#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 0.00 -3.85 0.00 5.66 -1.18 -4.93 114.28 109.99 1ba9 n THR 2 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1ba9 n THR 2 Cb 0.00 -1.55 -0.17 0.00 -1.55 0.00 0.00 70.33 67.06 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 -2.31 1.18 0.22 1.09 1.02 -1.26 -4.54 119.74 115.13 1ba9 s LYS 3 Ca 0.00 -0.41 0.09 0.00 0.02 0.00 0.00 55.97 55.67 1ba9 s LYS 3 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1ba9 s LYS 3 CO 0.00 -0.45 -0.02 0.00 -0.92 0.00 0.00 175.35 173.96 1ba9 s ALA 4 N 1.72 3.14 0.02 5.17 0.00 0.06 -0.70 121.76 131.17 1ba9 s ALA 4 Ca 0.01 -1.51 -0.00 0.00 0.00 0.00 0.00 51.96 50.46 1ba9 s ALA 4 Cb -0.15 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1ba9 s ALA 4 CO -0.07 0.38 -0.03 0.54 0.00 0.00 0.00 175.76 176.58 1ba9 s VAL 5 N -1.98 0.13 -0.15 0.00 0.11 0.53 -0.57 120.40 118.48 1ba9 s VAL 5 Ca 0.29 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1ba9 s VAL 5 Cb -0.08 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1ba9 s VAL 5 CO 0.18 -0.56 -0.00 0.00 -3.33 0.00 0.00 175.10 171.39 1ba9 s ALA 6 N -1.78 1.05 -0.68 1.54 0.00 0.46 -0.56 121.76 121.79 1ba9 s ALA 6 Ca -0.13 -0.55 -0.26 0.00 0.00 0.00 0.00 51.96 51.02 1ba9 s ALA 6 Cb -0.08 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.06 1ba9 s ALA 6 CO -0.02 -0.82 1.17 0.14 0.00 0.00 0.00 175.76 176.24 1ba9 s VAL 7 N 1.83 3.95 0.29 0.00 -7.23 -1.25 -0.66 120.40 117.32 1ba9 s VAL 7 Ca 0.02 0.35 -0.29 0.00 -1.81 0.00 0.00 61.98 60.24 1ba9 s VAL 7 Cb -0.15 -4.81 -0.10 0.00 0.56 0.00 0.00 36.38 31.88 1ba9 s VAL 7 CO -0.07 -1.62 1.39 -0.76 -0.31 0.00 0.00 175.10 173.73 1ba9 s LEU 8 N 5.12 4.40 -0.01 1.32 1.02 0.13 -4.08 118.68 126.58 1ba9 s LEU 8 Ca 0.34 2.69 -0.16 0.00 0.02 0.00 0.00 54.13 57.01 1ba9 s LEU 8 Cb -0.10 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.50 1ba9 s LEU 8 CO 0.16 -0.65 0.34 -0.75 0.02 0.00 0.00 176.35 175.48 1ba9 s LYS 9 N -1.00 0.72 0.00 1.70 2.36 -0.05 -0.69 119.74 122.78 1ba9 s LYS 9 Ca 0.55 -0.18 0.00 0.00 -2.55 0.00 0.00 55.97 53.79 1ba9 s LYS 9 Cb -0.41 0.32 0.00 0.00 -1.05 0.00 0.00 37.83 36.69 1ba9 s LYS 9 CO 0.48 -0.21 0.00 0.41 1.55 0.00 0.00 175.35 177.58 1ba9 n GLY 10 N 1.17 6.10 0.12 5.54 0.00 -0.19 -0.74 105.19 117.18 1ba9 n GLY 10 Ca -0.21 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 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 0.11 -1.04 1.61 3.58 -1.88 -3.45 116.42 115.35 1ba9 h ASP 11 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1ba9 h ASP 11 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ba9 h ASP 11 CO 0.00 0.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.07 1ba9 n GLY 12 N -1.17 0.62 0.06 -0.78 0.00 -1.26 -4.96 105.19 97.70 1ba9 n GLY 12 Ca -0.02 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.01 0.96 -1.50 1.61 -0.04 -1.26 -4.81 135.00 129.96 1ba9 n PRO 13 Ca 0.00 -0.11 -0.52 0.00 -0.04 0.00 0.00 63.50 62.83 1ba9 n PRO 13 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -0.92 0.24 -3.96 0.52 0.31 -1.25 -4.71 118.33 108.55 1ba9 n VAL 14 Ca 0.21 -0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.25 1ba9 n VAL 14 Cb 0.17 -1.58 -0.09 0.00 -0.91 0.00 0.00 33.84 31.43 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ba9 s GLN 15 N 5.63 0.63 -0.25 5.55 -2.07 -0.54 -1.03 119.66 127.59 1ba9 s GLN 15 Ca 1.07 -0.92 -0.21 0.00 -1.82 0.00 0.00 55.36 53.48 1ba9 s GLN 15 Cb -0.89 0.24 0.07 0.00 -1.09 0.00 0.00 33.01 31.34 1ba9 s GLN 15 CO 0.52 -0.16 0.65 0.20 -1.32 0.00 0.00 175.29 175.19 1ba9 s GLY 16 N -2.46 -0.51 -0.44 2.60 0.00 0.13 0.69 107.32 107.33 1ba9 s GLY 16 Ca -0.00 1.94 -0.20 0.00 0.00 0.00 0.00 44.72 46.46 1ba9 s GLY 16 CO -0.07 1.74 0.60 -0.42 0.00 0.00 0.00 173.10 174.94 1ba9 s ILE 17 N 0.61 4.89 0.18 0.90 1.09 -0.80 0.20 121.20 128.27 1ba9 s ILE 17 Ca -0.02 -0.01 -0.02 0.00 -1.10 0.00 0.00 60.65 59.50 1ba9 s ILE 17 Cb -0.05 -4.17 -0.05 0.00 -1.06 0.00 0.00 42.46 37.14 1ba9 s ILE 17 CO -0.03 -0.56 0.39 -0.63 -0.10 0.00 0.00 174.94 174.00 1ba9 s ILE 18 N 2.66 5.19 0.03 2.92 -1.09 0.17 -1.17 121.20 129.91 1ba9 s ILE 18 Ca 0.20 -0.23 0.05 0.00 -2.23 0.00 0.00 60.65 58.44 1ba9 s ILE 18 Cb -0.15 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1ba9 s ILE 18 CO 0.18 -0.11 -0.16 0.20 -1.23 0.00 0.00 174.94 173.82 1ba9 s ASN 19 N -2.93 1.89 -0.02 3.58 -0.87 0.12 -0.40 114.94 116.32 1ba9 s ASN 19 Ca 0.39 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 51.29 1ba9 s ASN 19 Cb -0.11 -0.16 -0.00 0.00 -0.02 0.00 0.00 41.25 40.96 1ba9 s ASN 19 CO 0.28 0.11 -0.10 -0.36 -2.57 0.00 0.00 177.10 174.46 1ba9 s PHE 20 N -0.69 0.93 -0.04 2.20 0.40 0.27 -1.35 117.98 119.69 1ba9 s PHE 20 Ca 0.04 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1ba9 s PHE 20 Cb -0.07 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.83 1ba9 s PHE 20 CO 0.01 -0.05 -0.13 -2.00 0.70 0.00 0.00 175.22 173.75 1ba9 s GLU 21 N -0.04 1.40 -0.04 0.44 -6.30 0.07 -0.76 118.70 113.46 1ba9 s GLU 21 Ca 0.01 -0.44 -0.04 0.00 -2.50 0.00 0.00 54.97 52.00 1ba9 s GLU 21 Cb -0.06 -1.23 0.01 0.00 0.00 0.00 0.00 34.13 32.85 1ba9 s GLU 21 CO -0.00 0.15 0.11 -1.14 0.02 0.00 0.00 175.26 174.40 1ba9 s GLN 22 N 0.21 0.12 -0.11 4.30 2.00 -1.26 -0.60 119.66 124.32 1ba9 s GLN 22 Ca -0.05 0.16 0.17 0.00 -2.00 0.00 0.00 55.36 53.65 1ba9 s GLN 22 Cb -0.11 0.04 0.40 0.00 0.80 0.00 0.00 33.01 34.14 1ba9 s GLN 22 CO 0.02 -0.03 1.19 0.36 -0.50 0.00 0.00 175.29 176.32 1ba9 n LYS 23 N 3.13 0.82 -3.82 1.67 2.85 -1.26 -3.12 118.16 118.43 1ba9 n LYS 23 Ca -0.14 -2.62 -0.05 0.00 -1.05 0.00 0.00 58.31 54.45 1ba9 n LYS 23 Cb 0.59 -0.86 -0.00 0.00 -0.65 0.00 0.00 35.03 34.10 1ba9 n LYS 23 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1ba9 s GLU 24 N -1.68 1.58 -0.01 -1.58 -6.30 -1.26 -4.95 118.70 104.50 1ba9 s GLU 24 Ca 0.35 -0.94 0.11 0.00 -2.50 0.00 0.00 54.97 51.99 1ba9 s GLU 24 Cb 0.36 0.50 -0.23 0.00 0.00 0.00 0.00 34.13 34.76 1ba9 s GLU 24 CO -0.11 -0.73 0.78 0.77 0.02 0.00 0.00 175.26 175.99 1ba9 h SER 25 N 2.00 0.01 -0.49 -1.70 0.02 -1.96 -3.41 113.55 108.01 1ba9 h SER 25 Ca -0.25 -0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.41 1ba9 h SER 25 Cb 1.24 -0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.43 1ba9 h SER 25 CO 0.30 1.02 -0.96 0.59 -1.14 0.00 0.00 176.83 176.64 1ba9 n ASN 26 N -3.12 0.82 -4.45 3.07 4.13 -1.26 -4.16 115.26 110.30 1ba9 n ASN 26 Ca -0.14 -2.27 -0.24 0.00 1.68 0.00 0.00 54.58 53.61 1ba9 n ASN 26 Cb 1.03 -0.21 -0.01 0.00 -1.54 0.00 0.00 39.78 39.05 1ba9 n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ba9 n GLY 27 N -0.59 3.00 3.60 7.41 0.00 -1.26 -5.00 105.19 112.34 1ba9 n GLY 27 Ca 0.03 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 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 -3.88 3.34 0.47 1.61 0.04 -1.26 -4.60 135.00 130.73 1ba9 s PRO 28 Ca 0.20 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 1ba9 s PRO 28 Cb -0.02 -4.19 -0.07 0.00 0.04 0.00 0.00 34.50 30.27 1ba9 s PRO 28 CO 0.13 -1.85 1.17 0.08 0.04 0.00 0.00 177.00 176.57 1ba9 s VAL 29 N 6.81 3.06 -0.20 -0.36 1.01 0.56 -4.68 120.40 126.60 1ba9 s VAL 29 Ca 0.78 0.78 -0.05 0.00 0.00 0.00 0.00 61.98 63.50 1ba9 s VAL 29 Cb -0.22 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1ba9 s VAL 29 CO 0.33 -0.03 -0.01 -0.54 0.00 0.00 0.00 175.10 174.86 1ba9 s LYS 30 N -2.77 3.58 -0.03 2.72 -0.14 0.23 -1.78 119.74 121.55 1ba9 s LYS 30 Ca 0.65 -0.54 0.07 0.00 -1.36 0.00 0.00 55.97 54.79 1ba9 s LYS 30 Cb -0.29 -3.05 -0.02 0.00 -1.68 0.00 0.00 37.83 32.79 1ba9 s LYS 30 CO 0.35 -0.00 -0.25 0.54 -0.76 0.00 0.00 175.35 175.22 1ba9 s VAL 31 N 1.02 2.02 0.16 3.17 0.11 0.11 -0.75 120.40 126.25 1ba9 s VAL 31 Ca 0.02 -1.08 -0.24 0.00 -2.93 0.00 0.00 61.98 57.75 1ba9 s VAL 31 Cb -0.14 -1.69 0.06 0.00 -1.53 0.00 0.00 36.38 33.08 1ba9 s VAL 31 CO 0.01 0.57 0.78 -1.66 -3.33 0.00 0.00 175.10 171.47 1ba9 s TRP 32 N -0.45 -0.29 -1.67 1.54 -2.14 -0.45 -0.48 118.94 114.99 1ba9 s TRP 32 Ca 0.05 -0.00 0.00 0.00 2.66 0.00 0.00 56.10 58.81 1ba9 s TRP 32 Cb -0.11 0.62 0.00 0.00 -3.10 0.00 0.00 33.47 30.88 1ba9 s TRP 32 CO 0.01 -0.91 0.00 0.41 -2.66 0.00 0.00 176.95 173.80 1ba9 n GLY 33 N -0.40 -1.31 3.24 3.67 0.00 0.05 0.15 105.19 110.59 1ba9 n GLY 33 Ca -0.09 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 1ba9 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ba9 s SER 34 N -3.79 -0.80 0.86 1.61 1.04 -0.32 -0.37 113.70 111.93 1ba9 s SER 34 Ca 0.00 0.94 -0.13 0.00 0.48 0.00 0.00 55.95 57.24 1ba9 s SER 34 Cb 0.00 1.85 0.11 0.00 0.10 0.00 0.00 66.02 68.08 1ba9 s SER 34 CO 0.00 -0.25 1.19 -0.51 0.98 0.00 0.00 173.24 174.65 1ba9 s ILE 35 N 2.76 1.99 -0.33 -1.02 2.07 -0.92 -1.91 121.20 123.85 1ba9 s ILE 35 Ca 0.09 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.37 1ba9 s ILE 35 Cb -0.14 -2.95 0.17 0.00 0.13 0.00 0.00 42.46 39.67 1ba9 s ILE 35 CO -0.18 0.00 0.47 -0.75 -1.91 0.00 0.00 174.94 172.57 1ba9 s LYS 36 N -5.57 0.57 0.00 3.50 2.20 0.22 -3.96 119.74 116.69 1ba9 s LYS 36 Ca 0.64 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 1ba9 s LYS 36 Cb -0.11 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 1ba9 s LYS 36 CO 0.50 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1ba9 n GLY 37 N 4.93 -0.58 0.00 5.54 0.00 -0.10 -1.47 105.19 113.51 1ba9 n GLY 37 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.17 0.99 4.32 0.02 -4.71 117.00 113.45 1ba9 n LEU 38 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 1ba9 n LEU 38 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1ba9 n LEU 38 CO 0.00 -0.77 -0.41 0.28 -1.22 0.00 0.00 177.39 175.26 1ba9 s THR 39 N -0.91 0.90 0.24 -5.08 -1.32 -1.26 -4.13 115.64 104.07 1ba9 s THR 39 Ca 0.00 -1.60 -0.30 0.00 -1.21 0.00 0.00 61.69 58.58 1ba9 s THR 39 Cb 0.00 -1.31 -0.15 0.00 -1.51 0.00 0.00 72.50 69.53 1ba9 s THR 39 CO 0.00 -0.56 1.06 -1.84 -2.21 0.00 0.00 174.62 171.08 1ba9 n GLU 40 N 0.61 1.26 0.00 7.08 0.00 -1.18 -4.50 120.64 123.91 1ba9 n GLU 40 Ca -0.16 0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.44 1ba9 n GLU 40 Cb 0.58 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 30.16 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 1.59 0.04 3.01 -1.84 0.00 -0.88 -4.92 105.19 102.18 1ba9 n GLY 41 Ca 0.12 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 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 2.24 -0.01 0.99 2.34 -1.26 -0.33 118.68 122.64 1ba9 s LEU 42 Ca 0.00 -0.51 0.01 0.00 0.06 0.00 0.00 54.13 53.69 1ba9 s LEU 42 Cb 0.00 -0.01 0.01 0.00 -0.56 0.00 0.00 46.19 45.63 1ba9 s LEU 42 CO 0.00 -0.25 -0.03 -1.00 -1.06 0.00 0.00 176.35 174.00 1ba9 s HIS 43 N -1.39 0.42 0.49 3.48 3.76 0.32 -3.34 115.29 119.03 1ba9 s HIS 43 Ca -0.13 -0.07 -0.22 0.00 -0.15 0.00 0.00 55.06 54.48 1ba9 s HIS 43 Cb -0.10 -0.34 -0.06 0.00 1.11 0.00 0.00 32.58 33.19 1ba9 s HIS 43 CO -0.00 -0.06 1.25 0.20 -0.85 0.00 0.00 174.74 175.28 1ba9 s GLY 44 N 0.26 2.83 -0.05 -2.22 0.00 -0.90 -0.49 107.32 106.75 1ba9 s GLY 44 Ca -0.03 1.10 -0.02 0.00 0.00 0.00 0.00 44.72 45.78 1ba9 s GLY 44 CO -0.00 1.59 0.04 -1.36 0.00 0.00 0.00 173.10 173.36 1ba9 s PHE 45 N -1.44 0.26 0.06 1.90 0.40 -0.04 -0.27 117.98 118.85 1ba9 s PHE 45 Ca 0.67 0.12 -0.08 0.00 -0.60 0.00 0.00 56.93 57.04 1ba9 s PHE 45 Cb -0.34 -0.58 -0.00 0.00 0.51 0.00 0.00 43.02 42.61 1ba9 s PHE 45 CO 0.40 -0.23 0.16 -1.01 0.70 0.00 0.00 175.22 175.24 1ba9 s HIS 46 N 2.07 0.16 -0.64 0.36 3.76 -0.70 -3.11 115.29 117.18 1ba9 s HIS 46 Ca 0.05 -0.51 -0.26 0.00 -0.15 0.00 0.00 55.06 54.19 1ba9 s HIS 46 Cb -0.12 -0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.52 1ba9 s HIS 46 CO -0.04 -0.46 1.12 0.08 -0.85 0.00 0.00 174.74 174.60 1ba9 s VAL 47 N -3.20 4.06 0.64 -0.90 1.01 -0.78 -0.99 120.40 120.23 1ba9 s VAL 47 Ca -0.00 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.18 1ba9 s VAL 47 Cb 0.02 -4.74 -0.01 0.00 0.00 0.00 0.00 36.38 31.64 1ba9 s VAL 47 CO -0.07 -1.49 1.08 -1.00 0.00 0.00 0.00 175.10 173.61 1ba9 s HIS 48 N 4.83 2.84 -0.42 5.22 3.76 0.65 -2.86 115.29 129.30 1ba9 s HIS 48 Ca 0.33 1.52 -0.25 0.00 -0.15 0.00 0.00 55.06 56.51 1ba9 s HIS 48 Cb -0.11 -3.06 0.02 0.00 1.11 0.00 0.00 32.58 30.54 1ba9 s HIS 48 CO 0.17 -1.38 0.89 -1.83 -0.85 0.00 0.00 174.74 171.75 1ba9 s GLU 49 N -4.20 3.63 0.00 1.40 4.04 -1.01 -3.74 118.70 118.82 1ba9 s GLU 49 Ca 0.64 0.26 0.00 0.00 0.04 0.00 0.00 54.97 55.91 1ba9 s GLU 49 Cb -0.18 -3.88 0.00 0.00 0.02 0.00 0.00 34.13 30.09 1ba9 s GLU 49 CO 0.41 -1.09 0.00 0.39 -1.84 0.00 0.00 175.26 173.13 1ba9 n GLU 50 N 6.92 -3.48 0.00 -4.83 -0.58 -1.26 -0.53 120.64 116.88 1ba9 n GLU 50 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1ba9 n GLU 50 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 1ba9 n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1ba9 n GLU 51 N -0.96 0.00 -4.10 3.49 0.28 -1.26 -2.38 120.64 115.71 1ba9 n GLU 51 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 1ba9 n GLU 51 Cb 0.00 -0.42 -0.05 0.00 1.43 0.00 0.00 31.44 32.40 1ba9 n GLU 51 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1ba9 s ASP 52 N -2.25 5.56 -0.37 -1.84 1.47 -1.26 -4.78 116.67 113.20 1ba9 s ASP 52 Ca 0.00 -0.19 0.12 0.00 1.18 0.00 0.00 52.55 53.66 1ba9 s ASP 52 Cb 0.00 -1.44 0.41 0.00 -0.34 0.00 0.00 42.92 41.55 1ba9 s ASP 52 CO 0.00 0.00 1.35 0.59 0.68 0.00 0.00 175.17 177.80 1ba9 n ASN 53 N -0.87 -1.27 -0.16 2.11 4.13 -1.26 -4.27 115.26 113.68 1ba9 n ASN 53 Ca -0.08 -2.40 -0.03 0.00 1.68 0.00 0.00 54.58 53.75 1ba9 n ASN 53 Cb 0.57 0.69 0.06 0.00 -1.54 0.00 0.00 39.78 39.57 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1ba9 h THR 54 N 2.81 0.81 0.00 3.41 1.35 -2.02 0.97 112.91 120.24 1ba9 h THR 54 Ca -0.30 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1ba9 h THR 54 Cb 1.29 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1ba9 h THR 54 CO -0.03 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1ba9 n ALA 55 N -2.44 1.05 0.00 6.62 0.00 -1.26 -4.93 120.51 119.55 1ba9 n ALA 55 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ba9 n ALA 55 Cb 0.21 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1ba9 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 56 N -1.36 1.81 1.02 0.00 0.00 0.33 -4.50 105.19 102.49 1ba9 n GLY 56 Ca -0.00 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.37 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 0.01 1.38 -0.04 0.00 -1.04 -1.26 -4.55 114.28 108.78 1ba9 n THR 58 Ca 0.07 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.05 61.64 1ba9 n THR 58 Cb 0.94 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.61 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 -0.86 -0.52 0.00 8.00 0.02 -1.89 -3.42 113.55 114.88 1ba9 h SER 59 Ca -0.64 0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.26 1ba9 h SER 59 Cb 1.57 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 64.36 1ba9 h SER 59 CO -0.37 -0.20 0.48 0.00 -1.14 0.00 0.00 176.83 175.60 1ba9 n ALA 60 N -2.66 0.08 -1.04 3.77 0.00 -1.26 -4.90 120.51 114.50 1ba9 n ALA 60 Ca -0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1ba9 n ALA 60 Cb 0.23 -0.64 0.24 0.00 0.00 0.00 0.00 19.45 19.28 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 1.92 -2.78 0.00 0.00 0.00 0.31 -4.94 105.19 99.69 1ba9 n GLY 61 Ca 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.68 -0.88 -1.66 1.61 -0.04 -1.26 -4.07 135.00 124.02 1ba9 n PRO 62 Ca 0.14 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.13 1ba9 n PRO 62 Cb 0.55 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.97 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 -2.36 2.16 -1.91 0.54 8.25 -1.26 -2.39 115.22 118.24 1ba9 n HIS 63 Ca 0.00 0.29 -0.43 0.00 -0.26 0.00 0.00 57.72 57.33 1ba9 n HIS 63 Cb 0.00 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 28.56 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N 1.40 1.73 -0.45 4.41 2.19 -1.14 -4.79 117.98 121.33 1ba9 s PHE 64 Ca 0.82 0.30 0.03 0.00 0.33 0.00 0.00 56.93 58.41 1ba9 s PHE 64 Cb -0.74 -4.02 0.13 0.00 -1.31 0.00 0.00 43.02 37.08 1ba9 s PHE 64 CO 0.42 -3.81 0.22 -0.80 1.83 0.00 0.00 175.22 173.08 1ba9 s ASN 65 N 4.98 4.08 -0.03 6.13 0.02 -1.26 -2.84 114.94 126.02 1ba9 s ASN 65 Ca 0.81 -2.67 -0.20 0.00 -1.02 0.00 0.00 52.86 49.78 1ba9 s ASN 65 Cb -0.31 -1.34 -0.32 0.00 0.02 0.00 0.00 41.25 39.30 1ba9 s ASN 65 CO 0.33 -0.27 0.89 1.55 0.02 0.00 0.00 177.10 179.62 1ba9 h PRO 66 N 6.82 0.35 -0.00 -0.60 0.13 -1.98 -3.34 132.00 133.38 1ba9 h PRO 66 Ca -0.05 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1ba9 h PRO 66 Cb 0.93 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ba9 h PRO 66 CO 0.57 1.29 -0.07 1.28 -0.23 0.00 0.00 178.00 180.84 1ba9 n LEU 67 N -4.02 0.18 -3.45 1.56 4.77 -1.26 -4.96 117.00 109.81 1ba9 n LEU 67 Ca -0.15 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 55.86 1ba9 n LEU 67 Cb 0.89 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1ba9 n LEU 67 CO 0.51 0.04 0.04 -1.20 -1.33 0.00 0.00 177.39 175.44 1ba9 n SER 68 N -1.24 -6.19 -4.63 -1.43 7.64 -1.26 -5.04 113.62 101.48 1ba9 n SER 68 Ca 0.12 -0.70 -0.27 0.00 1.01 0.00 0.00 58.87 59.04 1ba9 n SER 68 Cb 0.28 -4.00 -0.10 0.00 -1.01 0.00 0.00 64.21 59.38 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 -4.73 2.00 0.60 1.43 0.52 -1.26 -5.15 118.95 112.36 1ba9 s ARG 69 Ca 0.28 -2.00 -0.09 0.00 -0.52 0.00 0.00 55.73 53.39 1ba9 s ARG 69 Cb -0.08 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 1ba9 s ARG 69 CO 0.81 -0.02 0.97 0.15 0.02 0.00 0.00 175.30 177.24 1ba9 s LYS 70 N -3.73 3.42 0.39 3.54 1.02 -1.26 -4.78 119.74 118.34 1ba9 s LYS 70 Ca 0.36 0.52 -0.25 0.00 0.02 0.00 0.00 55.97 56.61 1ba9 s LYS 70 Cb 0.07 -2.16 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 1ba9 s LYS 70 CO 0.19 -0.56 1.12 -1.58 -0.92 0.00 0.00 175.35 173.59 1ba9 s HIS 71 N -3.09 3.18 -1.20 3.18 5.65 0.72 -2.34 115.29 121.38 1ba9 s HIS 71 Ca 0.54 1.60 0.00 0.00 0.25 0.00 0.00 55.06 57.45 1ba9 s HIS 71 Cb -0.11 -3.28 0.00 0.00 -1.18 0.00 0.00 32.58 28.01 1ba9 s HIS 71 CO 0.51 -1.00 0.00 0.41 -0.65 0.00 0.00 174.74 174.01 1ba9 n GLY 72 N 0.57 -1.31 4.00 1.59 0.00 -1.18 -4.00 105.19 104.87 1ba9 n GLY 72 Ca 0.04 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 1.92 0.63 -0.02 0.00 -1.01 -4.14 107.32 104.70 1ba9 s GLY 73 Ca 0.00 -1.63 0.37 0.00 0.00 0.00 0.00 44.72 43.46 1ba9 s GLY 73 CO 0.00 -1.42 2.30 -0.56 0.00 0.00 0.00 173.10 173.42 1ba9 h PRO 74 N 0.50 0.00 0.00 2.90 0.13 -1.86 -0.16 132.00 133.52 1ba9 h PRO 74 Ca -0.40 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 1ba9 h PRO 74 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1ba9 h PRO 74 CO 0.46 0.00 -0.88 -0.22 -0.23 0.00 0.00 178.00 177.13 1ba9 h LYS 75 N 0.00 0.00 -6.97 0.86 3.64 -1.94 -3.47 116.57 108.69 1ba9 h LYS 75 Ca 0.00 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 1ba9 h LYS 75 Cb 0.04 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1ba9 h LYS 75 CO -0.00 0.66 0.11 -0.51 -2.27 0.00 0.00 179.45 177.44 1ba9 s ASP 76 N -6.45 5.99 0.18 4.20 1.01 -0.07 -4.98 116.67 116.55 1ba9 s ASP 76 Ca 0.01 0.79 -0.11 0.00 0.71 0.00 0.00 52.55 53.95 1ba9 s ASP 76 Cb 0.09 -1.99 0.10 0.00 1.01 0.00 0.00 42.92 42.13 1ba9 s ASP 76 CO 0.79 -0.76 1.78 -0.33 0.21 0.00 0.00 175.17 176.86 1ba9 h GLU 77 N 0.10 0.92 -6.35 8.23 5.08 -1.92 -3.43 114.58 117.22 1ba9 h GLU 77 Ca -0.46 -0.13 -0.55 0.00 -1.00 0.00 0.00 59.36 57.21 1ba9 h GLU 77 Cb 1.23 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1ba9 h GLU 77 CO 0.61 0.73 0.05 -1.21 -1.00 0.00 0.00 179.01 178.19 1ba9 s GLU 78 N -5.75 4.35 -0.30 2.33 8.01 -1.26 -5.04 118.70 121.05 1ba9 s GLU 78 Ca -0.13 0.91 -0.21 0.00 0.01 0.00 0.00 54.97 55.55 1ba9 s GLU 78 Cb 0.14 -3.25 0.19 0.00 -4.31 0.00 0.00 34.13 26.90 1ba9 s GLU 78 CO 0.79 0.61 1.34 -0.98 0.01 0.00 0.00 175.26 177.03 1ba9 s ARG 79 N -1.12 0.09 0.69 1.61 1.70 -0.99 -2.39 118.95 118.54 1ba9 s ARG 79 Ca 0.32 0.12 -0.09 0.00 -0.47 0.00 0.00 55.73 55.61 1ba9 s ARG 79 Cb -0.21 0.03 0.15 0.00 -0.57 0.00 0.00 34.95 34.36 1ba9 s ARG 79 CO 0.22 -0.01 0.94 0.72 -1.08 0.00 0.00 175.30 176.09 1ba9 n HIS 80 N 2.24 -3.74 -0.17 5.89 8.25 -1.26 -4.78 115.22 121.66 1ba9 n HIS 80 Ca -0.13 -1.02 -0.08 0.00 -0.26 0.00 0.00 57.72 56.23 1ba9 n HIS 80 Cb 0.57 -0.72 0.01 0.00 1.12 0.00 0.00 29.99 30.97 1ba9 n HIS 80 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ba9 h VAL 81 N -1.31 1.19 -0.69 1.59 3.04 -1.92 -3.20 116.25 114.95 1ba9 h VAL 81 Ca -0.31 -0.54 -0.35 0.00 -1.01 0.00 0.00 66.70 64.50 1ba9 h VAL 81 Cb 0.91 0.64 -0.21 0.00 -2.01 0.00 0.00 31.29 30.63 1ba9 h VAL 81 CO 0.24 0.21 0.30 0.61 -1.01 0.00 0.00 177.57 177.93 1ba9 n GLY 82 N -0.91 4.62 3.14 3.17 0.00 -1.26 -4.49 105.19 109.47 1ba9 n GLY 82 Ca 0.02 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 83 N -1.07 5.21 -2.47 1.61 8.00 -1.21 -1.87 116.55 124.75 1ba9 n ASP 83 Ca 0.47 -3.07 -0.22 0.00 0.71 0.00 0.00 54.79 52.68 1ba9 n ASP 83 Cb 1.37 -1.51 -0.11 0.00 -0.02 0.00 0.00 41.12 40.85 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ba9 n LEU 84 N 4.49 6.42 0.00 0.64 4.77 -1.18 -4.10 117.00 128.04 1ba9 n LEU 84 Ca 0.38 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 1ba9 n LEU 84 Cb 0.39 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1ba9 n LEU 84 CO 0.72 1.82 0.00 0.61 -1.33 0.00 0.00 177.39 179.21 1ba9 n GLY 85 N 2.47 0.00 3.23 -0.72 0.00 -1.26 -4.42 105.19 104.50 1ba9 n GLY 85 Ca 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 1ba9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 86 N 0.00 0.19 0.27 1.61 2.20 -1.26 -0.86 114.94 117.08 1ba9 s ASN 86 Ca 0.00 -1.12 0.08 0.00 -0.94 0.00 0.00 52.86 50.88 1ba9 s ASN 86 Cb 0.00 0.36 -0.05 0.00 -2.00 0.00 0.00 41.25 39.56 1ba9 s ASN 86 CO 0.00 -0.81 -0.10 0.68 -2.94 0.00 0.00 177.10 173.93 1ba9 s VAL 87 N -4.04 1.83 -0.32 3.54 -7.23 0.36 -4.86 120.40 109.69 1ba9 s VAL 87 Ca 0.24 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1ba9 s VAL 87 Cb 0.06 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.69 1ba9 s VAL 87 CO 0.03 -0.38 0.06 -0.89 -0.31 0.00 0.00 175.10 173.61 1ba9 s THR 88 N -2.90 3.42 0.31 5.32 2.01 -1.26 -0.52 115.64 122.02 1ba9 s THR 88 Ca 0.28 -1.24 -0.23 0.00 0.31 0.00 0.00 61.69 60.82 1ba9 s THR 88 Cb 0.01 -2.95 -0.10 0.00 0.01 0.00 0.00 72.50 69.48 1ba9 s THR 88 CO 0.11 -0.14 0.87 0.00 -0.69 0.00 0.00 174.62 174.77 1ba9 s ALA 89 N 1.34 3.25 0.92 7.40 0.00 0.55 -4.19 121.76 131.02 1ba9 s ALA 89 Ca -0.03 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.16 1ba9 s ALA 89 Cb -0.20 -3.05 0.18 0.00 0.00 0.00 0.00 23.12 20.06 1ba9 s ALA 89 CO 0.01 0.22 1.27 0.34 0.00 0.00 0.00 175.76 177.60 1ba9 s ASP 90 N -1.77 3.41 0.00 0.00 -1.08 0.60 -2.08 116.67 115.77 1ba9 s ASP 90 Ca 0.50 0.25 0.15 0.00 -0.52 0.00 0.00 52.55 52.93 1ba9 s ASP 90 Cb -0.16 -0.38 0.91 0.00 -1.46 0.00 0.00 42.92 41.83 1ba9 s ASP 90 CO 0.21 -2.54 1.32 2.29 0.52 0.00 0.00 175.17 176.97 1ba9 n LYS 91 N -3.61 0.50 -0.09 4.34 -0.00 -1.26 -0.53 118.16 117.51 1ba9 n LYS 91 Ca 0.14 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.53 1ba9 n LYS 91 Cb 0.60 -1.47 0.12 0.00 -0.00 0.00 0.00 35.03 34.28 1ba9 n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ba9 n ASP 92 N -0.97 2.67 -1.23 -5.58 2.03 -1.26 -4.93 116.55 107.28 1ba9 n ASP 92 Ca 0.11 -1.78 -0.11 0.00 0.52 0.00 0.00 54.79 53.53 1ba9 n ASP 92 Cb 0.05 -0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.88 0.07 3.40 0.27 0.00 0.31 -4.64 105.19 105.47 1ba9 n GLY 93 Ca 0.12 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.54 3.87 -0.39 1.61 1.01 -1.26 -0.80 120.40 121.89 1ba9 s VAL 94 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1ba9 s VAL 94 Cb 0.00 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.68 1ba9 s VAL 94 CO 0.00 0.40 0.20 0.00 0.00 0.00 0.00 175.10 175.69 1ba9 s ALA 95 N 1.38 3.18 -0.62 5.51 0.00 -1.25 -0.29 121.76 129.67 1ba9 s ALA 95 Ca 0.05 -2.15 -0.28 0.00 0.00 0.00 0.00 51.96 49.58 1ba9 s ALA 95 Cb -0.15 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1ba9 s ALA 95 CO 0.01 -1.61 1.27 -0.51 0.00 0.00 0.00 175.76 174.92 1ba9 s ASP 96 N 1.88 6.29 0.31 0.00 1.01 -1.26 -2.16 116.67 122.74 1ba9 s ASP 96 Ca 0.03 0.00 -0.26 0.00 0.71 0.00 0.00 52.55 53.03 1ba9 s ASP 96 Cb -0.22 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.06 1ba9 s ASP 96 CO 0.00 -1.64 0.92 -0.69 0.21 0.00 0.00 175.17 173.98 1ba9 s VAL 97 N 5.45 4.23 -0.29 -1.27 1.01 0.50 -4.85 120.40 125.18 1ba9 s VAL 97 Ca 0.43 1.80 -0.01 0.00 0.00 0.00 0.00 61.98 64.20 1ba9 s VAL 97 Cb -0.08 -4.02 0.19 0.00 0.00 0.00 0.00 36.38 32.47 1ba9 s VAL 97 CO 0.23 0.17 0.74 -0.55 0.00 0.00 0.00 175.10 175.68 1ba9 s SER 98 N -1.59 -1.21 0.33 3.32 0.15 -1.26 -0.77 113.70 112.67 1ba9 s SER 98 Ca 0.49 0.28 -0.04 0.00 0.70 0.00 0.00 55.95 57.38 1ba9 s SER 98 Cb -0.19 1.82 0.02 0.00 -1.71 0.00 0.00 66.02 65.96 1ba9 s SER 98 CO 0.24 -0.22 0.50 0.00 1.20 0.00 0.00 173.24 174.95 1ba9 n ILE 99 N 5.35 0.00 -3.87 6.45 3.06 0.37 -4.99 119.36 125.73 1ba9 n ILE 99 Ca 0.04 -1.50 -0.11 0.00 -2.50 0.00 0.00 62.75 58.67 1ba9 n ILE 99 Cb 0.54 0.99 -0.11 0.00 0.54 0.00 0.00 39.64 41.60 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 -2.62 0.30 0.31 9.51 1.03 -1.26 -0.71 118.70 125.27 1ba9 s GLU 100 Ca 0.24 -0.18 0.04 0.00 0.03 0.00 0.00 54.97 55.10 1ba9 s GLU 100 Cb -0.02 0.13 -0.06 0.00 -0.80 0.00 0.00 34.13 33.38 1ba9 s GLU 100 CO 0.18 -0.06 0.05 0.34 -1.33 0.00 0.00 175.26 174.43 1ba9 s ASP 101 N -0.75 2.32 -0.03 0.83 -1.08 -0.74 -4.96 116.67 112.27 1ba9 s ASP 101 Ca -0.08 -1.35 0.09 0.00 -0.52 0.00 0.00 52.55 50.68 1ba9 s ASP 101 Cb -0.05 -0.08 0.15 0.00 -1.46 0.00 0.00 42.92 41.49 1ba9 s ASP 101 CO 0.01 -0.58 1.07 -1.20 0.52 0.00 0.00 175.17 174.98 1ba9 n SER 102 N -0.65 0.60 -0.00 -0.34 7.64 -1.26 -0.32 113.62 119.28 1ba9 n SER 102 Ca -0.03 -2.23 -0.01 0.00 1.01 0.00 0.00 58.87 57.62 1ba9 n SER 102 Cb 0.66 -0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1ba9 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ba9 n VAL 103 N -0.13 0.27 -0.84 0.44 0.31 -1.26 -4.85 118.33 112.27 1ba9 n VAL 103 Ca 0.04 0.26 -0.31 0.00 -0.01 0.00 0.00 64.34 64.33 1ba9 n VAL 103 Cb 0.79 -1.40 0.15 0.00 -0.91 0.00 0.00 33.84 32.47 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 -1.29 2.38 0.06 2.52 -5.25 -1.26 -4.98 121.20 113.38 1ba9 s ILE 104 Ca -0.03 0.12 -0.27 0.00 -0.99 0.00 0.00 60.65 59.48 1ba9 s ILE 104 Cb 0.00 -2.27 0.09 0.00 2.95 0.00 0.00 42.46 43.24 1ba9 s ILE 104 CO 0.04 -0.16 1.17 -0.44 -1.79 0.00 0.00 174.94 173.77 1ba9 s SER 105 N -2.86 -0.04 0.00 4.36 0.01 -1.26 -4.71 113.70 109.20 1ba9 s SER 105 Ca 0.65 -0.33 0.16 0.00 1.31 0.00 0.00 55.95 57.74 1ba9 s SER 105 Cb -0.21 0.29 0.52 0.00 0.21 0.00 0.00 66.02 66.83 1ba9 s SER 105 CO 0.58 -0.57 1.40 0.18 0.41 0.00 0.00 173.24 175.24 1ba9 n LEU 106 N -0.65 1.89 -4.73 2.44 4.32 -1.26 -0.11 117.00 118.90 1ba9 n LEU 106 Ca -0.04 -0.88 -0.36 0.00 -0.02 0.00 0.00 56.01 54.72 1ba9 n LEU 106 Cb 0.61 -0.19 0.07 0.00 -1.62 0.00 0.00 43.42 42.29 1ba9 n LEU 106 CO 0.15 0.44 0.85 -0.94 -1.22 0.00 0.00 177.39 176.68 1ba9 s SER 107 N -1.26 4.53 0.49 -1.43 1.04 -1.26 -4.58 113.70 111.23 1ba9 s SER 107 Ca 0.29 2.48 0.30 0.00 0.48 0.00 0.00 55.95 59.50 1ba9 s SER 107 Cb 0.15 -2.60 1.39 0.00 0.10 0.00 0.00 66.02 65.06 1ba9 s SER 107 CO 0.21 -2.04 1.79 1.23 0.98 0.00 0.00 173.24 175.41 1ba9 h GLY 108 N 0.27 0.46 0.00 7.32 0.00 -1.93 0.38 103.07 109.58 1ba9 h GLY 108 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1ba9 h GLY 108 CO 0.52 -0.06 0.00 1.34 0.00 0.00 0.00 176.54 178.34 1ba9 n ASP 109 N -4.36 0.00 0.22 0.19 -0.08 -1.26 -4.38 116.55 106.88 1ba9 n ASP 109 Ca 0.25 0.35 0.09 0.00 -1.51 0.00 0.00 54.79 53.97 1ba9 n ASP 109 Cb 1.11 -0.29 0.50 0.00 2.34 0.00 0.00 41.12 44.78 1ba9 n ASP 109 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1ba9 h HIS 110 N 0.00 0.00 0.00 -0.67 3.86 -1.80 -3.48 115.15 113.07 1ba9 h HIS 110 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ba9 h HIS 110 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ba9 h HIS 110 CO 0.02 0.25 0.00 0.45 0.86 0.00 0.00 177.93 179.51 1ba9 n SER 111 N -3.62 0.00 0.29 2.45 2.88 0.13 -4.64 113.62 111.11 1ba9 n SER 111 Ca -0.01 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.70 1ba9 n SER 111 Cb 0.38 0.00 0.86 0.00 -0.75 0.00 0.00 64.21 64.70 1ba9 n SER 111 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1ba9 h ILE 112 N 0.00 0.28 -2.33 2.46 3.07 -0.81 -3.40 117.51 116.79 1ba9 h ILE 112 Ca 0.00 -0.37 -0.55 0.00 1.55 0.00 0.00 64.86 65.49 1ba9 h ILE 112 Cb 0.00 1.28 0.01 0.00 -0.27 0.00 0.00 36.82 37.84 1ba9 h ILE 112 CO 0.00 0.06 1.28 -0.63 -1.05 0.00 0.00 178.15 177.80 1ba9 s ILE 113 N -4.07 3.11 0.00 0.16 -1.09 -1.26 -0.47 121.20 117.58 1ba9 s ILE 113 Ca -0.03 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1ba9 s ILE 113 Cb 0.12 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1ba9 s ILE 113 CO 0.53 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1ba9 n GLY 114 N 4.81 0.66 3.73 6.18 0.00 0.00 -5.02 105.19 115.56 1ba9 n GLY 114 Ca 0.22 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.35 2.67 -0.57 1.61 1.81 0.38 -4.35 118.95 116.15 1ba9 s ARG 115 Ca 0.00 -0.96 -0.18 0.00 -1.72 0.00 0.00 55.73 52.87 1ba9 s ARG 115 Cb 0.00 -2.52 0.10 0.00 -0.45 0.00 0.00 34.95 32.07 1ba9 s ARG 115 CO 0.00 0.48 0.65 0.99 -0.68 0.00 0.00 175.30 176.74 1ba9 s THR 116 N -1.69 4.89 -0.19 0.02 2.01 -1.00 -0.74 115.64 118.94 1ba9 s THR 116 Ca 0.29 -0.97 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 1ba9 s THR 116 Cb -0.10 -4.42 -0.02 0.00 0.01 0.00 0.00 72.50 67.97 1ba9 s THR 116 CO 0.21 -1.01 0.67 -0.22 -0.69 0.00 0.00 174.62 173.57 1ba9 s LEU 117 N 2.50 4.15 -0.02 4.42 2.96 0.81 -0.25 118.68 133.25 1ba9 s LEU 117 Ca 0.11 0.89 0.04 0.00 -0.22 0.00 0.00 54.13 54.95 1ba9 s LEU 117 Cb -0.24 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 1ba9 s LEU 117 CO 0.07 -0.30 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.97 1ba9 s VAL 118 N 1.98 1.12 0.15 1.68 1.01 -0.16 -0.46 120.40 125.73 1ba9 s VAL 118 Ca 0.30 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1ba9 s VAL 118 Cb -0.16 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1ba9 s VAL 118 CO 0.11 0.32 0.33 0.54 0.00 0.00 0.00 175.10 176.40 1ba9 s VAL 119 N -0.20 5.26 0.15 2.92 0.11 -0.60 -1.73 120.40 126.30 1ba9 s VAL 119 Ca 0.03 -0.37 0.08 0.00 -2.93 0.00 0.00 61.98 58.79 1ba9 s VAL 119 Cb -0.07 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 1ba9 s VAL 119 CO -0.00 -0.06 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.63 1ba9 s HIS 120 N -1.74 2.73 -0.01 1.54 3.76 0.63 -3.03 115.29 119.17 1ba9 s HIS 120 Ca 0.37 -0.17 -0.25 0.00 -0.15 0.00 0.00 55.06 54.87 1ba9 s HIS 120 Cb -0.12 -1.37 -0.18 0.00 1.11 0.00 0.00 32.58 32.03 1ba9 s HIS 120 CO 0.28 0.48 1.22 1.49 -0.85 0.00 0.00 174.74 177.36 1ba9 h GLU 121 N 3.14 -0.20 -7.23 1.40 4.22 -0.82 -3.29 114.58 111.80 1ba9 h GLU 121 Ca -0.48 0.01 -0.47 0.00 0.08 0.00 0.00 59.36 58.51 1ba9 h GLU 121 Cb 1.19 0.05 0.07 0.00 0.50 0.00 0.00 28.75 30.55 1ba9 h GLU 121 CO 0.54 0.18 0.21 0.15 -2.18 0.00 0.00 179.01 177.91 1ba9 s LYS 122 N -4.42 2.53 0.32 1.92 1.02 0.71 -4.71 119.74 117.10 1ba9 s LYS 122 Ca -0.14 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.43 1ba9 s LYS 122 Cb 0.02 -2.21 -0.11 0.00 -0.52 0.00 0.00 37.83 35.02 1ba9 s LYS 122 CO 0.59 -1.00 1.42 0.00 -0.92 0.00 0.00 175.35 175.44 1ba9 s ALA 123 N -3.14 3.58 -0.20 5.17 0.00 -1.21 -2.12 121.76 123.84 1ba9 s ALA 123 Ca 0.57 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.64 1ba9 s ALA 123 Cb -0.11 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1ba9 s ALA 123 CO 0.45 -0.82 1.47 0.34 0.00 0.00 0.00 175.76 177.20 1ba9 s ASP 124 N -0.07 6.63 0.00 0.00 -1.08 -1.26 -3.78 116.67 117.11 1ba9 s ASP 124 Ca 0.54 1.65 0.23 0.00 -0.52 0.00 0.00 52.55 54.45 1ba9 s ASP 124 Cb -0.43 -2.54 1.34 0.00 -1.46 0.00 0.00 42.92 39.83 1ba9 s ASP 124 CO 0.53 -1.04 1.73 -0.90 0.52 0.00 0.00 175.17 176.01 1ba9 n ASP 125 N 7.61 0.00 -4.09 -0.34 5.68 0.42 -4.83 116.55 120.99 1ba9 n ASP 125 Ca 0.16 -0.64 -0.29 0.00 -0.50 0.00 0.00 54.79 53.53 1ba9 n ASP 125 Cb 0.45 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.36 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ba9 n LEU 126 N -1.03 -1.86 0.00 -2.12 7.99 -1.26 -0.94 117.00 117.78 1ba9 n LEU 126 Ca 0.16 -1.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.10 1ba9 n LEU 126 Cb 0.09 -2.07 0.00 0.00 -0.11 0.00 0.00 43.42 41.33 1ba9 n LEU 126 CO 0.13 0.40 0.00 0.61 -1.51 0.00 0.00 177.39 177.02 1ba9 n GLY 127 N -1.93 0.42 0.07 -0.72 0.00 -1.26 -4.29 105.19 97.49 1ba9 n GLY 127 Ca -0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.63 0.11 0.09 1.61 5.02 -0.11 -1.66 118.16 121.58 1ba9 n LYS 128 Ca 0.00 0.30 -0.13 0.00 -2.02 0.00 0.00 58.31 56.46 1ba9 n LYS 128 Cb 0.11 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 1ba9 n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ba9 h GLY 129 N 2.78 -0.21 -3.66 0.72 0.00 -1.89 -3.49 103.07 97.31 1ba9 h GLY 129 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1ba9 h GLY 129 CO 0.00 -0.08 -0.21 0.61 0.00 0.00 0.00 176.54 176.86 1ba9 n GLY 130 N -0.52 0.27 2.69 4.60 0.00 -0.67 -5.04 105.19 106.53 1ba9 n GLY 130 Ca -0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1ba9 n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ba9 n ASN 131 N -1.90 -1.81 0.00 1.61 2.04 -1.26 -4.97 115.26 108.97 1ba9 n ASN 131 Ca -0.02 -2.40 0.00 0.00 -0.44 0.00 0.00 54.58 51.72 1ba9 n ASN 131 Cb 0.53 0.95 0.00 0.00 -2.53 0.00 0.00 39.78 38.73 1ba9 n ASN 131 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1ba9 n GLU 132 N -0.81 0.00 -0.05 -3.83 1.02 -1.26 -4.08 120.64 111.63 1ba9 n GLU 132 Ca -0.06 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.96 1ba9 n GLU 132 Cb 0.86 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.21 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 -0.43 0.07 3.49 -0.00 -1.97 0.87 115.11 117.14 1ba9 h GLN 133 Ca 0.00 0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.70 1ba9 h GLN 133 Cb 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 27.48 27.53 1ba9 h GLN 133 CO 0.00 -0.28 -0.41 0.66 0.00 0.00 0.00 178.83 178.80 1ba9 h SER 134 N -0.44 -1.21 0.11 -0.69 4.64 -1.89 0.78 113.55 114.85 1ba9 h SER 134 Ca 0.09 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1ba9 h SER 134 Cb 0.62 0.46 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1ba9 h SER 134 CO -0.47 -0.47 0.00 0.41 -0.87 0.00 0.00 176.83 175.44 1ba9 n THR 135 N -5.45 0.61 -0.00 2.95 -1.04 -0.03 -0.50 114.28 110.81 1ba9 n THR 135 Ca -0.06 0.15 -0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1ba9 n THR 135 Cb 0.37 -1.02 -0.00 0.00 -1.82 0.00 0.00 70.33 67.86 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 -1.21 3.70 0.00 -2.82 4.81 0.28 -0.20 118.16 122.71 1ba9 n LYS 136 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1ba9 n LYS 136 Cb 0.06 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.10 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 -2.04 0.00 0.00 3.15 -2.24 0.27 -4.49 114.28 108.93 1ba9 n THR 137 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ba9 n THR 137 Cb 0.51 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 2.07 1.89 2.34 3.38 0.00 0.34 -4.49 105.19 110.71 1ba9 n GLY 138 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ba9 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ba9 n ASN 139 N 0.00 -4.64 0.21 1.61 2.85 -1.26 -0.44 115.26 113.59 1ba9 n ASN 139 Ca 0.00 0.38 0.15 0.00 -0.11 0.00 0.00 54.58 54.99 1ba9 n ASN 139 Cb 0.00 -4.14 0.53 0.00 1.24 0.00 0.00 39.78 37.41 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 0.44 1.00 -0.31 5.20 0.00 -1.79 -3.44 119.26 120.37 1ba9 h ALA 140 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ba9 h ALA 140 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ba9 h ALA 140 CO 0.52 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1ba9 n GLY 141 N 0.29 -0.57 3.70 0.00 0.00 -1.26 -0.21 105.19 107.15 1ba9 n GLY 141 Ca 0.02 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 3.36 -0.44 1.61 0.01 -1.26 -4.64 113.70 108.34 1ba9 s SER 142 Ca 0.00 2.11 -0.19 0.00 1.31 0.00 0.00 55.95 59.17 1ba9 s SER 142 Cb 0.00 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.70 1ba9 s SER 142 CO 0.00 -2.81 0.57 -0.13 0.41 0.00 0.00 173.24 171.28 1ba9 s ARG 143 N -4.69 3.20 0.26 12.44 3.00 -1.26 -0.56 118.95 131.34 1ba9 s ARG 143 Ca 0.66 -0.56 -0.02 0.00 0.00 0.00 0.00 55.73 55.80 1ba9 s ARG 143 Cb -0.22 -3.97 0.41 0.00 0.00 0.00 0.00 34.95 31.17 1ba9 s ARG 143 CO 0.57 -0.98 1.87 -0.07 0.00 0.00 0.00 175.30 176.69 1ba9 h LEU 144 N 9.48 1.01 -7.29 2.53 3.38 -1.79 -3.46 115.31 119.17 1ba9 h LEU 144 Ca -0.26 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1ba9 h LEU 144 Cb 1.10 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 1ba9 h LEU 144 CO 0.87 0.63 0.04 0.00 0.09 0.00 0.00 178.44 180.07 1ba9 s ALA 145 N -6.03 -1.17 -0.04 1.53 0.00 -1.25 -4.19 121.76 110.61 1ba9 s ALA 145 Ca -0.12 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 1ba9 s ALA 145 Cb 0.20 0.78 0.02 0.00 0.00 0.00 0.00 23.12 24.12 1ba9 s ALA 145 CO 0.81 -0.71 0.11 0.00 0.00 0.00 0.00 175.76 175.97 1ba9 s GLY 147 N 0.26 -0.04 -0.10 0.00 0.00 0.39 -0.87 107.32 106.97 1ba9 s GLY 147 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 1ba9 s GLY 147 CO -0.01 -0.29 -0.06 0.54 0.00 0.00 0.00 173.10 173.28 1ba9 s VAL 148 N -2.30 3.75 -0.08 1.40 0.11 -1.26 -0.13 120.40 121.90 1ba9 s VAL 148 Ca -0.07 -0.44 -0.25 0.00 -2.93 0.00 0.00 61.98 58.29 1ba9 s VAL 148 Cb -0.02 -2.57 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 1ba9 s VAL 148 CO -0.02 0.56 0.79 -0.63 -3.33 0.00 0.00 175.10 172.47 1ba9 s ILE 149 N -0.39 4.97 0.23 7.04 1.01 0.08 -3.91 121.20 130.23 1ba9 s ILE 149 Ca 0.06 1.61 0.05 0.00 0.00 0.00 0.00 60.65 62.36 1ba9 s ILE 149 Cb -0.12 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 1ba9 s ILE 149 CO 0.02 0.18 0.21 0.61 0.00 0.00 0.00 174.94 175.96 1ba9 n GLY 150 N 3.17 3.17 3.76 6.18 0.00 0.27 -0.82 105.19 120.93 1ba9 n GLY 150 Ca 0.02 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 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 3.15 -1.13 -0.61 1.09 -1.26 -0.35 121.20 119.19 1ba9 s ILE 151 Ca 0.26 1.15 -0.06 0.00 -1.10 0.00 0.00 60.65 60.90 1ba9 s ILE 151 Cb 0.01 -3.72 0.04 0.00 -1.06 0.00 0.00 42.46 37.73 1ba9 s ILE 151 CO 0.19 0.26 2.67 0.00 -0.10 0.00 0.00 174.94 177.96 1ba9 n ALA 152 N 0.96 6.87 -1.85 9.38 0.00 0.12 -4.58 120.51 131.41 1ba9 n ALA 152 Ca -0.00 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1ba9 n ALA 152 Cb 0.44 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44