 0.00 0.10 -0.58 0.00 -0.04 0.00 0.00 63.50 62.98 1ba9 n PRO 13 Cb 0.00 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.75 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 -1.77 0.07 -4.22 0.52 0.31 -1.25 -4.78 118.33 107.22 1ba9 n VAL 14 Ca 0.06 -0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 64.14 1ba9 n VAL 14 Cb 0.36 -0.87 -0.11 0.00 -0.91 0.00 0.00 33.84 32.30 1ba9 n VAL 14 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1ba9 s GLN 15 N 5.70 0.95 -0.24 5.55 0.74 -0.42 -0.33 119.66 131.60 1ba9 s GLN 15 Ca 1.15 -1.18 -0.04 0.00 0.05 0.00 0.00 55.36 55.34 1ba9 s GLN 15 Cb -1.29 -0.80 0.13 0.00 1.10 0.00 0.00 33.01 32.15 1ba9 s GLN 15 CO 0.62 0.15 0.40 0.20 -0.55 0.00 0.00 175.29 176.12 1ba9 s GLY 16 N -2.36 -0.44 -1.08 2.59 0.00 0.21 0.36 107.32 106.60 1ba9 s GLY 16 Ca 0.07 1.11 -0.19 0.00 0.00 0.00 0.00 44.72 45.70 1ba9 s GLY 16 CO 0.02 2.66 1.42 -0.42 0.00 0.00 0.00 173.10 176.77 1ba9 s ILE 17 N 2.58 4.37 0.51 0.90 1.01 -1.19 -0.01 121.20 129.38 1ba9 s ILE 17 Ca 0.10 -1.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.04 1ba9 s ILE 17 Cb -0.15 -4.99 -0.08 0.00 0.01 0.00 0.00 42.46 37.26 1ba9 s ILE 17 CO -0.15 -1.78 1.00 -0.63 0.00 0.00 0.00 174.94 173.37 1ba9 s ILE 18 N 3.62 4.23 -0.09 2.92 -1.09 0.01 -3.36 121.20 127.44 1ba9 s ILE 18 Ca 0.43 1.18 -0.06 0.00 -2.23 0.00 0.00 60.65 59.98 1ba9 s ILE 18 Cb -0.01 -3.58 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1ba9 s ILE 18 CO -0.05 -0.51 0.21 0.20 -1.23 0.00 0.00 174.94 173.57 1ba9 s ASN 19 N -2.66 -0.22 -0.16 3.58 0.01 0.14 -0.64 114.94 114.99 1ba9 s ASN 19 Ca 0.62 0.44 0.01 0.00 -0.71 0.00 0.00 52.86 53.22 1ba9 s ASN 19 Cb -0.12 0.38 0.01 0.00 0.41 0.00 0.00 41.25 41.93 1ba9 s ASN 19 CO 0.27 -0.12 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.19 1ba9 s PHE 20 N 0.75 2.74 -0.03 2.20 0.40 0.35 -0.99 117.98 123.41 1ba9 s PHE 20 Ca -0.05 -1.40 0.05 0.00 -0.60 0.00 0.00 56.93 54.93 1ba9 s PHE 20 Cb -0.07 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 1ba9 s PHE 20 CO -0.04 -0.66 -0.18 -2.00 0.70 0.00 0.00 175.22 173.04 1ba9 s GLU 21 N 1.03 1.59 -0.49 0.44 2.12 -0.66 -1.08 118.70 121.65 1ba9 s GLU 21 Ca -0.01 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.74 1ba9 s GLU 21 Cb -0.14 -1.47 0.19 0.00 0.26 0.00 0.00 34.13 32.97 1ba9 s GLU 21 CO -0.06 0.33 0.76 -1.14 -0.54 0.00 0.00 175.26 174.61 1ba9 s GLN 22 N -0.23 0.97 0.39 4.30 0.74 -1.23 -0.55 119.66 124.05 1ba9 s GLN 22 Ca 0.02 -0.92 0.16 0.00 0.05 0.00 0.00 55.36 54.68 1ba9 s GLN 22 Cb -0.09 -0.03 0.80 0.00 1.10 0.00 0.00 33.01 34.79 1ba9 s GLN 22 CO 0.00 -1.21 1.84 -0.22 -0.55 0.00 0.00 175.29 175.16 1ba9 h LYS 23 N 5.08 0.00 -6.48 1.67 3.64 -1.89 -2.25 116.57 116.34 1ba9 h LYS 23 Ca 0.05 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.90 1ba9 h LYS 23 Cb 1.12 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1ba9 h LYS 23 CO 0.00 0.35 1.12 0.39 -2.27 0.00 0.00 179.45 179.04 1ba9 n GLU 24 N -3.94 2.76 -0.31 1.90 4.71 -1.26 -3.08 120.64 121.42 1ba9 n GLU 24 Ca -0.02 1.01 0.11 0.00 -0.01 0.00 0.00 57.16 58.25 1ba9 n GLU 24 Cb 0.41 -2.90 0.28 0.00 -1.01 0.00 0.00 31.44 28.21 1ba9 n GLU 24 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1ba9 h SER 25 N 8.78 0.51 -0.55 1.62 0.02 -1.97 -3.01 113.55 118.96 1ba9 h SER 25 Ca -0.47 0.12 -0.27 0.00 -0.84 0.00 0.00 61.79 60.33 1ba9 h SER 25 Cb 1.23 0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.41 1ba9 h SER 25 CO 0.95 0.14 -1.13 0.59 -1.14 0.00 0.00 176.83 176.24 1ba9 n ASN 26 N -4.92 1.57 -3.67 3.07 3.02 -1.26 -4.74 115.26 108.34 1ba9 n ASN 26 Ca 0.20 -2.17 -0.24 0.00 -0.03 0.00 0.00 54.58 52.34 1ba9 n ASN 26 Cb 0.55 -0.49 0.16 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.49 -1.17 3.77 7.41 0.00 -1.14 -5.07 105.19 108.50 1ba9 n GLY 27 Ca 0.08 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 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 -5.34 4.62 0.09 1.61 0.04 -1.26 -4.93 135.00 129.81 1ba9 s PRO 28 Ca 0.62 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.57 1ba9 s PRO 28 Cb -0.02 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 1ba9 s PRO 28 CO 0.43 0.56 1.62 0.08 0.04 0.00 0.00 177.00 179.73 1ba9 s VAL 29 N -1.14 3.00 -0.37 -0.36 1.01 0.39 -4.78 120.40 118.15 1ba9 s VAL 29 Ca 0.37 0.52 -0.25 0.00 0.00 0.00 0.00 61.98 62.62 1ba9 s VAL 29 Cb -0.24 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1ba9 s VAL 29 CO 0.27 0.01 0.87 -0.75 0.00 0.00 0.00 175.10 175.50 1ba9 s LYS 30 N 2.29 3.78 -0.30 2.72 2.20 0.29 -1.64 119.74 129.07 1ba9 s LYS 30 Ca 0.72 0.44 -0.16 0.00 -0.36 0.00 0.00 55.97 56.61 1ba9 s LYS 30 Cb -0.40 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.08 1ba9 s LYS 30 CO 0.32 -0.93 0.43 0.08 -0.36 0.00 0.00 175.35 174.88 1ba9 s VAL 31 N 3.35 5.12 0.06 4.02 1.01 0.66 -1.66 120.40 132.97 1ba9 s VAL 31 Ca 0.35 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1ba9 s VAL 31 Cb -0.12 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1ba9 s VAL 31 CO 0.19 0.03 -0.05 -1.66 0.00 0.00 0.00 175.10 173.60 1ba9 s TRP 32 N 2.18 0.66 0.10 5.22 -2.14 -0.16 -0.47 118.94 124.33 1ba9 s TRP 32 Ca 0.16 -0.81 -0.15 0.00 2.66 0.00 0.00 56.10 57.96 1ba9 s TRP 32 Cb -0.16 -0.41 0.05 0.00 -3.10 0.00 0.00 33.47 29.85 1ba9 s TRP 32 CO 0.11 -0.20 0.71 0.41 -2.66 0.00 0.00 176.95 175.32 1ba9 n GLY 33 N 0.56 0.76 3.14 3.67 0.00 -0.06 0.28 105.19 113.53 1ba9 n GLY 33 Ca -0.17 -1.06 0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.67 -1.39 0.86 1.61 0.01 -1.22 -0.56 113.70 110.36 1ba9 s SER 34 Ca 0.16 -0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.17 1ba9 s SER 34 Cb -0.02 1.91 0.11 0.00 0.21 0.00 0.00 66.02 68.23 1ba9 s SER 34 CO 0.03 -0.27 1.09 -0.51 0.41 0.00 0.00 173.24 173.99 1ba9 s ILE 35 N 2.54 2.79 -0.35 1.44 2.07 -0.26 -3.14 121.20 126.29 1ba9 s ILE 35 Ca 0.12 0.26 0.02 0.00 -1.41 0.00 0.00 60.65 59.63 1ba9 s ILE 35 Cb -0.09 -2.82 0.15 0.00 0.13 0.00 0.00 42.46 39.83 1ba9 s ILE 35 CO -0.21 -0.33 0.35 -0.54 -1.91 0.00 0.00 174.94 172.29 1ba9 s LYS 36 N -5.01 0.55 0.00 3.50 1.02 0.16 -3.88 119.74 116.08 1ba9 s LYS 36 Ca 0.63 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1ba9 s LYS 36 Cb -0.17 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.41 1ba9 s LYS 36 CO 0.56 -1.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1ba9 n GLY 37 N 4.54 -0.16 0.39 -3.33 0.00 -0.33 -1.31 105.19 104.99 1ba9 n GLY 37 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.12 0.99 4.32 -0.71 -4.76 117.00 112.73 1ba9 n LEU 38 Ca 0.00 -0.13 -0.16 0.00 -0.02 0.00 0.00 56.01 55.70 1ba9 n LEU 38 Cb 0.00 -0.11 -0.12 0.00 -1.62 0.00 0.00 43.42 41.57 1ba9 n LEU 38 CO 0.00 -1.01 -0.43 0.42 -1.22 0.00 0.00 177.39 175.15 1ba9 s THR 39 N -1.24 0.84 0.43 -5.08 -4.23 -1.26 -4.13 115.64 100.97 1ba9 s THR 39 Ca 0.08 -1.19 -0.23 0.00 -1.18 0.00 0.00 61.69 59.17 1ba9 s THR 39 Cb -0.01 -0.85 -0.11 0.00 1.34 0.00 0.00 72.50 72.88 1ba9 s THR 39 CO 0.06 -0.29 0.89 -1.84 -0.54 0.00 0.00 174.62 172.89 1ba9 n GLU 40 N 1.38 1.10 0.00 3.99 0.28 -1.20 -4.38 120.64 121.82 1ba9 n GLU 40 Ca -0.22 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1ba9 n GLU 40 Cb 0.54 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.51 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 1.35 0.76 3.49 -1.84 0.00 -0.94 -4.92 105.19 103.09 1ba9 n GLY 41 Ca 0.10 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.54 -0.09 0.99 2.34 -1.26 -2.27 118.68 117.85 1ba9 s LEU 42 Ca 0.00 0.33 -0.07 0.00 0.06 0.00 0.00 54.13 54.45 1ba9 s LEU 42 Cb 0.00 2.38 0.03 0.00 -0.56 0.00 0.00 46.19 48.04 1ba9 s LEU 42 CO 0.00 -0.69 0.23 -1.00 -1.06 0.00 0.00 176.35 173.83 1ba9 s HIS 43 N -2.30 -0.27 0.46 3.48 3.76 0.33 -2.45 115.29 118.30 1ba9 s HIS 43 Ca -0.03 0.66 -0.23 0.00 -0.15 0.00 0.00 55.06 55.30 1ba9 s HIS 43 Cb -0.01 0.07 -0.07 0.00 1.11 0.00 0.00 32.58 33.68 1ba9 s HIS 43 CO -0.02 -0.16 1.21 0.20 -0.85 0.00 0.00 174.74 175.13 1ba9 s GLY 44 N 0.51 2.82 -0.18 -2.22 0.00 0.61 0.01 107.32 108.87 1ba9 s GLY 44 Ca -0.03 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.68 1ba9 s GLY 44 CO -0.03 1.52 0.15 -0.12 0.00 0.00 0.00 173.10 174.63 1ba9 s PHE 45 N -1.46 -0.04 0.09 1.90 5.36 0.17 -0.63 117.98 123.38 1ba9 s PHE 45 Ca 0.63 -0.03 -0.20 0.00 -0.96 0.00 0.00 56.93 56.38 1ba9 s PHE 45 Cb -0.32 -0.52 0.05 0.00 -0.34 0.00 0.00 43.02 41.89 1ba9 s PHE 45 CO 0.39 -0.54 0.47 -1.01 -1.46 0.00 0.00 175.22 173.07 1ba9 s HIS 46 N 2.23 -0.34 -0.33 10.12 3.76 -0.89 -2.78 115.29 127.06 1ba9 s HIS 46 Ca 0.04 0.21 -0.26 0.00 -0.15 0.00 0.00 55.06 54.91 1ba9 s HIS 46 Cb -0.16 0.32 0.01 0.00 1.11 0.00 0.00 32.58 33.86 1ba9 s HIS 46 CO -0.10 -0.68 0.92 0.08 -0.85 0.00 0.00 174.74 174.11 1ba9 s VAL 47 N -3.08 4.64 0.27 -0.90 1.01 -0.27 -1.21 120.40 120.87 1ba9 s VAL 47 Ca -0.02 1.34 -0.05 0.00 0.00 0.00 0.00 61.98 63.26 1ba9 s VAL 47 Cb 0.00 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1ba9 s VAL 47 CO -0.07 -0.42 0.53 -1.00 0.00 0.00 0.00 175.10 174.15 1ba9 s HIS 48 N 3.33 3.47 -1.04 5.22 3.76 0.72 -0.65 115.29 130.10 1ba9 s HIS 48 Ca 0.38 0.62 -0.19 0.00 -0.15 0.00 0.00 55.06 55.72 1ba9 s HIS 48 Cb -0.13 -2.08 -0.08 0.00 1.11 0.00 0.00 32.58 31.40 1ba9 s HIS 48 CO 0.15 0.21 2.02 -1.91 -0.85 0.00 0.00 174.74 174.37 1ba9 n GLU 49 N -0.82 2.02 -4.06 1.40 2.13 -0.54 -3.73 120.64 117.03 1ba9 n GLU 49 Ca -0.02 -2.17 -0.14 0.00 0.66 0.00 0.00 57.16 55.49 1ba9 n GLU 49 Cb 0.54 -3.10 -0.04 0.00 0.27 0.00 0.00 31.44 29.11 1ba9 n GLU 49 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ba9 s GLU 50 N 4.42 1.91 0.00 5.31 0.41 -1.26 -4.35 118.70 125.15 1ba9 s GLU 50 Ca 0.54 -1.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1ba9 s GLU 50 Cb 0.13 0.46 0.00 0.00 -1.78 0.00 0.00 34.13 32.94 1ba9 s GLU 50 CO 0.05 -0.80 0.00 0.39 -0.49 0.00 0.00 175.26 174.41 1ba9 n GLU 51 N -0.55 0.00 -3.52 1.61 1.02 -1.26 -1.78 120.64 116.15 1ba9 n GLU 51 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1ba9 n GLU 51 Cb 0.61 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.95 1ba9 n GLU 51 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ba9 s ASP 52 N 1.00 5.81 0.00 1.62 -1.08 -1.26 -4.32 116.67 118.44 1ba9 s ASP 52 Ca 0.00 -1.58 0.00 0.00 -0.52 0.00 0.00 52.55 50.45 1ba9 s ASP 52 Cb 0.00 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 1ba9 s ASP 52 CO 0.00 -0.62 0.00 -3.20 0.52 0.00 0.00 175.17 171.87 1ba9 n ASN 53 N 5.01 0.00 -3.15 -0.34 4.05 -1.26 -5.00 115.26 114.56 1ba9 n ASN 53 Ca -0.10 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.61 1ba9 n ASN 53 Cb 0.42 0.05 -0.04 0.00 1.23 0.00 0.00 39.78 41.45 1ba9 n ASN 53 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1ba9 n THR 54 N -1.38 3.61 -0.36 -0.44 5.66 -1.26 -4.70 114.28 115.41 1ba9 n THR 54 Ca 0.00 -2.13 0.08 0.00 -3.05 0.00 0.00 64.05 58.95 1ba9 n THR 54 Cb 0.00 -2.41 0.25 0.00 -1.55 0.00 0.00 70.33 66.62 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 5.24 1.53 -3.00 1.79 0.00 -1.95 -3.33 119.26 119.54 1ba9 h ALA 55 Ca 0.70 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1ba9 h ALA 55 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ba9 h ALA 55 CO 1.55 0.17 0.00 0.41 0.00 0.00 0.00 179.25 181.37 1ba9 n GLY 56 N -1.34 1.86 1.63 0.00 0.00 -1.26 -5.02 105.19 101.05 1ba9 n GLY 56 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 s THR 58 N 0.05 2.06 0.00 0.00 -1.32 -1.26 -4.63 115.64 110.54 1ba9 s THR 58 Ca 0.03 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.41 1ba9 s THR 58 Cb 0.17 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.45 1ba9 s THR 58 CO -0.05 0.58 0.00 -1.20 -2.21 0.00 0.00 174.62 171.74 1ba9 n SER 59 N 2.48 0.00 -0.99 8.08 7.64 -1.26 -4.50 113.62 125.07 1ba9 n SER 59 Ca -0.16 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.62 1ba9 n SER 59 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.06 -0.99 -0.43 0.00 -1.26 -4.88 120.51 113.01 1ba9 n ALA 60 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1ba9 n ALA 60 Cb 0.00 -0.50 0.16 0.00 0.00 0.00 0.00 19.45 19.12 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 61 N 1.50 -2.78 1.77 0.00 0.00 -1.26 -5.04 105.19 99.38 1ba9 n GLY 61 Ca 0.14 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.74 -1.68 -1.66 1.61 -0.04 -1.26 -4.58 135.00 123.64 1ba9 n PRO 62 Ca 0.10 -0.90 -0.40 0.00 -0.04 0.00 0.00 63.50 62.26 1ba9 n PRO 62 Cb 0.38 -0.77 0.03 0.00 -0.04 0.00 0.00 33.50 33.10 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 -3.46 1.51 -0.83 0.54 8.25 -1.26 -1.47 115.22 118.51 1ba9 n HIS 63 Ca 0.08 0.49 -0.17 0.00 -0.26 0.00 0.00 57.72 57.86 1ba9 n HIS 63 Cb 0.29 -2.27 0.14 0.00 1.12 0.00 0.00 29.99 29.27 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 -0.80 -3.52 -3.85 4.41 7.35 0.17 -4.44 117.46 116.79 1ba9 n PHE 64 Ca 0.10 -0.57 -0.12 0.00 -0.76 0.00 0.00 57.45 56.10 1ba9 n PHE 64 Cb 0.42 -0.65 -0.13 0.00 0.35 0.00 0.00 39.48 39.47 1ba9 n PHE 64 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1ba9 s ASN 65 N -3.20 -0.07 0.00 -2.13 -0.87 -1.26 -4.45 114.94 102.96 1ba9 s ASN 65 Ca 0.41 0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.83 1ba9 s ASN 65 Cb -0.04 0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.36 1ba9 s ASN 65 CO 0.31 -0.05 0.00 -0.81 -2.57 0.00 0.00 177.10 173.98 1ba9 n PRO 66 N 2.93 0.00 -2.33 -0.60 -0.04 -1.26 -4.67 135.00 129.04 1ba9 n PRO 66 Ca -0.13 0.31 -0.23 0.00 -0.04 0.00 0.00 63.50 63.42 1ba9 n PRO 66 Cb 0.59 -0.81 0.01 0.00 -0.04 0.00 0.00 33.50 33.26 1ba9 n PRO 66 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1ba9 n LEU 67 N -2.11 4.35 -3.01 1.53 -0.00 -1.26 -4.96 117.00 111.54 1ba9 n LEU 67 Ca 0.00 -4.77 -0.17 0.00 -0.00 0.00 0.00 56.01 51.07 1ba9 n LEU 67 Cb 0.00 -0.28 0.07 0.00 -0.00 0.00 0.00 43.42 43.21 1ba9 n LEU 67 CO 0.00 2.06 0.16 -1.20 -0.00 0.00 0.00 177.39 178.41 1ba9 n SER 68 N -0.55 -4.21 -4.94 1.45 7.64 -1.26 -5.02 113.62 106.73 1ba9 n SER 68 Ca 0.37 -0.46 -0.24 0.00 1.01 0.00 0.00 58.87 59.54 1ba9 n SER 68 Cb 0.81 -4.22 0.05 0.00 -1.01 0.00 0.00 64.21 59.83 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ba9 s ARG 69 N -5.70 2.46 0.86 1.43 0.52 -1.26 -5.11 118.95 112.15 1ba9 s ARG 69 Ca 0.29 -0.39 -0.12 0.00 -0.52 0.00 0.00 55.73 54.99 1ba9 s ARG 69 Cb -0.13 -2.30 0.14 0.00 0.52 0.00 0.00 34.95 33.18 1ba9 s ARG 69 CO 0.59 -0.94 1.21 0.15 0.02 0.00 0.00 175.30 176.34 1ba9 s LYS 70 N -5.02 1.33 0.54 3.54 1.02 -1.26 -4.81 119.74 115.08 1ba9 s LYS 70 Ca 0.58 -0.29 -0.19 0.00 0.02 0.00 0.00 55.97 56.09 1ba9 s LYS 70 Cb -0.11 -1.96 -0.06 0.00 -0.52 0.00 0.00 37.83 35.19 1ba9 s LYS 70 CO 0.42 -1.94 1.11 -1.58 -0.92 0.00 0.00 175.35 172.44 1ba9 s HIS 71 N -3.65 2.74 0.00 3.18 5.65 0.75 -3.28 115.29 120.67 1ba9 s HIS 71 Ca 0.68 1.55 0.00 0.00 0.25 0.00 0.00 55.06 57.54 1ba9 s HIS 71 Cb -0.07 -3.22 0.00 0.00 -1.18 0.00 0.00 32.58 28.11 1ba9 s HIS 71 CO 0.50 -1.42 0.00 0.41 -0.65 0.00 0.00 174.74 173.58 1ba9 n GLY 72 N -0.03 1.94 3.73 1.59 0.00 -1.17 -4.14 105.19 107.12 1ba9 n GLY 72 Ca 0.11 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1ba9 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 73 N 0.00 3.47 0.22 -0.02 0.00 -1.26 -4.59 105.19 103.01 1ba9 n GLY 73 Ca 0.00 -2.33 0.15 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.91 0.21 132.00 132.05 1ba9 h PRO 74 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ba9 h PRO 74 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ba9 h PRO 74 CO 0.69 0.00 -0.71 -0.22 -0.23 0.00 0.00 178.00 177.53 1ba9 h LYS 75 N 0.00 0.00 -7.28 0.86 3.64 -1.96 -3.47 116.57 108.36 1ba9 h LYS 75 Ca 0.00 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 1ba9 h LYS 75 Cb 0.21 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1ba9 h LYS 75 CO 0.00 0.00 0.39 -0.51 -2.27 0.00 0.00 179.45 177.06 1ba9 s ASP 76 N -5.10 6.11 0.10 4.20 1.01 0.06 -4.97 116.67 118.08 1ba9 s ASP 76 Ca 0.03 1.56 0.04 0.00 0.71 0.00 0.00 52.55 54.89 1ba9 s ASP 76 Cb 0.10 -2.50 -0.23 0.00 1.01 0.00 0.00 42.92 41.30 1ba9 s ASP 76 CO 0.75 -0.94 1.20 -0.08 0.21 0.00 0.00 175.17 176.30 1ba9 h GLU 77 N 0.08 0.09 -4.04 8.23 4.57 -1.91 -3.41 114.58 118.18 1ba9 h GLU 77 Ca -0.45 -0.15 -0.70 0.00 -1.18 0.00 0.00 59.36 56.87 1ba9 h GLU 77 Cb 1.20 0.06 -0.34 0.00 -0.16 0.00 0.00 28.75 29.50 1ba9 h GLU 77 CO 0.60 1.05 -0.42 -2.00 -1.18 0.00 0.00 179.01 177.05 1ba9 s GLU 78 N -2.69 2.37 0.04 1.92 2.12 -1.26 -5.05 118.70 116.15 1ba9 s GLU 78 Ca -0.01 -2.15 0.02 0.00 0.36 0.00 0.00 54.97 53.18 1ba9 s GLU 78 Cb 0.09 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1ba9 s GLU 78 CO 0.84 -1.14 -0.06 -0.98 -0.54 0.00 0.00 175.26 173.37 1ba9 s ARG 79 N 0.60 0.48 0.78 4.30 1.70 -1.23 -3.06 118.95 122.53 1ba9 s ARG 79 Ca 0.12 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 54.52 1ba9 s ARG 79 Cb -0.22 -0.18 0.06 0.00 -0.57 0.00 0.00 34.95 34.05 1ba9 s ARG 79 CO -0.04 0.02 1.10 -1.01 -1.08 0.00 0.00 175.30 174.30 1ba9 s HIS 80 N -1.52 2.96 0.37 5.89 3.76 -1.21 -4.81 115.29 120.73 1ba9 s HIS 80 Ca -0.10 1.07 0.14 0.00 -0.15 0.00 0.00 55.06 56.02 1ba9 s HIS 80 Cb -0.09 -3.15 0.98 0.00 1.11 0.00 0.00 32.58 31.43 1ba9 s HIS 80 CO -0.00 -1.65 1.79 -0.24 -0.85 0.00 0.00 174.74 173.79 1ba9 h VAL 81 N -0.99 0.62 -1.51 -0.90 3.04 -1.84 -1.40 116.25 113.27 1ba9 h VAL 81 Ca -0.47 -0.18 -0.51 0.00 -1.01 0.00 0.00 66.70 64.54 1ba9 h VAL 81 Cb 1.27 0.06 -0.41 0.00 -2.01 0.00 0.00 31.29 30.20 1ba9 h VAL 81 CO 0.61 0.09 -0.90 0.61 -1.01 0.00 0.00 177.57 176.97 1ba9 n GLY 82 N -1.43 4.37 3.47 3.17 0.00 -1.26 -4.49 105.19 109.01 1ba9 n GLY 82 Ca 0.23 -2.22 -0.44 0.00 0.00 0.00 0.00 46.02 43.59 1ba9 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ba9 s ASP 83 N -3.31 6.78 -0.36 1.61 1.01 -0.53 -1.11 116.67 120.77 1ba9 s ASP 83 Ca 0.41 -2.35 -0.01 0.00 0.71 0.00 0.00 52.55 51.31 1ba9 s ASP 83 Cb 0.40 -2.42 0.24 0.00 1.01 0.00 0.00 42.92 42.14 1ba9 s ASP 83 CO -0.10 -0.99 2.03 0.18 0.21 0.00 0.00 175.17 176.50 1ba9 n LEU 84 N 6.52 6.62 0.00 1.23 4.77 -1.12 -3.29 117.00 131.73 1ba9 n LEU 84 Ca 0.30 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.86 1ba9 n LEU 84 Cb 0.47 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1ba9 n LEU 84 CO 0.57 1.26 0.00 0.61 -1.33 0.00 0.00 177.39 178.51 1ba9 n GLY 85 N 0.21 1.82 3.39 -0.72 0.00 -1.26 -4.64 105.19 104.00 1ba9 n GLY 85 Ca 0.34 0.23 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 1ba9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 86 N -3.35 2.09 0.32 1.61 6.03 -1.26 -0.65 114.94 119.73 1ba9 s ASN 86 Ca 0.00 -1.31 0.07 0.00 -1.03 0.00 0.00 52.86 50.59 1ba9 s ASN 86 Cb 0.00 -0.03 -0.06 0.00 -3.03 0.00 0.00 41.25 38.12 1ba9 s ASN 86 CO 0.00 -0.56 -0.03 0.68 -2.03 0.00 0.00 177.10 175.15 1ba9 s VAL 87 N -3.36 1.73 -0.34 3.54 -7.23 0.10 -4.88 120.40 109.96 1ba9 s VAL 87 Ca 0.33 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 1ba9 s VAL 87 Cb 0.07 -2.64 0.10 0.00 0.56 0.00 0.00 36.38 34.47 1ba9 s VAL 87 CO 0.13 -0.18 0.05 -0.89 -0.31 0.00 0.00 175.10 173.90 1ba9 s THR 88 N -2.94 2.32 0.35 5.32 2.01 -1.26 -0.51 115.64 120.94 1ba9 s THR 88 Ca 0.32 -2.29 -0.26 0.00 0.31 0.00 0.00 61.69 59.77 1ba9 s THR 88 Cb 0.05 -2.69 -0.09 0.00 0.01 0.00 0.00 72.50 69.78 1ba9 s THR 88 CO 0.14 -0.57 1.07 0.00 -0.69 0.00 0.00 174.62 174.58 1ba9 s ALA 89 N 0.92 3.20 1.03 7.40 0.00 -0.96 -4.25 121.76 129.11 1ba9 s ALA 89 Ca 0.10 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 52.69 1ba9 s ALA 89 Cb -0.19 -3.29 0.21 0.00 0.00 0.00 0.00 23.12 19.84 1ba9 s ALA 89 CO -0.08 -0.20 1.12 -0.51 0.00 0.00 0.00 175.76 176.09 1ba9 s ASP 90 N -1.30 2.38 0.60 0.00 1.01 0.55 -2.22 116.67 117.69 1ba9 s ASP 90 Ca 0.53 0.93 0.29 0.00 0.71 0.00 0.00 52.55 55.01 1ba9 s ASP 90 Cb -0.26 -1.43 1.60 0.00 1.01 0.00 0.00 42.92 43.83 1ba9 s ASP 90 CO 0.33 -3.25 2.00 0.07 0.21 0.00 0.00 175.17 174.52 1ba9 h LYS 91 N -1.98 0.00 -0.01 8.23 2.10 -1.95 0.88 116.57 123.84 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 0.52 0.00 -0.07 -0.25 -2.00 0.00 0.00 179.45 177.64 1ba9 n ASP 92 N -3.62 1.52 -0.49 7.07 9.92 -1.26 -4.78 116.55 124.91 1ba9 n ASP 92 Ca 0.04 -1.39 -0.04 0.00 -0.53 0.00 0.00 54.79 52.86 1ba9 n ASP 92 Cb 0.47 0.04 -0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 1.24 0.20 3.30 0.44 0.00 0.30 -4.73 105.19 105.93 1ba9 n GLY 93 Ca 0.17 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.21 3.52 -0.43 1.61 1.01 -1.26 -1.18 120.40 121.46 1ba9 s VAL 94 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1ba9 s VAL 94 Cb 0.00 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.68 1ba9 s VAL 94 CO 0.00 0.18 0.31 0.00 0.00 0.00 0.00 175.10 175.59 1ba9 s ALA 95 N 1.44 3.41 -0.17 5.51 0.00 -1.25 -0.33 121.76 130.36 1ba9 s ALA 95 Ca 0.02 -2.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.65 1ba9 s ALA 95 Cb -0.16 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 1ba9 s ALA 95 CO -0.01 -1.63 1.17 0.34 0.00 0.00 0.00 175.76 175.63 1ba9 s ASP 96 N 2.19 7.03 -0.03 0.00 2.15 -1.26 -1.10 116.67 125.64 1ba9 s ASP 96 Ca 0.03 1.59 -0.10 0.00 0.43 0.00 0.00 52.55 54.51 1ba9 s ASP 96 Cb -0.23 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.80 1ba9 s ASP 96 CO 0.05 -0.69 0.28 -0.69 -0.17 0.00 0.00 175.17 173.95 1ba9 s VAL 97 N 3.18 5.27 -0.46 1.11 1.01 0.28 -4.69 120.40 126.09 1ba9 s VAL 97 Ca 0.51 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1ba9 s VAL 97 Cb -0.20 -3.56 0.19 0.00 0.00 0.00 0.00 36.38 32.81 1ba9 s VAL 97 CO 0.13 0.51 0.80 -0.55 0.00 0.00 0.00 175.10 175.99 1ba9 s SER 98 N -1.28 -1.17 0.36 3.32 0.15 -1.23 -0.88 113.70 112.97 1ba9 s SER 98 Ca 0.23 -1.21 0.03 0.00 0.70 0.00 0.00 55.95 55.69 1ba9 s SER 98 Cb -0.14 1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 65.65 1ba9 s SER 98 CO 0.11 -0.06 0.10 -0.51 1.20 0.00 0.00 173.24 174.08 1ba9 s ILE 99 N 1.12 0.80 -0.02 6.45 2.07 0.38 -5.00 121.20 126.99 1ba9 s ILE 99 Ca 0.26 -2.00 -0.01 0.00 -1.41 0.00 0.00 60.65 57.49 1ba9 s ILE 99 Cb 0.02 -2.54 0.02 0.00 0.13 0.00 0.00 42.46 40.09 1ba9 s ILE 99 CO -0.07 0.00 0.04 -1.83 -1.91 0.00 0.00 174.94 171.17 1ba9 s GLU 100 N -3.82 -0.00 0.09 3.50 1.03 -1.26 -0.24 118.70 118.00 1ba9 s GLU 100 Ca 0.30 0.15 0.05 0.00 0.03 0.00 0.00 54.97 55.50 1ba9 s GLU 100 Cb 0.05 -0.15 -0.03 0.00 -0.80 0.00 0.00 34.13 33.20 1ba9 s GLU 100 CO 0.15 -0.11 -0.13 -0.51 -1.33 0.00 0.00 175.26 173.33 1ba9 s ASP 101 N 0.71 1.63 0.00 0.83 1.01 -0.65 -4.97 116.67 115.23 1ba9 s ASP 101 Ca -0.06 -0.70 0.14 0.00 0.71 0.00 0.00 52.55 52.64 1ba9 s ASP 101 Cb -0.08 -0.03 0.38 0.00 1.01 0.00 0.00 42.92 44.20 1ba9 s ASP 101 CO -0.02 -0.15 1.31 -0.24 0.21 0.00 0.00 175.17 176.28 1ba9 n SER 102 N 0.94 3.15 -0.12 0.27 2.88 -1.26 -0.46 113.62 119.02 1ba9 n SER 102 Ca -0.19 -1.97 -0.22 0.00 -1.33 0.00 0.00 58.87 55.16 1ba9 n SER 102 Cb 0.56 -0.28 -0.07 0.00 -0.75 0.00 0.00 64.21 63.66 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1ba9 n VAL 103 N 0.85 1.48 -1.38 2.46 0.31 -1.26 -4.98 118.33 115.81 1ba9 n VAL 103 Ca 0.15 -0.20 -0.32 0.00 -0.01 0.00 0.00 64.34 63.96 1ba9 n VAL 103 Cb 0.47 -2.02 0.08 0.00 -0.91 0.00 0.00 33.84 31.47 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ba9 s ILE 104 N -2.62 3.25 0.00 2.52 -4.36 -1.26 -4.98 121.20 113.75 1ba9 s ILE 104 Ca -0.34 0.45 0.00 0.00 -0.26 0.00 0.00 60.65 60.50 1ba9 s ILE 104 Cb 0.11 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.88 1ba9 s ILE 104 CO 0.45 -0.48 0.00 -1.20 0.24 0.00 0.00 174.94 173.95 1ba9 n SER 105 N -3.24 0.00 -1.52 4.36 7.64 -1.26 -4.37 113.62 115.23 1ba9 n SER 105 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1ba9 n SER 105 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 4.11 -3.63 -3.43 4.77 -1.26 -1.97 117.00 115.59 1ba9 n LEU 106 Ca 0.00 -1.87 -0.15 0.00 -0.03 0.00 0.00 56.01 53.96 1ba9 n LEU 106 Cb 0.00 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.16 1ba9 n LEU 106 CO 0.00 0.77 0.28 -0.94 -1.33 0.00 0.00 177.39 176.17 1ba9 s SER 107 N 1.87 -0.53 0.42 -1.43 1.04 -1.26 -4.83 113.70 108.98 1ba9 s SER 107 Ca 0.00 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1ba9 s SER 107 Cb 0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1ba9 s SER 107 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1ba9 n GLY 108 N 1.67 -1.76 0.15 7.32 0.00 -1.26 -4.12 105.19 107.20 1ba9 n GLY 108 Ca -0.18 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.80 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 109 N -3.64 0.61 0.21 1.61 9.92 -1.26 -2.33 116.55 121.66 1ba9 n ASP 109 Ca 0.01 0.73 0.15 0.00 -0.53 0.00 0.00 54.79 55.14 1ba9 n ASP 109 Cb 0.47 -0.83 0.54 0.00 -0.64 0.00 0.00 41.12 40.67 1ba9 n ASP 109 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 1ba9 h HIS 110 N 0.00 0.00 -0.42 1.24 3.86 -1.80 -3.45 115.15 114.58 1ba9 h HIS 110 Ca 0.00 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.49 1ba9 h HIS 110 Cb 0.13 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1ba9 h HIS 110 CO 0.00 0.00 1.37 0.45 0.86 0.00 0.00 177.93 180.61 1ba9 n SER 111 N -2.74 1.27 0.00 2.45 2.88 -0.83 -4.46 113.62 112.19 1ba9 n SER 111 Ca 0.02 0.56 0.10 0.00 -1.33 0.00 0.00 58.87 58.22 1ba9 n SER 111 Cb 0.32 -1.04 0.50 0.00 -0.75 0.00 0.00 64.21 63.24 1ba9 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1ba9 n ILE 112 N 6.80 0.40 -1.65 2.46 -0.00 -1.26 -4.72 119.36 121.38 1ba9 n ILE 112 Ca 0.50 0.10 -0.54 0.00 -0.00 0.00 0.00 62.75 62.81 1ba9 n ILE 112 Cb 0.07 -0.76 -0.07 0.00 -0.00 0.00 0.00 39.64 38.88 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 -1.30 0.37 0.00 7.28 2.08 -1.26 -0.77 119.36 125.75 1ba9 n ILE 113 Ca 0.09 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1ba9 n ILE 113 Cb 0.17 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 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 4.72 2.67 3.69 7.39 0.00 0.53 -5.02 105.19 119.18 1ba9 n GLY 114 Ca 0.28 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.56 -0.34 1.61 3.00 0.05 -4.27 118.95 119.56 1ba9 s ARG 115 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 55.73 56.10 1ba9 s ARG 115 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 34.95 33.19 1ba9 s ARG 115 CO 0.00 -2.64 0.40 0.99 0.00 0.00 0.00 175.30 174.04 1ba9 s THR 116 N -2.99 5.13 -0.21 0.02 2.01 -0.74 -0.91 115.64 117.96 1ba9 s THR 116 Ca 0.65 0.17 -0.19 0.00 0.31 0.00 0.00 61.69 62.63 1ba9 s THR 116 Cb -0.18 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1ba9 s THR 116 CO 0.57 -0.10 0.54 -0.22 -0.69 0.00 0.00 174.62 174.72 1ba9 s LEU 117 N 2.11 4.13 -0.00 4.42 1.98 0.85 -0.20 118.68 131.97 1ba9 s LEU 117 Ca 0.14 0.69 0.05 0.00 -2.89 0.00 0.00 54.13 52.11 1ba9 s LEU 117 Cb -0.16 -2.74 -0.01 0.00 0.66 0.00 0.00 46.19 43.94 1ba9 s LEU 117 CO 0.12 -0.21 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.51 1ba9 s VAL 118 N 1.77 1.29 0.20 1.68 1.01 -0.35 -0.46 120.40 125.54 1ba9 s VAL 118 Ca 0.25 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1ba9 s VAL 118 Cb -0.15 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1ba9 s VAL 118 CO 0.10 0.31 0.28 0.54 0.00 0.00 0.00 175.10 176.33 1ba9 s VAL 119 N -0.46 5.07 0.27 2.92 0.11 -0.47 -2.10 120.40 125.73 1ba9 s VAL 119 Ca 0.06 -0.95 0.11 0.00 -2.93 0.00 0.00 61.98 58.26 1ba9 s VAL 119 Cb -0.07 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 1ba9 s VAL 119 CO -0.00 -0.22 -0.09 -1.00 -3.33 0.00 0.00 175.10 170.46 1ba9 s HIS 120 N -1.89 2.52 0.23 1.54 3.76 0.20 -2.75 115.29 118.90 1ba9 s HIS 120 Ca 0.34 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.93 1ba9 s HIS 120 Cb -0.10 -1.11 0.24 0.00 1.11 0.00 0.00 32.58 32.73 1ba9 s HIS 120 CO 0.28 0.66 1.75 1.49 -0.85 0.00 0.00 174.74 178.07 1ba9 h GLU 121 N 2.05 0.97 -5.23 1.40 4.81 -0.74 -3.35 114.58 114.49 1ba9 h GLU 121 Ca -0.42 -0.24 -0.64 0.00 -0.13 0.00 0.00 59.36 57.93 1ba9 h GLU 121 Cb 1.25 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.38 1ba9 h GLU 121 CO 0.60 0.89 -0.53 0.15 -0.73 0.00 0.00 179.01 179.39 1ba9 s LYS 122 N -5.18 2.09 0.71 1.92 1.02 -1.25 -4.85 119.74 114.20 1ba9 s LYS 122 Ca -0.11 -2.30 -0.15 0.00 0.02 0.00 0.00 55.97 53.43 1ba9 s LYS 122 Cb 0.15 -1.33 0.03 0.00 -0.52 0.00 0.00 37.83 36.15 1ba9 s LYS 122 CO 0.83 -0.34 1.20 0.00 -0.92 0.00 0.00 175.35 176.12 1ba9 s ALA 123 N -2.94 2.20 0.26 5.17 0.00 -1.02 -0.29 121.76 125.15 1ba9 s ALA 123 Ca 0.14 0.87 -0.27 0.00 0.00 0.00 0.00 51.96 52.70 1ba9 s ALA 123 Cb 0.03 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1ba9 s ALA 123 CO 0.08 -1.74 0.90 0.16 0.00 0.00 0.00 175.76 175.15 1ba9 s ASP 124 N -2.03 7.43 -0.05 0.00 1.47 -1.26 -4.04 116.67 118.19 1ba9 s ASP 124 Ca 0.74 1.81 0.00 0.00 1.18 0.00 0.00 52.55 56.28 1ba9 s ASP 124 Cb -0.29 -2.56 0.06 0.00 -0.34 0.00 0.00 42.92 39.79 1ba9 s ASP 124 CO 0.44 0.06 1.29 -0.67 0.68 0.00 0.00 175.17 176.96 1ba9 n ASP 125 N 1.04 3.62 -2.84 2.11 2.03 0.05 -4.80 116.55 117.76 1ba9 n ASP 125 Ca -0.01 -2.24 -0.16 0.00 0.52 0.00 0.00 54.79 52.90 1ba9 n ASP 125 Cb 0.49 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 126 N 0.55 -1.26 -4.46 -2.67 7.99 -1.26 -0.90 117.00 114.98 1ba9 n LEU 126 Ca 0.06 -0.04 -0.39 0.00 -0.01 0.00 0.00 56.01 55.63 1ba9 n LEU 126 Cb 0.59 -2.07 -0.09 0.00 -0.11 0.00 0.00 43.42 41.75 1ba9 n LEU 126 CO 0.06 0.01 -0.26 0.61 -1.51 0.00 0.00 177.39 176.30 1ba9 n GLY 127 N -0.95 -0.31 0.16 -0.72 0.00 -1.26 -4.34 105.19 97.77 1ba9 n GLY 127 Ca -0.08 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.22 2.24 0.00 1.61 4.76 -0.08 -4.52 118.16 117.95 1ba9 n LYS 128 Ca -0.03 -1.45 0.00 0.00 -2.87 0.00 0.00 58.31 53.97 1ba9 n LYS 128 Cb 0.53 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 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 -0.15 1.08 4.11 0.72 0.00 -1.26 -4.88 105.19 104.82 1ba9 n GLY 129 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1ba9 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba9 n GLY 130 N 0.08 -0.32 3.63 -0.02 0.00 -1.26 -4.92 105.19 102.39 1ba9 n GLY 130 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.85 -0.75 0.10 1.61 2.47 -1.26 -5.04 114.94 108.21 1ba9 s ASN 131 Ca 0.36 1.41 -0.19 0.00 0.42 0.00 0.00 52.86 54.86 1ba9 s ASN 131 Cb -0.20 1.42 -0.04 0.00 -1.45 0.00 0.00 41.25 40.98 1ba9 s ASN 131 CO 0.92 -0.24 1.23 -0.62 -3.72 0.00 0.00 177.10 174.66 1ba9 n GLU 132 N 2.86 -0.28 -0.09 0.43 4.71 -1.26 -0.07 120.64 126.94 1ba9 n GLU 132 Ca -0.15 1.21 -0.09 0.00 -0.01 0.00 0.00 57.16 58.12 1ba9 n GLU 132 Cb 0.56 -1.79 -0.07 0.00 -1.01 0.00 0.00 31.44 29.13 1ba9 n GLU 132 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1ba9 h GLN 133 N 0.00 -0.26 -0.52 3.49 -0.00 -1.98 0.63 115.11 116.47 1ba9 h GLN 133 Ca 0.10 0.02 0.07 0.00 -0.00 0.00 0.00 58.65 58.83 1ba9 h GLN 133 Cb 0.26 0.06 -0.09 0.00 0.00 0.00 0.00 27.48 27.70 1ba9 h GLN 133 CO -0.59 -0.17 -0.52 1.03 0.00 0.00 0.00 178.83 178.58 1ba9 h SER 134 N -0.27 -1.77 0.00 -0.69 0.87 -1.78 0.59 113.55 110.50 1ba9 h SER 134 Ca 0.05 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1ba9 h SER 134 Cb 0.40 0.76 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1ba9 h SER 134 CO -0.40 -0.37 0.00 0.35 -0.53 0.00 0.00 176.83 175.88 1ba9 n THR 135 N -5.37 0.00 -0.05 2.23 -2.24 0.89 0.69 114.28 110.44 1ba9 n THR 135 Ca -0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.71 1ba9 n THR 135 Cb 0.34 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.81 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 -0.99 1.93 0.00 -0.78 4.81 0.21 -0.18 118.16 123.16 1ba9 n LYS 136 Ca 0.14 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1ba9 n LYS 136 Cb 0.06 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 33.88 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 -2.47 0.00 0.00 3.15 -2.24 0.20 -4.06 114.28 108.86 1ba9 n THR 137 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1ba9 n THR 137 Cb 0.78 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.51 0.70 2.66 3.38 0.00 0.22 -4.58 105.19 109.08 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 -5.54 0.05 1.61 5.15 -1.26 -0.77 115.26 114.51 1ba9 n ASN 139 Ca 0.00 0.42 -0.11 0.00 -0.60 0.00 0.00 54.58 54.29 1ba9 n ASN 139 Cb 0.00 -4.54 -0.06 0.00 -0.53 0.00 0.00 39.78 34.66 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 -0.08 0.00 5.20 0.00 -1.81 -3.48 119.26 119.08 1ba9 h ALA 140 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ba9 h ALA 140 Cb 1.27 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ba9 h ALA 140 CO 0.51 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1ba9 n GLY 141 N -1.19 0.72 3.62 0.00 0.00 -1.26 -3.79 105.19 103.27 1ba9 n GLY 141 Ca -0.06 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 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 2.08 -0.44 1.61 0.15 -1.26 -4.41 113.70 107.43 1ba9 s SER 142 Ca 0.00 1.32 -0.23 0.00 0.70 0.00 0.00 55.95 57.74 1ba9 s SER 142 Cb 0.00 -2.02 0.02 0.00 -1.71 0.00 0.00 66.02 62.32 1ba9 s SER 142 CO 0.00 -3.49 0.76 -0.13 1.20 0.00 0.00 173.24 171.58 1ba9 s ARG 143 N -4.79 3.40 0.25 5.44 3.00 -1.26 -0.14 118.95 124.84 1ba9 s ARG 143 Ca 0.66 -0.13 -0.05 0.00 0.00 0.00 0.00 55.73 56.21 1ba9 s ARG 143 Cb -0.21 -3.93 0.27 0.00 0.00 0.00 0.00 34.95 31.08 1ba9 s ARG 143 CO 0.60 -1.09 1.82 -0.07 0.00 0.00 0.00 175.30 176.56 1ba9 h LEU 144 N 10.04 0.97 -7.13 2.53 -0.00 -1.77 -3.47 115.31 116.49 1ba9 h LEU 144 Ca -0.25 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.45 1ba9 h LEU 144 Cb 1.09 -0.25 -0.14 0.00 -0.00 0.00 0.00 40.66 41.36 1ba9 h LEU 144 CO 0.95 0.87 0.11 0.00 -0.00 0.00 0.00 178.44 180.37 1ba9 s ALA 145 N -5.47 -1.42 0.01 1.53 0.00 -1.25 -4.05 121.76 111.11 1ba9 s ALA 145 Ca -0.11 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1ba9 s ALA 145 Cb 0.16 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1ba9 s ALA 145 CO 0.82 -0.64 -0.06 0.00 0.00 0.00 0.00 175.76 175.88 1ba9 s GLY 147 N -0.70 0.70 0.02 0.00 0.00 0.39 -0.56 107.32 107.17 1ba9 s GLY 147 Ca -0.03 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.71 1ba9 s GLY 147 CO 0.00 -0.92 -0.25 -1.34 0.00 0.00 0.00 173.10 170.59 1ba9 s VAL 148 N -4.02 2.01 -0.15 1.40 -7.23 -1.26 -0.11 120.40 111.04 1ba9 s VAL 148 Ca 0.23 -1.24 -0.20 0.00 -1.81 0.00 0.00 61.98 58.96 1ba9 s VAL 148 Cb 0.03 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1ba9 s VAL 148 CO 0.04 0.42 0.58 -0.63 -0.31 0.00 0.00 175.10 175.20 1ba9 s ILE 149 N -0.71 5.09 0.28 -0.62 1.09 -0.09 -4.04 121.20 122.20 1ba9 s ILE 149 Ca 0.10 1.12 -0.02 0.00 -1.10 0.00 0.00 60.65 60.76 1ba9 s ILE 149 Cb -0.10 -3.91 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1ba9 s ILE 149 CO 0.01 0.22 0.33 -0.83 -0.10 0.00 0.00 174.94 174.57 1ba9 s GLY 150 N 0.93 1.47 0.28 6.18 0.00 0.04 -0.35 107.32 115.87 1ba9 s GLY 150 Ca 0.29 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.14 1ba9 s GLY 150 CO 0.12 -1.14 1.53 1.39 0.00 0.00 0.00 173.10 174.99 1ba9 n ILE 151 N -0.45 1.08 -2.84 0.90 -0.00 -1.26 -0.31 119.36 116.46 1ba9 n ILE 151 Ca 0.02 -0.27 -0.43 0.00 -0.00 0.00 0.00 62.75 62.07 1ba9 n ILE 151 Cb 0.63 -1.82 -0.02 0.00 -0.00 0.00 0.00 39.64 38.43 1ba9 n ILE 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ba9 s ALA 152 N -0.10 3.34 0.00 -1.39 0.00 -0.16 -4.59 121.76 118.87 1ba9 s ALA 152 Ca 0.64 -2.78 0.00 0.00 0.00 0.00 0.00 51.96 49.83 1ba9 s ALA 152 Cb -0.54 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.40 1ba9 s ALA 152 CO 0.50 -3.09 0.00 0.94 0.00 0.00 0.00 175.76 174.11