#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 2.90 -2.70 0.00 5.66 -1.26 -5.03 114.28 113.85 1ba9 n THR 2 Ca 0.00 -5.20 -0.43 0.00 -3.05 0.00 0.00 64.05 55.37 1ba9 n THR 2 Cb 0.00 -1.33 -0.02 0.00 -1.55 0.00 0.00 70.33 67.42 1ba9 n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ba9 s LYS 3 N -3.59 4.31 0.21 1.09 3.01 -1.26 -4.00 119.74 119.51 1ba9 s LYS 3 Ca 0.48 1.33 0.11 0.00 -1.01 0.00 0.00 55.97 56.88 1ba9 s LYS 3 Cb 0.35 -3.60 -0.05 0.00 -1.01 0.00 0.00 37.83 33.52 1ba9 s LYS 3 CO -0.18 -0.50 -0.23 0.00 0.51 0.00 0.00 175.35 174.95 1ba9 s ALA 4 N 2.73 2.60 0.06 5.17 0.00 0.02 -0.97 121.76 131.37 1ba9 s ALA 4 Ca 0.45 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1ba9 s ALA 4 Cb -0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1ba9 s ALA 4 CO 0.10 0.40 -0.08 0.54 0.00 0.00 0.00 175.76 176.72 1ba9 s VAL 5 N -1.85 0.62 -0.17 0.00 0.11 0.50 -0.35 120.40 119.26 1ba9 s VAL 5 Ca 0.23 -1.35 -0.04 0.00 -2.93 0.00 0.00 61.98 57.89 1ba9 s VAL 5 Cb -0.07 -0.95 0.07 0.00 -1.53 0.00 0.00 36.38 33.90 1ba9 s VAL 5 CO 0.11 -0.52 0.16 0.00 -3.33 0.00 0.00 175.10 171.52 1ba9 s ALA 6 N -2.03 0.04 -0.82 1.54 0.00 0.23 -0.67 121.76 120.06 1ba9 s ALA 6 Ca -0.03 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 1ba9 s ALA 6 Cb -0.06 -1.13 0.09 0.00 0.00 0.00 0.00 23.12 22.03 1ba9 s ALA 6 CO -0.01 -1.10 1.11 0.14 0.00 0.00 0.00 175.76 175.90 1ba9 s VAL 7 N 2.24 4.39 0.31 0.00 -7.23 -1.26 -0.59 120.40 118.27 1ba9 s VAL 7 Ca 0.04 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 1ba9 s VAL 7 Cb -0.15 -4.78 -0.12 0.00 0.56 0.00 0.00 36.38 31.88 1ba9 s VAL 7 CO -0.10 -1.56 1.46 0.18 -0.31 0.00 0.00 175.10 174.77 1ba9 n LEU 8 N 7.51 4.03 -3.77 1.32 4.32 0.11 -4.49 117.00 126.03 1ba9 n LEU 8 Ca 0.12 1.18 -0.10 0.00 -0.02 0.00 0.00 56.01 57.19 1ba9 n LEU 8 Cb 0.48 -1.54 -0.05 0.00 -1.62 0.00 0.00 43.42 40.68 1ba9 n LEU 8 CO 0.59 -0.12 0.14 -0.75 -1.22 0.00 0.00 177.39 176.03 1ba9 s LYS 9 N -1.18 1.19 0.00 3.23 2.20 -0.24 -0.86 119.74 124.07 1ba9 s LYS 9 Ca 0.60 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1ba9 s LYS 9 Cb -0.54 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1ba9 s LYS 9 CO 0.56 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 1ba9 n GLY 10 N -0.25 3.44 0.28 5.54 0.00 -0.99 -0.53 105.19 112.69 1ba9 n GLY 10 Ca -0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 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 0.72 -3.01 1.61 3.58 -1.90 -3.44 116.42 113.98 1ba9 h ASP 11 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1ba9 h ASP 11 Cb 0.00 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.86 1ba9 h ASP 11 CO 0.00 0.79 0.00 0.61 -2.88 0.00 0.00 179.24 177.76 1ba9 n GLY 12 N -0.65 1.87 0.13 -0.78 0.00 -1.26 -5.01 105.19 99.49 1ba9 n GLY 12 Ca 0.02 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -5.11 1.61 0.13 -1.86 -3.44 132.00 123.33 1ba9 h PRO 13 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1ba9 h PRO 13 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1ba9 h PRO 13 CO 0.00 0.00 1.72 1.55 -0.23 0.00 0.00 178.00 181.04 1ba9 n VAL 14 N -2.31 -0.01 -4.04 1.56 3.14 -1.23 -4.54 118.33 110.91 1ba9 n VAL 14 Ca 0.04 -0.07 -0.08 0.00 -2.96 0.00 0.00 64.34 61.27 1ba9 n VAL 14 Cb 0.34 -0.69 -0.10 0.00 -1.06 0.00 0.00 33.84 32.32 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 8.76 0.51 -0.29 1.45 -2.07 -0.89 -2.33 119.66 124.79 1ba9 s GLN 15 Ca 1.32 -0.98 -0.15 0.00 -1.82 0.00 0.00 55.36 53.73 1ba9 s GLN 15 Cb -1.18 0.18 0.12 0.00 -1.09 0.00 0.00 33.01 31.04 1ba9 s GLN 15 CO 0.48 -0.09 0.82 0.20 -1.32 0.00 0.00 175.29 175.38 1ba9 s GLY 16 N -2.37 -0.38 -0.67 2.60 0.00 -0.04 0.36 107.32 106.82 1ba9 s GLY 16 Ca -0.02 2.74 -0.24 0.00 0.00 0.00 0.00 44.72 47.21 1ba9 s GLY 16 CO -0.07 2.69 1.03 -0.42 0.00 0.00 0.00 173.10 176.33 1ba9 s ILE 17 N 1.84 4.19 0.39 0.90 1.09 -1.25 0.08 121.20 128.45 1ba9 s ILE 17 Ca -0.08 -0.14 -0.23 0.00 -1.10 0.00 0.00 60.65 59.10 1ba9 s ILE 17 Cb -0.06 -4.73 -0.10 0.00 -1.06 0.00 0.00 42.46 36.51 1ba9 s ILE 17 CO -0.18 -1.53 0.96 -0.63 -0.10 0.00 0.00 174.94 173.47 1ba9 s ILE 18 N 4.44 4.26 -0.00 2.92 -1.09 0.24 -3.33 121.20 128.63 1ba9 s ILE 18 Ca 0.26 1.58 0.05 0.00 -2.23 0.00 0.00 60.65 60.30 1ba9 s ILE 18 Cb -0.15 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1ba9 s ILE 18 CO 0.12 -0.14 -0.15 0.20 -1.23 0.00 0.00 174.94 173.74 1ba9 s ASN 19 N -1.94 1.82 -0.10 3.58 -0.87 0.84 -0.60 114.94 117.68 1ba9 s ASN 19 Ca 0.58 -0.30 -0.00 0.00 -1.57 0.00 0.00 52.86 51.56 1ba9 s ASN 19 Cb -0.13 -0.19 0.02 0.00 -0.02 0.00 0.00 41.25 40.93 1ba9 s ASN 19 CO 0.18 0.17 -0.06 -0.36 -2.57 0.00 0.00 177.10 174.47 1ba9 s PHE 20 N -0.42 1.22 0.13 2.20 0.08 0.53 -1.05 117.98 120.68 1ba9 s PHE 20 Ca 0.06 -0.55 0.08 0.00 0.12 0.00 0.00 56.93 56.64 1ba9 s PHE 20 Cb -0.06 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 1ba9 s PHE 20 CO -0.00 -0.44 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.34 1ba9 s GLU 21 N 1.70 1.97 -0.41 0.44 2.02 0.06 -0.80 118.70 123.68 1ba9 s GLU 21 Ca 0.03 -1.16 0.09 0.00 0.02 0.00 0.00 54.97 53.95 1ba9 s GLU 21 Cb -0.13 -2.18 0.37 0.00 0.10 0.00 0.00 34.13 32.29 1ba9 s GLU 21 CO -0.06 0.47 1.15 0.94 0.02 0.00 0.00 175.26 177.78 1ba9 n GLN 22 N 0.52 1.10 -0.08 1.61 7.27 -1.26 -0.43 117.38 126.11 1ba9 n GLN 22 Ca -0.13 -2.21 0.00 0.00 0.07 0.00 0.00 57.00 54.73 1ba9 n GLN 22 Cb 0.53 -0.73 0.00 0.00 2.41 0.00 0.00 30.24 32.46 1ba9 n GLN 22 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1ba9 n LYS 23 N -0.09 0.67 -0.00 3.69 2.85 -1.26 -3.15 118.16 120.86 1ba9 n LYS 23 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1ba9 n LYS 23 Cb 0.77 -1.17 -0.00 0.00 -0.65 0.00 0.00 35.03 33.98 1ba9 n LYS 23 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1ba9 n GLU 24 N 0.91 4.11 0.00 -1.58 4.07 -1.26 -5.04 120.64 121.85 1ba9 n GLU 24 Ca 0.00 -0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ba9 n GLU 24 Cb 0.33 -0.72 0.00 0.00 -0.06 0.00 0.00 31.44 31.00 1ba9 n GLU 24 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ba9 n SER 25 N -1.21 0.00 -2.63 4.31 7.64 -1.19 -3.76 113.62 116.78 1ba9 n SER 25 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1ba9 n SER 25 Cb 0.01 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.24 1ba9 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ba9 n ASN 26 N 2.13 2.26 -3.82 6.43 3.02 -1.26 -5.08 115.26 118.94 1ba9 n ASN 26 Ca 0.00 -2.71 -0.25 0.00 -0.03 0.00 0.00 54.58 51.59 1ba9 n ASN 26 Cb 0.00 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 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 -0.36 3.22 3.76 7.41 0.00 -1.25 -5.14 105.19 112.83 1ba9 n GLY 27 Ca 0.16 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.53 2.95 0.05 1.61 0.04 -1.26 -4.89 135.00 129.97 1ba9 s PRO 28 Ca 0.22 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1ba9 s PRO 28 Cb 0.01 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1ba9 s PRO 28 CO 0.15 -1.18 1.04 0.08 0.04 0.00 0.00 177.00 177.13 1ba9 s VAL 29 N -1.86 4.52 -0.25 -0.36 1.01 0.34 -4.69 120.40 119.11 1ba9 s VAL 29 Ca 0.73 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 64.45 1ba9 s VAL 29 Cb -0.26 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1ba9 s VAL 29 CO 0.34 0.19 0.34 -0.54 0.00 0.00 0.00 175.10 175.43 1ba9 s LYS 30 N 0.71 4.05 -0.03 2.72 -0.14 0.43 -0.80 119.74 126.67 1ba9 s LYS 30 Ca 0.52 0.01 0.07 0.00 -1.36 0.00 0.00 55.97 55.21 1ba9 s LYS 30 Cb -0.24 -3.62 -0.01 0.00 -1.68 0.00 0.00 37.83 32.27 1ba9 s LYS 30 CO 0.29 -0.19 -0.23 0.54 -0.76 0.00 0.00 175.35 175.00 1ba9 s VAL 31 N 1.80 1.86 0.24 3.17 0.11 0.17 -0.76 120.40 126.99 1ba9 s VAL 31 Ca 0.14 -0.99 -0.20 0.00 -2.93 0.00 0.00 61.98 58.00 1ba9 s VAL 31 Cb -0.15 -1.56 0.03 0.00 -1.53 0.00 0.00 36.38 33.16 1ba9 s VAL 31 CO 0.09 0.53 0.64 -1.66 -3.33 0.00 0.00 175.10 171.37 1ba9 s TRP 32 N -0.36 -0.19 -0.02 1.54 -2.14 -0.21 -0.56 118.94 117.00 1ba9 s TRP 32 Ca 0.04 -0.20 -0.10 0.00 2.66 0.00 0.00 56.10 58.49 1ba9 s TRP 32 Cb -0.11 0.58 0.03 0.00 -3.10 0.00 0.00 33.47 30.88 1ba9 s TRP 32 CO 0.01 -1.09 0.47 0.41 -2.66 0.00 0.00 176.95 174.09 1ba9 n GLY 33 N -0.42 0.40 3.12 3.67 0.00 -0.27 -0.11 105.19 111.58 1ba9 n GLY 33 Ca -0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.04 -1.13 0.79 1.61 1.04 -1.21 -0.54 113.70 112.22 1ba9 s SER 34 Ca 0.11 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 1ba9 s SER 34 Cb -0.00 1.77 0.07 0.00 0.10 0.00 0.00 66.02 67.96 1ba9 s SER 34 CO -0.01 -0.23 1.12 -0.51 0.98 0.00 0.00 173.24 174.60 1ba9 s ILE 35 N 2.14 2.81 -0.31 -1.02 2.07 -0.29 -3.79 121.20 122.81 1ba9 s ILE 35 Ca 0.14 0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 59.67 1ba9 s ILE 35 Cb -0.08 -2.65 0.13 0.00 0.13 0.00 0.00 42.46 39.99 1ba9 s ILE 35 CO -0.14 -0.31 0.27 -0.54 -1.91 0.00 0.00 174.94 172.30 1ba9 s LYS 36 N -4.60 0.36 0.00 3.50 1.02 0.16 -3.36 119.74 116.81 1ba9 s LYS 36 Ca 0.65 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1ba9 s LYS 36 Cb -0.21 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1ba9 s LYS 36 CO 0.53 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1ba9 n GLY 37 N 5.05 0.00 0.00 -3.33 0.00 0.02 -2.10 105.19 104.83 1ba9 n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ba9 n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ba9 n LEU 38 N 0.00 0.00 -3.96 0.99 7.94 0.43 -3.50 117.00 118.90 1ba9 n LEU 38 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 1ba9 n LEU 38 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 1ba9 n LEU 38 CO 0.00 0.00 -0.35 0.42 -1.11 0.00 0.00 177.39 176.35 1ba9 s THR 39 N 2.47 0.09 0.18 1.96 -4.23 -1.26 -4.44 115.64 110.41 1ba9 s THR 39 Ca 0.00 -0.77 -0.33 0.00 -1.18 0.00 0.00 61.69 59.41 1ba9 s THR 39 Cb 0.00 -0.23 -0.14 0.00 1.34 0.00 0.00 72.50 73.47 1ba9 s THR 39 CO 0.00 -0.42 1.47 -1.84 -0.54 0.00 0.00 174.62 173.28 1ba9 n GLU 40 N 1.81 1.93 0.00 3.99 0.00 -1.21 -4.49 120.64 122.67 1ba9 n GLU 40 Ca -0.22 0.69 0.00 0.00 0.00 0.00 0.00 57.16 57.63 1ba9 n GLU 40 Cb 0.56 -2.39 0.00 0.00 0.00 0.00 0.00 31.44 29.61 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 2.80 0.53 2.96 -1.84 0.00 -1.04 -4.95 105.19 103.66 1ba9 n GLY 41 Ca 0.15 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 1.68 -0.02 0.99 2.34 -1.26 -0.15 118.68 122.26 1ba9 s LEU 42 Ca 0.00 0.16 0.03 0.00 0.06 0.00 0.00 54.13 54.38 1ba9 s LEU 42 Cb 0.00 0.29 -0.00 0.00 -0.56 0.00 0.00 46.19 45.92 1ba9 s LEU 42 CO 0.00 -0.04 -0.11 -1.00 -1.06 0.00 0.00 176.35 174.14 1ba9 s HIS 43 N 0.02 1.10 -0.24 3.48 3.76 -1.25 -2.18 115.29 119.97 1ba9 s HIS 43 Ca -0.00 -0.25 -0.29 0.00 -0.15 0.00 0.00 55.06 54.37 1ba9 s HIS 43 Cb -0.01 -0.74 -0.00 0.00 1.11 0.00 0.00 32.58 32.94 1ba9 s HIS 43 CO 0.00 -0.07 1.22 0.20 -0.85 0.00 0.00 174.74 175.24 1ba9 s GLY 44 N -0.04 1.55 -0.24 -2.22 0.00 0.16 -0.29 107.32 106.24 1ba9 s GLY 44 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.89 1ba9 s GLY 44 CO 0.00 2.45 0.03 -0.12 0.00 0.00 0.00 173.10 175.46 1ba9 s PHE 45 N 3.78 3.04 0.24 1.90 5.36 0.26 -3.02 117.98 129.54 1ba9 s PHE 45 Ca 0.52 -0.59 -0.09 0.00 -0.96 0.00 0.00 56.93 55.82 1ba9 s PHE 45 Cb -0.18 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.31 1ba9 s PHE 45 CO 0.16 -0.40 0.38 -1.01 -1.46 0.00 0.00 175.22 172.89 1ba9 s HIS 46 N 1.51 0.63 -0.25 10.12 3.76 -0.01 -3.18 115.29 127.86 1ba9 s HIS 46 Ca 0.06 -0.94 -0.09 0.00 -0.15 0.00 0.00 55.06 53.93 1ba9 s HIS 46 Cb -0.15 -0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.46 1ba9 s HIS 46 CO 0.01 -0.90 0.13 0.14 -0.85 0.00 0.00 174.74 173.27 1ba9 s VAL 47 N -4.00 4.93 -0.00 -0.90 -7.23 -1.22 -0.76 120.40 111.21 1ba9 s VAL 47 Ca 0.28 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.37 1ba9 s VAL 47 Cb 0.01 -3.32 -0.05 0.00 0.56 0.00 0.00 36.38 33.59 1ba9 s VAL 47 CO 0.10 0.32 0.34 -1.00 -0.31 0.00 0.00 175.10 174.55 1ba9 s HIS 48 N 1.45 3.65 -1.15 2.82 3.76 0.84 -1.07 115.29 125.59 1ba9 s HIS 48 Ca 0.06 0.81 -0.21 0.00 -0.15 0.00 0.00 55.06 55.57 1ba9 s HIS 48 Cb -0.15 -2.16 0.02 0.00 1.11 0.00 0.00 32.58 31.40 1ba9 s HIS 48 CO 0.06 0.63 1.72 -2.00 -0.85 0.00 0.00 174.74 174.30 1ba9 s GLU 49 N -1.35 3.41 0.00 1.40 -6.30 -0.45 -3.49 118.70 111.92 1ba9 s GLU 49 Ca 0.25 -1.38 0.00 0.00 -2.50 0.00 0.00 54.97 51.33 1ba9 s GLU 49 Cb -0.15 -5.37 0.00 0.00 0.00 0.00 0.00 34.13 28.61 1ba9 s GLU 49 CO 0.13 -2.71 0.00 -0.85 0.02 0.00 0.00 175.26 171.85 1ba9 n GLU 50 N 8.57 0.00 -0.70 4.30 0.28 -1.26 -4.50 120.64 127.32 1ba9 n GLU 50 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1ba9 n GLU 50 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 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 0.00 0.00 -1.78 3.44 0.00 -1.26 -2.71 120.64 118.34 1ba9 n GLU 51 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 1ba9 n GLU 51 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1ba9 n GLU 51 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1ba9 s ASP 52 N 0.22 4.13 0.14 -1.84 -4.77 -1.26 -3.97 116.67 109.32 1ba9 s ASP 52 Ca 0.00 -0.94 0.00 0.00 -3.30 0.00 0.00 52.55 48.31 1ba9 s ASP 52 Cb 0.00 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 1ba9 s ASP 52 CO 0.00 -3.93 0.00 0.59 0.70 0.00 0.00 175.17 172.53 1ba9 n ASN 53 N 17.45 -0.47 -3.36 2.11 3.02 -1.26 -4.97 115.26 127.78 1ba9 n ASN 53 Ca 0.43 0.25 -0.33 0.00 -0.03 0.00 0.00 54.58 54.91 1ba9 n ASN 53 Cb 0.46 0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ba9 n THR 54 N -2.91 2.96 -0.33 3.41 -2.24 -1.25 -4.72 114.28 109.20 1ba9 n THR 54 Ca 0.00 -1.97 0.23 0.00 -2.27 0.00 0.00 64.05 60.04 1ba9 n THR 54 Cb 0.00 -2.35 0.50 0.00 -2.10 0.00 0.00 70.33 66.38 1ba9 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ba9 h ALA 55 N 6.19 2.20 -0.06 6.98 0.00 -1.93 0.28 119.26 132.92 1ba9 h ALA 55 Ca 0.60 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.60 1ba9 h ALA 55 Cb 0.34 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ba9 h ALA 55 CO 1.68 -0.63 0.06 0.78 0.00 0.00 0.00 179.25 181.14 1ba9 h GLY 56 N 0.40 0.00 -5.76 0.00 0.00 -2.04 -3.46 103.07 92.20 1ba9 h GLY 56 Ca 0.61 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.58 1ba9 h GLY 56 CO -0.33 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 175.48 1ba9 n THR 58 N -4.54 0.00 0.06 0.00 -1.04 -1.26 -4.76 114.28 102.73 1ba9 n THR 58 Ca -0.15 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.73 1ba9 n THR 58 Cb 0.62 -0.87 -0.09 0.00 -1.82 0.00 0.00 70.33 68.17 1ba9 n THR 58 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ba9 h SER 59 N 0.00 -0.12 0.00 8.00 4.64 -1.95 -3.47 113.55 120.65 1ba9 h SER 59 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1ba9 h SER 59 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ba9 h SER 59 CO 0.00 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.17 1ba9 n ALA 60 N -2.33 0.00 -3.71 5.18 0.00 -1.26 -4.64 120.51 113.74 1ba9 n ALA 60 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1ba9 n ALA 60 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 -0.24 0.93 0.00 0.00 -1.26 -4.82 107.32 101.94 1ba9 s GLY 61 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.52 1ba9 s GLY 61 CO 0.00 -0.03 1.11 2.56 0.00 0.00 0.00 173.10 176.74 1ba9 s PRO 62 N -3.87 0.95 0.01 2.90 0.04 -1.26 -4.55 135.00 129.22 1ba9 s PRO 62 Ca 0.08 0.49 -0.36 0.00 0.04 0.00 0.00 61.00 61.26 1ba9 s PRO 62 Cb -0.04 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.55 1ba9 s PRO 62 CO 0.01 -2.37 1.62 0.72 0.04 0.00 0.00 177.00 177.02 1ba9 n HIS 63 N -3.92 2.07 -2.13 0.56 8.25 -1.26 -1.34 115.22 117.44 1ba9 n HIS 63 Ca 0.06 0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 57.42 1ba9 n HIS 63 Cb 0.58 -2.51 -0.02 0.00 1.12 0.00 0.00 29.99 29.15 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 2.00 2.07 -0.47 4.41 5.36 -0.24 -4.76 117.98 126.35 1ba9 s PHE 64 Ca 0.87 0.62 0.09 0.00 -0.96 0.00 0.00 56.93 57.54 1ba9 s PHE 64 Cb -0.81 -4.13 0.32 0.00 -0.34 0.00 0.00 43.02 38.06 1ba9 s PHE 64 CO 0.48 -2.66 0.77 0.27 -1.46 0.00 0.00 175.22 172.62 1ba9 n ASN 65 N 9.30 2.24 0.29 6.13 6.94 -1.26 -2.87 115.26 136.04 1ba9 n ASN 65 Ca 0.20 -3.23 0.20 0.00 -0.02 0.00 0.00 54.58 51.72 1ba9 n ASN 65 Cb 0.47 -0.61 0.96 0.00 -2.36 0.00 0.00 39.78 38.24 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1ba9 h PRO 66 N 3.26 0.00 0.00 -0.53 0.13 -1.96 0.88 132.00 133.78 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 0.63 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 1ba9 n LEU 67 N -2.97 0.04 -3.57 1.56 4.77 -1.26 -4.92 117.00 110.66 1ba9 n LEU 67 Ca -0.01 0.51 -0.24 0.00 -0.03 0.00 0.00 56.01 56.24 1ba9 n LEU 67 Cb 0.15 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1ba9 n LEU 67 CO 0.21 -0.20 0.25 -0.24 -1.33 0.00 0.00 177.39 176.07 1ba9 n SER 68 N -1.54 -6.32 -4.86 -1.43 2.88 0.30 -5.02 113.62 97.64 1ba9 n SER 68 Ca 0.04 -0.54 -0.21 0.00 -1.33 0.00 0.00 58.87 56.84 1ba9 n SER 68 Cb 0.21 -4.99 -0.03 0.00 -0.75 0.00 0.00 64.21 58.65 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 -6.30 2.64 0.95 -1.46 0.52 -1.26 -5.14 118.95 108.90 1ba9 s ARG 69 Ca 0.58 -1.40 -0.13 0.00 -0.52 0.00 0.00 55.73 54.26 1ba9 s ARG 69 Cb -0.25 -2.43 0.16 0.00 0.52 0.00 0.00 34.95 32.95 1ba9 s ARG 69 CO 0.72 -0.02 1.15 0.15 0.02 0.00 0.00 175.30 177.32 1ba9 s LYS 70 N -4.04 0.81 0.60 3.54 1.02 -1.26 -4.77 119.74 115.65 1ba9 s LYS 70 Ca 0.44 0.19 -0.17 0.00 0.02 0.00 0.00 55.97 56.45 1ba9 s LYS 70 Cb -0.05 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1ba9 s LYS 70 CO 0.27 -2.40 1.11 -1.58 -0.92 0.00 0.00 175.35 171.83 1ba9 s HIS 71 N -3.30 2.70 0.00 3.18 5.65 0.05 -3.18 115.29 120.40 1ba9 s HIS 71 Ca 0.66 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.51 1ba9 s HIS 71 Cb -0.13 -3.18 0.00 0.00 -1.18 0.00 0.00 32.58 28.08 1ba9 s HIS 71 CO 0.54 -1.54 0.00 0.41 -0.65 0.00 0.00 174.74 173.50 1ba9 n GLY 72 N -0.34 1.66 3.51 1.59 0.00 -0.98 -4.13 105.19 106.50 1ba9 n GLY 72 Ca 0.11 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1ba9 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ba9 s GLY 73 N 0.00 2.48 0.58 -0.02 0.00 -1.26 -4.44 107.32 104.66 1ba9 s GLY 73 Ca 0.00 -1.40 0.31 0.00 0.00 0.00 0.00 44.72 43.63 1ba9 s GLY 73 CO 0.00 -1.85 2.21 -0.56 0.00 0.00 0.00 173.10 172.89 1ba9 h PRO 74 N 1.85 0.00 0.00 2.90 0.13 -1.90 -0.88 132.00 134.09 1ba9 h PRO 74 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1ba9 h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ba9 h PRO 74 CO 0.62 0.04 -0.23 0.36 -0.23 0.00 0.00 178.00 178.56 1ba9 n LYS 75 N -3.66 0.11 -4.13 0.86 2.85 -1.26 -4.91 118.16 108.02 1ba9 n LYS 75 Ca -0.03 0.06 -0.27 0.00 -1.05 0.00 0.00 58.31 57.02 1ba9 n LYS 75 Cb 0.14 -1.60 -0.07 0.00 -0.65 0.00 0.00 35.03 32.85 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ba9 s ASP 76 N -3.53 5.21 0.08 -5.58 1.11 -0.34 -5.03 116.67 108.58 1ba9 s ASP 76 Ca 0.11 -0.21 0.08 0.00 0.18 0.00 0.00 52.55 52.71 1ba9 s ASP 76 Cb 0.16 -1.27 -0.22 0.00 1.07 0.00 0.00 42.92 42.66 1ba9 s ASP 76 CO 0.62 0.10 1.11 -0.08 1.18 0.00 0.00 175.17 178.10 1ba9 h GLU 77 N 2.74 0.01 -4.39 8.23 4.57 -1.91 -3.38 114.58 120.46 1ba9 h GLU 77 Ca -0.47 -0.02 -0.74 0.00 -1.18 0.00 0.00 59.36 56.95 1ba9 h GLU 77 Cb 1.19 0.01 -0.22 0.00 -0.16 0.00 0.00 28.75 29.57 1ba9 h GLU 77 CO 0.61 0.88 0.23 -1.21 -1.18 0.00 0.00 179.01 178.35 1ba9 s GLU 78 N -2.68 3.37 -0.01 1.92 2.02 -1.26 -4.98 118.70 117.07 1ba9 s GLU 78 Ca -0.01 -1.88 -0.01 0.00 0.02 0.00 0.00 54.97 53.10 1ba9 s GLU 78 Cb 0.09 -4.47 0.01 0.00 0.10 0.00 0.00 34.13 29.86 1ba9 s GLU 78 CO 0.82 -1.48 0.03 -0.98 0.02 0.00 0.00 175.26 173.67 1ba9 s ARG 79 N 1.65 0.01 0.99 1.61 1.70 -1.19 -2.33 118.95 121.39 1ba9 s ARG 79 Ca 0.18 0.07 -0.15 0.00 -0.47 0.00 0.00 55.73 55.36 1ba9 s ARG 79 Cb -0.15 -0.04 0.19 0.00 -0.57 0.00 0.00 34.95 34.37 1ba9 s ARG 79 CO -0.03 -0.04 1.18 -1.01 -1.08 0.00 0.00 175.30 174.32 1ba9 s HIS 80 N 0.24 1.80 0.11 5.89 3.76 -1.23 -4.82 115.29 121.04 1ba9 s HIS 80 Ca -0.02 0.63 -0.34 0.00 -0.15 0.00 0.00 55.06 55.18 1ba9 s HIS 80 Cb -0.03 -3.59 -0.13 0.00 1.11 0.00 0.00 32.58 29.94 1ba9 s HIS 80 CO -0.01 -2.79 1.56 0.28 -0.85 0.00 0.00 174.74 172.93 1ba9 h VAL 81 N -1.79 0.03 -0.29 -0.90 2.07 -1.89 -2.02 116.25 111.47 1ba9 h VAL 81 Ca -0.48 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1ba9 h VAL 81 Cb 1.30 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1ba9 h VAL 81 CO 0.49 0.00 0.10 0.61 0.02 0.00 0.00 177.57 178.79 1ba9 n GLY 82 N -1.48 2.42 2.94 2.17 0.00 -1.24 -4.73 105.19 105.27 1ba9 n GLY 82 Ca -0.08 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 83 N 0.10 4.17 -2.03 1.61 9.92 -0.76 -3.44 116.55 126.12 1ba9 n ASP 83 Ca 0.16 -2.87 -0.17 0.00 -0.53 0.00 0.00 54.79 51.38 1ba9 n ASP 83 Cb 0.75 -1.68 -0.02 0.00 -0.64 0.00 0.00 41.12 39.53 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ba9 n LEU 84 N 6.58 6.20 0.00 0.64 4.77 -1.19 -3.33 117.00 130.66 1ba9 n LEU 84 Ca 0.51 -3.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 1ba9 n LEU 84 Cb 0.41 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1ba9 n LEU 84 CO 0.86 1.40 0.00 0.61 -1.33 0.00 0.00 177.39 178.93 1ba9 n GLY 85 N 0.89 0.59 3.18 -0.72 0.00 -1.26 -4.35 105.19 103.51 1ba9 n GLY 85 Ca 0.33 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.21 1.39 0.01 1.61 6.03 -1.26 -0.58 114.94 120.94 1ba9 s ASN 86 Ca 0.00 -0.87 0.00 0.00 -1.03 0.00 0.00 52.86 50.96 1ba9 s ASN 86 Cb 0.00 0.03 0.00 0.00 -3.03 0.00 0.00 41.25 38.25 1ba9 s ASN 86 CO 0.00 -0.31 0.00 1.33 -2.03 0.00 0.00 177.10 176.09 1ba9 n VAL 87 N 0.37 0.00 -3.50 3.54 0.24 0.60 -4.86 118.33 114.71 1ba9 n VAL 87 Ca -0.15 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1ba9 n VAL 87 Cb 0.59 -1.24 -0.10 0.00 -1.47 0.00 0.00 33.84 31.62 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 1.48 -0.53 0.11 3.34 2.01 -1.26 -3.87 115.64 116.92 1ba9 s THR 88 Ca 0.00 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 1ba9 s THR 88 Cb 0.00 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.76 1ba9 s THR 88 CO 0.00 -0.04 0.61 0.00 -0.69 0.00 0.00 174.62 174.49 1ba9 s ALA 89 N 2.50 3.55 1.09 7.40 0.00 0.78 -4.16 121.76 132.93 1ba9 s ALA 89 Ca 0.06 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 1ba9 s ALA 89 Cb -0.14 -2.68 0.23 0.00 0.00 0.00 0.00 23.12 20.54 1ba9 s ALA 89 CO -0.13 0.39 1.15 0.34 0.00 0.00 0.00 175.76 177.51 1ba9 s ASP 90 N -1.25 1.95 0.29 0.00 -1.08 0.52 -2.49 116.67 114.61 1ba9 s ASP 90 Ca 0.32 0.70 0.23 0.00 -0.52 0.00 0.00 52.55 53.29 1ba9 s ASP 90 Cb -0.19 -1.03 1.08 0.00 -1.46 0.00 0.00 42.92 41.32 1ba9 s ASP 90 CO 0.20 -3.49 1.71 1.17 0.52 0.00 0.00 175.17 175.28 1ba9 n LYS 91 N -4.35 0.18 -0.01 4.34 4.81 -1.26 -0.37 118.16 121.50 1ba9 n LYS 91 Ca 0.11 0.51 0.14 0.00 -0.87 0.00 0.00 58.31 58.20 1ba9 n LYS 91 Cb 0.59 -1.92 0.57 0.00 0.02 0.00 0.00 35.03 34.28 1ba9 n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ba9 n ASP 92 N -2.28 1.29 -2.61 3.14 2.03 -1.26 -4.78 116.55 112.08 1ba9 n ASP 92 Ca 0.01 -1.45 -0.15 0.00 0.52 0.00 0.00 54.79 53.71 1ba9 n ASP 92 Cb 0.16 -0.01 0.06 0.00 -0.72 0.00 0.00 41.12 40.60 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 1.14 -0.07 3.12 0.27 0.00 0.50 -4.61 105.19 105.53 1ba9 n GLY 93 Ca 0.19 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.22 2.11 -0.41 1.61 1.01 -1.25 -0.43 120.40 119.82 1ba9 s VAL 94 Ca 0.29 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1ba9 s VAL 94 Cb -0.13 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.40 1ba9 s VAL 94 CO 0.49 0.48 0.24 0.00 0.00 0.00 0.00 175.10 176.32 1ba9 s ALA 95 N 1.28 3.27 -0.50 5.51 0.00 -1.21 -0.36 121.76 129.75 1ba9 s ALA 95 Ca 0.04 -2.08 -0.26 0.00 0.00 0.00 0.00 51.96 49.65 1ba9 s ALA 95 Cb -0.14 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.40 1ba9 s ALA 95 CO -0.12 -1.60 1.00 -0.51 0.00 0.00 0.00 175.76 174.53 1ba9 s ASP 96 N 2.01 6.49 0.20 0.00 1.01 -1.26 -1.14 116.67 123.98 1ba9 s ASP 96 Ca 0.03 0.09 -0.17 0.00 0.71 0.00 0.00 52.55 53.21 1ba9 s ASP 96 Cb -0.22 -2.48 -0.08 0.00 1.01 0.00 0.00 42.92 41.15 1ba9 s ASP 96 CO 0.02 -1.18 0.65 -0.69 0.21 0.00 0.00 175.17 174.19 1ba9 s VAL 97 N 4.09 4.71 -0.29 -1.27 1.01 0.29 -4.80 120.40 124.13 1ba9 s VAL 97 Ca 0.39 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 1ba9 s VAL 97 Cb -0.10 -3.77 0.19 0.00 0.00 0.00 0.00 36.38 32.71 1ba9 s VAL 97 CO 0.26 0.16 0.75 -0.55 0.00 0.00 0.00 175.10 175.72 1ba9 s SER 98 N -1.78 -1.21 0.36 3.32 0.15 -1.26 -1.12 113.70 112.17 1ba9 s SER 98 Ca 0.42 0.19 -0.05 0.00 0.70 0.00 0.00 55.95 57.22 1ba9 s SER 98 Cb -0.15 1.79 0.02 0.00 -1.71 0.00 0.00 66.02 65.97 1ba9 s SER 98 CO 0.20 -0.22 0.55 0.00 1.20 0.00 0.00 173.24 174.97 1ba9 n ILE 99 N 5.33 0.00 -4.06 6.45 3.06 0.27 -4.99 119.36 125.41 1ba9 n ILE 99 Ca 0.06 -1.60 -0.09 0.00 -2.50 0.00 0.00 62.75 58.62 1ba9 n ILE 99 Cb 0.55 1.07 -0.09 0.00 0.54 0.00 0.00 39.64 41.71 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 -2.64 0.93 0.08 9.51 -1.05 -1.26 -0.66 118.70 123.61 1ba9 s GLU 100 Ca 0.26 -1.29 -0.16 0.00 -0.15 0.00 0.00 54.97 53.63 1ba9 s GLU 100 Cb -0.02 0.28 0.03 0.00 -0.44 0.00 0.00 34.13 33.98 1ba9 s GLU 100 CO 0.19 -0.28 0.37 -0.51 0.95 0.00 0.00 175.26 175.98 1ba9 s ASP 101 N -2.99 -0.20 0.00 0.83 1.01 0.02 -4.96 116.67 110.38 1ba9 s ASP 101 Ca 0.18 -0.22 0.09 0.00 0.71 0.00 0.00 52.55 53.31 1ba9 s ASP 101 Cb 0.06 0.43 0.16 0.00 1.01 0.00 0.00 42.92 44.58 1ba9 s ASP 101 CO -0.02 -0.74 0.99 -1.54 0.21 0.00 0.00 175.17 174.07 1ba9 n SER 102 N 0.17 2.24 -0.10 0.27 3.41 -1.26 -0.50 113.62 117.84 1ba9 n SER 102 Ca -0.17 -1.66 -0.17 0.00 -0.26 0.00 0.00 58.87 56.61 1ba9 n SER 102 Cb 0.62 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 1ba9 n SER 102 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ba9 n VAL 103 N 0.47 1.50 -1.23 -3.33 0.24 -1.26 -4.93 118.33 109.78 1ba9 n VAL 103 Ca 0.08 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.34 62.07 1ba9 n VAL 103 Cb 0.31 -2.15 0.18 0.00 -1.47 0.00 0.00 33.84 30.71 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1ba9 s ILE 104 N -2.48 1.94 0.08 1.34 -0.00 -1.26 -4.94 121.20 115.88 1ba9 s ILE 104 Ca -0.28 0.00 -0.27 0.00 -0.00 0.00 0.00 60.65 60.10 1ba9 s ILE 104 Cb 0.07 -2.55 0.08 0.00 -0.00 0.00 0.00 42.46 40.06 1ba9 s ILE 104 CO 0.44 0.00 1.01 -0.55 -0.00 0.00 0.00 174.94 175.84 1ba9 s SER 105 N -3.65 -0.19 -0.33 4.36 0.15 -1.26 -4.65 113.70 108.13 1ba9 s SER 105 Ca 0.66 -0.27 0.09 0.00 0.70 0.00 0.00 55.95 57.14 1ba9 s SER 105 Cb -0.16 0.40 0.74 0.00 -1.71 0.00 0.00 66.02 65.28 1ba9 s SER 105 CO 0.57 -0.72 1.80 0.18 1.20 0.00 0.00 173.24 176.27 1ba9 n LEU 106 N -0.42 6.11 -3.83 3.45 4.32 -1.26 -0.57 117.00 124.80 1ba9 n LEU 106 Ca -0.07 -3.18 -0.09 0.00 -0.02 0.00 0.00 56.01 52.65 1ba9 n LEU 106 Cb 0.61 -0.75 -0.04 0.00 -1.62 0.00 0.00 43.42 41.62 1ba9 n LEU 106 CO 0.13 0.81 0.27 -0.94 -1.22 0.00 0.00 177.39 176.44 1ba9 s SER 107 N -0.98 -0.21 0.64 -1.43 1.04 -1.26 -4.73 113.70 106.77 1ba9 s SER 107 Ca 0.54 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1ba9 s SER 107 Cb 0.43 0.60 0.00 0.00 0.10 0.00 0.00 66.02 67.16 1ba9 s SER 107 CO 0.13 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1ba9 n GLY 108 N -0.37 0.58 0.20 7.32 0.00 -1.26 -2.24 105.19 109.42 1ba9 n GLY 108 Ca -0.07 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 1ba9 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ba9 h ASP 109 N 8.68 0.46 0.40 1.61 3.58 -2.00 -3.29 116.42 125.86 1ba9 h ASP 109 Ca 0.00 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 1ba9 h ASP 109 Cb 0.00 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 1ba9 h ASP 109 CO 0.00 0.90 -0.06 0.45 -2.88 0.00 0.00 179.24 177.65 1ba9 h HIS 110 N 0.33 0.00 0.00 0.28 3.86 -1.84 -3.45 115.15 114.32 1ba9 h HIS 110 Ca 0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1ba9 h HIS 110 Cb 1.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 1ba9 h HIS 110 CO 0.03 0.06 0.24 0.43 0.86 0.00 0.00 177.93 179.55 1ba9 n SER 111 N -3.42 -0.14 0.26 2.45 7.64 -0.95 -4.05 113.62 115.41 1ba9 n SER 111 Ca -0.02 -0.05 0.13 0.00 1.01 0.00 0.00 58.87 59.94 1ba9 n SER 111 Cb 0.21 -0.07 0.72 0.00 -1.01 0.00 0.00 64.21 64.05 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1ba9 h ILE 112 N 0.84 0.56 -1.83 0.44 3.07 -1.15 -3.42 117.51 116.02 1ba9 h ILE 112 Ca 0.00 -0.55 -0.62 0.00 1.55 0.00 0.00 64.86 65.24 1ba9 h ILE 112 Cb 0.14 1.36 0.01 0.00 -0.27 0.00 0.00 36.82 38.05 1ba9 h ILE 112 CO 0.19 0.12 1.25 -0.38 -1.05 0.00 0.00 178.15 178.27 1ba9 n ILE 113 N -3.63 0.46 0.00 0.16 2.08 -1.26 -0.54 119.36 116.63 1ba9 n ILE 113 Ca -0.02 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1ba9 n ILE 113 Cb 0.24 -1.97 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 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 5.13 2.22 3.76 7.39 0.00 0.47 -5.01 105.19 119.15 1ba9 n GLY 114 Ca 0.28 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 3.70 0.28 1.61 1.81 0.30 -4.18 118.95 122.47 1ba9 s ARG 115 Ca 0.00 2.23 -0.29 0.00 -1.72 0.00 0.00 55.73 55.95 1ba9 s ARG 115 Cb 0.00 -2.60 -0.09 0.00 -0.45 0.00 0.00 34.95 31.81 1ba9 s ARG 115 CO 0.00 -0.74 0.98 0.99 -0.68 0.00 0.00 175.30 175.85 1ba9 s THR 116 N -1.27 3.95 0.15 0.02 2.01 -1.10 -1.00 115.64 118.40 1ba9 s THR 116 Ca 0.62 1.86 0.09 0.00 0.31 0.00 0.00 61.69 64.56 1ba9 s THR 116 Cb -0.40 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 1ba9 s THR 116 CO 0.50 0.37 -0.21 -1.48 -0.69 0.00 0.00 174.62 173.11 1ba9 s LEU 117 N -1.51 2.39 -0.04 4.42 2.34 0.38 -0.11 118.68 126.55 1ba9 s LEU 117 Ca 0.45 -0.80 -0.04 0.00 0.06 0.00 0.00 54.13 53.80 1ba9 s LEU 117 Cb -0.26 -0.93 0.01 0.00 -0.56 0.00 0.00 46.19 44.45 1ba9 s LEU 117 CO 0.32 0.04 0.11 -0.69 -1.06 0.00 0.00 176.35 175.07 1ba9 s VAL 118 N -1.64 -0.01 -0.17 1.48 1.01 0.06 -0.97 120.40 120.15 1ba9 s VAL 118 Ca 0.14 0.03 0.22 0.00 0.00 0.00 0.00 61.98 62.36 1ba9 s VAL 118 Cb -0.08 -0.17 -0.10 0.00 0.00 0.00 0.00 36.38 36.03 1ba9 s VAL 118 CO 0.06 0.01 0.86 0.55 0.00 0.00 0.00 175.10 176.59 1ba9 n VAL 119 N 3.19 0.57 -1.54 2.92 3.14 -1.23 -0.83 118.33 124.54 1ba9 n VAL 119 Ca -0.14 -0.56 0.05 0.00 -2.96 0.00 0.00 64.34 60.73 1ba9 n VAL 119 Cb 0.58 -0.31 -0.03 0.00 -1.06 0.00 0.00 33.84 33.02 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 -2.61 -4.20 0.17 1.45 8.25 -1.17 -1.94 115.22 115.18 1ba9 n HIS 120 Ca -0.03 2.29 0.03 0.00 -0.26 0.00 0.00 57.72 59.75 1ba9 n HIS 120 Cb 0.61 -3.61 0.31 0.00 1.12 0.00 0.00 29.99 28.41 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 -0.31 0.00 0.00 -0.41 4.22 -0.98 -3.38 114.58 113.72 1ba9 h GLU 121 Ca -0.06 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.00 1ba9 h GLU 121 Cb 1.10 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.26 1ba9 h GLU 121 CO 0.02 0.45 -0.33 1.63 -2.18 0.00 0.00 179.01 178.60 1ba9 n LYS 122 N -3.77 0.56 -1.05 1.92 5.02 -1.25 -4.91 118.16 114.69 1ba9 n LYS 122 Ca -0.01 -2.41 -0.31 0.00 -2.02 0.00 0.00 58.31 53.56 1ba9 n LYS 122 Cb 0.51 1.50 0.12 0.00 -0.02 0.00 0.00 35.03 37.14 1ba9 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ba9 s ALA 123 N -2.83 1.92 0.05 7.82 0.00 -0.93 -0.67 121.76 127.12 1ba9 s ALA 123 Ca 0.19 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 1ba9 s ALA 123 Cb 0.01 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1ba9 s ALA 123 CO 0.13 -2.17 0.56 0.16 0.00 0.00 0.00 175.76 174.45 1ba9 s ASP 124 N -3.13 7.03 0.00 0.00 1.47 -1.26 -3.78 116.67 117.00 1ba9 s ASP 124 Ca 0.63 1.23 0.00 0.00 1.18 0.00 0.00 52.55 55.59 1ba9 s ASP 124 Cb -0.19 -2.35 0.00 0.00 -0.34 0.00 0.00 42.92 40.03 1ba9 s ASP 124 CO 0.57 0.24 0.25 0.47 0.68 0.00 0.00 175.17 177.38 1ba9 n ASP 125 N 1.93 0.13 -3.05 2.11 8.00 0.47 -4.75 116.55 121.39 1ba9 n ASP 125 Ca -0.10 -0.63 -0.21 0.00 0.71 0.00 0.00 54.79 54.56 1ba9 n ASP 125 Cb 0.51 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 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 -0.14 -1.97 -2.94 0.64 7.99 -1.26 -1.78 117.00 117.54 1ba9 n LEU 126 Ca 0.00 -0.25 -0.12 0.00 -0.01 0.00 0.00 56.01 55.63 1ba9 n LEU 126 Cb 0.03 -2.51 -0.01 0.00 -0.11 0.00 0.00 43.42 40.82 1ba9 n LEU 126 CO 0.00 0.13 -0.06 0.61 -1.51 0.00 0.00 177.39 176.56 1ba9 n GLY 127 N -1.26 -0.48 0.89 -0.72 0.00 -1.26 -4.48 105.19 97.88 1ba9 n GLY 127 Ca -0.08 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ba9 n LYS 128 N -2.98 1.13 -0.56 1.61 2.85 -0.73 -4.47 118.16 115.00 1ba9 n LYS 128 Ca -0.01 -2.92 -0.10 0.00 -1.05 0.00 0.00 58.31 54.23 1ba9 n LYS 128 Cb 0.52 -1.14 0.06 0.00 -0.65 0.00 0.00 35.03 33.82 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ba9 n GLY 129 N -0.63 3.16 3.56 2.58 0.00 -1.26 -4.92 105.19 107.68 1ba9 n GLY 129 Ca 0.15 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 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 0.09 -0.13 3.64 -0.02 0.00 -1.26 -4.78 105.19 102.72 1ba9 n GLY 130 Ca 0.23 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.83 -0.65 0.22 1.61 2.47 -1.26 -5.02 114.94 108.47 1ba9 s ASN 131 Ca 0.05 1.19 -0.17 0.00 0.42 0.00 0.00 52.86 54.35 1ba9 s ASN 131 Cb -0.03 1.23 0.22 0.00 -1.45 0.00 0.00 41.25 41.22 1ba9 s ASN 131 CO 0.54 -0.20 1.57 -0.08 -3.72 0.00 0.00 177.10 175.21 1ba9 h GLU 132 N 5.17 -0.06 0.00 0.43 4.22 -1.94 0.27 114.58 122.68 1ba9 h GLU 132 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.16 1ba9 h GLU 132 Cb 1.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ba9 h GLU 132 CO 0.10 -0.04 0.00 0.94 -2.18 0.00 0.00 179.01 177.83 1ba9 n GLN 133 N -5.47 0.00 -0.34 1.92 0.00 -1.26 -0.80 117.38 111.43 1ba9 n GLN 133 Ca 0.08 0.51 0.15 0.00 -0.00 0.00 0.00 57.00 57.75 1ba9 n GLN 133 Cb 0.39 -1.30 0.30 0.00 0.00 0.00 0.00 30.24 29.63 1ba9 n GLN 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ba9 n SER 134 N -1.74 -0.10 0.00 1.69 3.41 -0.95 0.53 113.62 116.46 1ba9 n SER 134 Ca 0.00 1.69 0.11 0.00 -0.26 0.00 0.00 58.87 60.41 1ba9 n SER 134 Cb 0.00 -0.62 0.63 0.00 -0.26 0.00 0.00 64.21 63.95 1ba9 n SER 134 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ba9 n THR 135 N -5.49 0.00 -0.01 6.66 -1.04 0.92 -0.03 114.28 115.28 1ba9 n THR 135 Ca 0.24 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.22 1ba9 n THR 135 Cb 0.79 -0.50 -0.01 0.00 -1.82 0.00 0.00 70.33 68.79 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ba9 n LYS 136 N -0.90 0.07 -0.06 -2.82 4.81 0.63 -0.77 118.16 119.12 1ba9 n LYS 136 Ca 0.16 0.02 -0.06 0.00 -0.87 0.00 0.00 58.31 57.56 1ba9 n LYS 136 Cb 0.07 -0.89 -0.09 0.00 0.02 0.00 0.00 35.03 34.15 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 -2.80 0.80 -0.35 3.15 -2.24 0.19 -4.57 114.28 108.46 1ba9 n THR 137 Ca -0.05 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1ba9 n THR 137 Cb 0.55 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 2.31 0.81 3.77 3.38 0.00 0.95 -4.52 105.19 111.89 1ba9 n GLY 138 Ca -0.19 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.16 0.00 -0.33 1.61 2.85 -1.26 -0.39 115.26 117.89 1ba9 n ASN 139 Ca 0.00 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.65 1ba9 n ASN 139 Cb 0.00 -1.17 0.39 0.00 1.24 0.00 0.00 39.78 40.23 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ba9 h ALA 140 N 0.00 1.72 0.00 5.20 0.00 -1.79 -3.47 119.26 120.91 1ba9 h ALA 140 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ba9 h ALA 140 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ba9 h ALA 140 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.28 1ba9 n GLY 141 N -1.32 0.38 3.66 0.00 0.00 -1.26 -3.83 105.19 102.82 1ba9 n GLY 141 Ca 0.27 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 s SER 142 N -4.00 2.45 -0.59 1.61 0.01 -1.26 -4.80 113.70 107.12 1ba9 s SER 142 Ca 0.00 1.23 -0.16 0.00 1.31 0.00 0.00 55.95 58.33 1ba9 s SER 142 Cb 0.00 -1.91 0.14 0.00 0.21 0.00 0.00 66.02 64.47 1ba9 s SER 142 CO 0.00 -3.24 0.56 -0.13 0.41 0.00 0.00 173.24 170.84 1ba9 s ARG 143 N -4.91 3.10 0.15 12.44 3.00 -1.26 -0.36 118.95 131.11 1ba9 s ARG 143 Ca 0.66 -1.81 -0.19 0.00 0.00 0.00 0.00 55.73 54.39 1ba9 s ARG 143 Cb -0.19 -4.32 0.05 0.00 0.00 0.00 0.00 34.95 30.49 1ba9 s ARG 143 CO 0.58 -1.34 1.66 -0.07 0.00 0.00 0.00 175.30 176.13 1ba9 h LEU 144 N 8.80 -0.49 -8.66 2.53 3.38 -1.91 -3.45 115.31 115.50 1ba9 h LEU 144 Ca -0.23 0.12 -0.27 0.00 0.09 0.00 0.00 57.88 57.58 1ba9 h LEU 144 Cb 1.09 0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 1ba9 h LEU 144 CO 1.00 -0.18 -0.63 0.00 0.09 0.00 0.00 178.44 178.72 1ba9 s ALA 145 N -6.17 1.32 0.01 1.53 0.00 -1.26 -4.05 121.76 113.14 1ba9 s ALA 145 Ca -0.14 -1.69 -0.26 0.00 0.00 0.00 0.00 51.96 49.87 1ba9 s ALA 145 Cb 0.13 1.02 0.06 0.00 0.00 0.00 0.00 23.12 24.33 1ba9 s ALA 145 CO 0.69 -0.48 0.60 0.00 0.00 0.00 0.00 175.76 176.57 1ba9 s GLY 147 N -1.67 0.28 0.06 0.00 0.00 -0.15 -1.08 107.32 104.77 1ba9 s GLY 147 Ca -0.08 -0.63 0.07 0.00 0.00 0.00 0.00 44.72 44.09 1ba9 s GLY 147 CO 0.03 0.31 -0.20 -1.34 0.00 0.00 0.00 173.10 171.90 1ba9 s VAL 148 N -2.36 1.60 -0.24 1.40 -7.23 -1.26 -0.47 120.40 111.84 1ba9 s VAL 148 Ca 0.17 -1.29 -0.22 0.00 -1.81 0.00 0.00 61.98 58.83 1ba9 s VAL 148 Cb -0.05 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 1ba9 s VAL 148 CO 0.10 0.08 0.69 -0.63 -0.31 0.00 0.00 175.10 175.02 1ba9 s ILE 149 N -0.94 4.95 0.30 -0.62 1.01 -0.17 -4.03 121.20 121.71 1ba9 s ILE 149 Ca 0.06 1.27 0.04 0.00 0.00 0.00 0.00 60.65 62.02 1ba9 s ILE 149 Cb -0.09 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1ba9 s ILE 149 CO 0.03 0.02 0.16 0.61 0.00 0.00 0.00 174.94 175.75 1ba9 n GLY 150 N 3.97 3.30 3.76 6.18 0.00 0.16 -0.39 105.19 122.17 1ba9 n GLY 150 Ca 0.01 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.90 3.17 -0.83 -0.61 1.01 -1.26 -0.37 121.20 119.41 1ba9 s ILE 151 Ca 0.23 1.14 -0.25 0.00 0.00 0.00 0.00 60.65 61.77 1ba9 s ILE 151 Cb 0.01 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.80 1ba9 s ILE 151 CO 0.16 0.26 1.28 0.00 0.00 0.00 0.00 174.94 176.64 1ba9 s ALA 152 N -0.96 2.82 0.00 9.38 0.00 -0.14 -4.41 121.76 128.46 1ba9 s ALA 152 Ca 0.48 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1ba9 s ALA 152 Cb -0.35 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.49 1ba9 s ALA 152 CO 0.45 -3.31 0.00 0.94 0.00 0.00 0.00 175.76 173.85