#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 -4.28 0.00 -2.24 -1.26 -4.70 114.28 101.79 1ba9 n THR 2 Ca 0.00 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.36 1ba9 n THR 2 Cb 0.00 0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 1ba9 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ba9 s LYS 3 N -2.04 0.95 0.68 -0.78 -2.85 -1.26 -0.76 119.74 113.68 1ba9 s LYS 3 Ca 0.04 -0.92 -0.05 0.00 -1.00 0.00 0.00 55.97 54.04 1ba9 s LYS 3 Cb -0.01 -1.01 0.06 0.00 -2.06 0.00 0.00 37.83 34.82 1ba9 s LYS 3 CO 0.03 0.24 0.96 0.00 0.10 0.00 0.00 175.35 176.68 1ba9 s ALA 4 N -1.08 3.35 0.04 0.59 0.00 0.35 -2.24 121.76 122.77 1ba9 s ALA 4 Ca 0.01 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1ba9 s ALA 4 Cb -0.09 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1ba9 s ALA 4 CO 0.02 -1.22 -0.09 0.54 0.00 0.00 0.00 175.76 175.01 1ba9 s VAL 5 N -3.14 0.69 -0.18 0.00 0.11 0.73 -2.29 120.40 116.32 1ba9 s VAL 5 Ca 0.60 -1.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1ba9 s VAL 5 Cb -0.10 -0.70 0.06 0.00 -1.53 0.00 0.00 36.38 34.11 1ba9 s VAL 5 CO 0.43 -0.25 0.05 0.00 -3.33 0.00 0.00 175.10 172.00 1ba9 s ALA 6 N -1.15 0.86 -0.69 1.54 0.00 0.13 -0.75 121.76 121.70 1ba9 s ALA 6 Ca -0.06 -0.57 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1ba9 s ALA 6 Cb -0.09 -1.12 0.06 0.00 0.00 0.00 0.00 23.12 21.97 1ba9 s ALA 6 CO 0.01 -1.13 1.04 0.14 0.00 0.00 0.00 175.76 175.82 1ba9 s VAL 7 N 1.93 4.19 0.42 0.00 -7.23 -1.26 -0.88 120.40 117.57 1ba9 s VAL 7 Ca 0.00 -0.21 -0.25 0.00 -1.81 0.00 0.00 61.98 59.71 1ba9 s VAL 7 Cb -0.17 -4.74 -0.08 0.00 0.56 0.00 0.00 36.38 31.95 1ba9 s VAL 7 CO -0.08 -1.55 1.28 -0.76 -0.31 0.00 0.00 175.10 173.68 1ba9 s LEU 8 N 4.43 4.15 -0.07 1.32 1.02 0.89 -4.47 118.68 125.94 1ba9 s LEU 8 Ca 0.25 2.61 -0.12 0.00 0.02 0.00 0.00 54.13 56.89 1ba9 s LEU 8 Cb -0.15 -3.99 0.03 0.00 0.02 0.00 0.00 46.19 42.11 1ba9 s LEU 8 CO 0.11 -0.92 0.30 -0.75 0.02 0.00 0.00 176.35 175.11 1ba9 s LYS 9 N -2.36 0.48 0.00 1.70 2.20 0.13 -1.04 119.74 120.85 1ba9 s LYS 9 Ca 0.59 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1ba9 s LYS 9 Cb -0.37 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 1ba9 s LYS 9 CO 0.46 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.77 1ba9 n GLY 10 N 2.25 5.75 0.27 5.54 0.00 0.21 -0.99 105.19 118.22 1ba9 n GLY 10 Ca -0.17 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.68 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 0.69 -1.76 1.61 3.58 -1.88 -3.45 116.42 115.21 1ba9 h ASP 11 Ca 0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1ba9 h ASP 11 Cb 0.00 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1ba9 h ASP 11 CO 0.00 0.82 0.00 0.61 -2.88 0.00 0.00 179.24 177.79 1ba9 n GLY 12 N -0.50 2.11 0.00 -0.78 0.00 -1.26 -4.98 105.19 99.78 1ba9 n GLY 12 Ca 0.01 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.12 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 0.88 -1.48 1.61 -0.04 -1.26 -4.77 135.00 129.93 1ba9 n PRO 13 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 1ba9 n PRO 13 Cb 0.00 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 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 -0.89 0.12 -4.27 0.52 0.31 -1.26 -4.66 118.33 108.20 1ba9 n VAL 14 Ca 0.17 -0.35 -0.19 0.00 -0.01 0.00 0.00 64.34 63.95 1ba9 n VAL 14 Cb 0.08 -1.81 -0.11 0.00 -0.91 0.00 0.00 33.84 31.08 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 6.98 1.11 -0.21 5.55 -2.07 -0.97 -0.62 119.66 129.43 1ba9 s GLN 15 Ca 1.10 -1.31 -0.09 0.00 -1.82 0.00 0.00 55.36 53.24 1ba9 s GLN 15 Cb -0.73 -1.04 0.09 0.00 -1.09 0.00 0.00 33.01 30.25 1ba9 s GLN 15 CO 0.43 0.20 0.47 0.20 -1.32 0.00 0.00 175.29 175.27 1ba9 s GLY 16 N -2.57 -0.43 -0.91 2.60 0.00 -0.21 0.15 107.32 105.95 1ba9 s GLY 16 Ca 0.12 1.70 -0.19 0.00 0.00 0.00 0.00 44.72 46.35 1ba9 s GLY 16 CO 0.04 2.35 1.11 -0.42 0.00 0.00 0.00 173.10 176.18 1ba9 s ILE 17 N 2.32 4.72 0.41 0.90 1.09 -0.98 -0.08 121.20 129.57 1ba9 s ILE 17 Ca -0.05 -1.53 -0.15 0.00 -1.10 0.00 0.00 60.65 57.82 1ba9 s ILE 17 Cb -0.11 -4.77 -0.08 0.00 -1.06 0.00 0.00 42.46 36.44 1ba9 s ILE 17 CO -0.14 -1.49 0.84 -0.63 -0.10 0.00 0.00 174.94 173.42 1ba9 s ILE 18 N 2.71 4.62 -0.12 2.92 -1.09 -0.06 -3.17 121.20 127.01 1ba9 s ILE 18 Ca 0.32 1.03 -0.06 0.00 -2.23 0.00 0.00 60.65 59.71 1ba9 s ILE 18 Cb -0.06 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.21 1ba9 s ILE 18 CO -0.08 -0.41 0.28 0.20 -1.23 0.00 0.00 174.94 173.70 1ba9 s ASN 19 N -2.66 -0.23 -0.44 3.58 0.01 0.30 -0.69 114.94 114.80 1ba9 s ASN 19 Ca 0.56 0.61 -0.05 0.00 -0.71 0.00 0.00 52.86 53.27 1ba9 s ASN 19 Cb -0.10 0.53 0.12 0.00 0.41 0.00 0.00 41.25 42.21 1ba9 s ASN 19 CO 0.23 -0.18 0.26 -0.36 -1.51 0.00 0.00 177.10 175.54 1ba9 s PHE 20 N 1.48 3.53 -0.12 2.20 0.40 -0.97 -0.18 117.98 124.32 1ba9 s PHE 20 Ca -0.08 -2.27 -0.24 0.00 -0.60 0.00 0.00 56.93 53.74 1ba9 s PHE 20 Cb -0.10 -3.31 -0.02 0.00 0.51 0.00 0.00 43.02 40.09 1ba9 s PHE 20 CO -0.09 -0.97 0.77 -2.00 0.70 0.00 0.00 175.22 173.63 1ba9 s GLU 21 N 1.14 4.36 -0.05 0.44 2.12 0.64 -0.50 118.70 126.86 1ba9 s GLU 21 Ca 0.08 0.96 -0.03 0.00 0.36 0.00 0.00 54.97 56.34 1ba9 s GLU 21 Cb -0.24 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 1ba9 s GLU 21 CO -0.03 -0.15 -0.06 0.94 -0.54 0.00 0.00 175.26 175.41 1ba9 n GLN 22 N 4.58 0.15 0.00 4.30 -0.06 0.06 -0.49 117.38 125.91 1ba9 n GLN 22 Ca 0.02 0.33 0.00 0.00 -2.00 0.00 0.00 57.00 55.35 1ba9 n GLN 22 Cb 0.50 -1.05 0.00 0.00 -4.06 0.00 0.00 30.24 25.63 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1ba9 n LYS 23 N -3.02 0.00 0.00 3.69 0.00 -1.13 -4.48 118.16 113.22 1ba9 n LYS 23 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.38 1ba9 n LYS 23 Cb 0.09 -0.04 0.45 0.00 0.00 0.00 0.00 35.03 35.53 1ba9 n LYS 23 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ba9 n GLU 24 N 0.00 0.13 0.00 1.64 4.07 -1.26 -3.86 120.64 121.36 1ba9 n GLU 24 Ca 0.00 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 1ba9 n GLU 24 Cb 0.00 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 1ba9 n GLU 24 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ba9 n SER 25 N -1.40 0.00 -2.79 4.31 2.88 -1.26 -3.82 113.62 111.55 1ba9 n SER 25 Ca 0.07 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 1ba9 n SER 25 Cb 0.19 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.71 1ba9 n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ba9 n ASN 26 N 2.29 1.09 -1.18 -3.46 2.85 -1.26 -4.66 115.26 110.93 1ba9 n ASN 26 Ca 0.00 -2.17 -0.01 0.00 -0.11 0.00 0.00 54.58 52.29 1ba9 n ASN 26 Cb 0.00 -0.31 -0.00 0.00 1.24 0.00 0.00 39.78 40.71 1ba9 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ba9 n GLY 27 N -0.62 4.01 3.70 8.20 0.00 -1.25 -5.11 105.19 114.12 1ba9 n GLY 27 Ca 0.04 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1ba9 n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 28 N -0.02 2.58 -3.40 1.61 -0.04 -1.26 -4.81 135.00 129.66 1ba9 n PRO 28 Ca 0.00 0.93 -0.37 0.00 -0.04 0.00 0.00 63.50 64.02 1ba9 n PRO 28 Cb 0.02 -2.76 -0.07 0.00 -0.04 0.00 0.00 33.50 30.66 1ba9 n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ba9 s VAL 29 N 1.09 5.23 -0.32 0.52 1.01 0.04 -4.74 120.40 123.23 1ba9 s VAL 29 Ca 0.76 0.78 -0.21 0.00 0.00 0.00 0.00 61.98 63.32 1ba9 s VAL 29 Cb -0.56 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1ba9 s VAL 29 CO 0.34 0.33 0.65 -0.54 0.00 0.00 0.00 175.10 175.88 1ba9 s LYS 30 N 0.69 3.84 -0.21 2.72 -0.14 0.35 -0.71 119.74 126.27 1ba9 s LYS 30 Ca 0.22 0.25 -0.09 0.00 -1.36 0.00 0.00 55.97 54.98 1ba9 s LYS 30 Cb -0.14 -3.75 -0.05 0.00 -1.68 0.00 0.00 37.83 32.21 1ba9 s LYS 30 CO 0.08 -0.64 0.12 0.54 -0.76 0.00 0.00 175.35 174.69 1ba9 s VAL 31 N 2.68 5.18 0.22 3.17 0.11 0.67 -0.26 120.40 132.16 1ba9 s VAL 31 Ca 0.26 0.11 0.09 0.00 -2.93 0.00 0.00 61.98 59.51 1ba9 s VAL 31 Cb -0.15 -3.38 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1ba9 s VAL 31 CO 0.13 0.40 -0.18 0.26 -3.33 0.00 0.00 175.10 172.38 1ba9 s TRP 32 N 0.72 1.94 0.25 1.54 0.51 0.75 -0.71 118.94 123.94 1ba9 s TRP 32 Ca 0.06 -0.46 -0.20 0.00 -2.12 0.00 0.00 56.10 53.38 1ba9 s TRP 32 Cb -0.13 -0.90 0.06 0.00 -0.81 0.00 0.00 33.47 31.70 1ba9 s TRP 32 CO 0.02 0.47 0.92 0.20 -0.51 0.00 0.00 176.95 178.04 1ba9 s GLY 33 N -3.19 0.12 -0.42 0.98 0.00 -0.82 -0.54 107.32 103.46 1ba9 s GLY 33 Ca 0.23 -0.39 0.05 0.00 0.00 0.00 0.00 44.72 44.60 1ba9 s GLY 33 CO 0.09 0.91 0.74 -0.56 0.00 0.00 0.00 173.10 174.28 1ba9 s SER 34 N -3.18 -1.28 0.80 1.64 0.01 -1.19 -0.67 113.70 109.84 1ba9 s SER 34 Ca 0.17 -0.88 -0.11 0.00 1.31 0.00 0.00 55.95 56.44 1ba9 s SER 34 Cb -0.03 1.65 0.08 0.00 0.21 0.00 0.00 66.02 67.92 1ba9 s SER 34 CO 0.07 -0.12 1.11 -0.51 0.41 0.00 0.00 173.24 174.20 1ba9 s ILE 35 N 1.60 2.95 -0.39 1.44 1.10 -0.49 -2.33 121.20 125.09 1ba9 s ILE 35 Ca 0.19 0.32 0.05 0.00 -0.51 0.00 0.00 60.65 60.70 1ba9 s ILE 35 Cb -0.01 -2.69 0.17 0.00 0.15 0.00 0.00 42.46 40.08 1ba9 s ILE 35 CO -0.08 -0.39 0.47 -0.75 -2.11 0.00 0.00 174.94 172.08 1ba9 s LYS 36 N -4.76 0.73 0.00 3.50 2.20 0.12 -3.40 119.74 118.12 1ba9 s LYS 36 Ca 0.63 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1ba9 s LYS 36 Cb -0.19 -0.46 0.00 0.00 -1.51 0.00 0.00 37.83 35.67 1ba9 s LYS 36 CO 0.55 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 1ba9 n GLY 37 N 4.20 0.06 2.84 5.54 0.00 -0.29 -2.30 105.19 115.24 1ba9 n GLY 37 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.37 0.99 4.32 -0.99 -4.72 117.00 112.23 1ba9 n LEU 38 Ca 0.00 -0.78 -0.30 0.00 -0.02 0.00 0.00 56.01 54.91 1ba9 n LEU 38 Cb 0.00 -0.89 -0.14 0.00 -1.62 0.00 0.00 43.42 40.77 1ba9 n LEU 38 CO 0.00 -2.71 -0.56 0.42 -1.22 0.00 0.00 177.39 173.32 1ba9 s THR 39 N -1.98 2.26 0.17 -5.08 -4.23 -1.26 -4.11 115.64 101.40 1ba9 s THR 39 Ca 0.60 -1.44 -0.33 0.00 -1.18 0.00 0.00 61.69 59.34 1ba9 s THR 39 Cb -0.11 -1.91 -0.16 0.00 1.34 0.00 0.00 72.50 71.66 1ba9 s THR 39 CO 0.50 0.31 1.14 -1.84 -0.54 0.00 0.00 174.62 174.19 1ba9 n GLU 40 N 1.56 1.09 0.00 3.99 0.00 -1.21 -4.52 120.64 121.55 1ba9 n GLU 40 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.38 1ba9 n GLU 40 Cb 0.52 -1.87 0.00 0.00 0.00 0.00 0.00 31.44 30.09 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 1.99 -0.60 3.76 -1.84 0.00 -0.59 -4.92 105.19 103.00 1ba9 n GLY 41 Ca 0.15 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1ba9 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ba9 s LEU 42 N 0.00 4.40 -0.07 0.99 1.02 -1.26 -0.65 118.68 123.12 1ba9 s LEU 42 Ca 0.00 1.13 0.02 0.00 0.02 0.00 0.00 54.13 55.31 1ba9 s LEU 42 Cb 0.00 -2.90 0.01 0.00 0.02 0.00 0.00 46.19 43.32 1ba9 s LEU 42 CO 0.00 0.09 -0.13 -1.00 0.02 0.00 0.00 176.35 175.33 1ba9 s HIS 43 N -0.11 1.52 0.55 0.29 3.76 0.51 -2.06 115.29 119.75 1ba9 s HIS 43 Ca 0.31 -0.56 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 1ba9 s HIS 43 Cb -0.18 -1.10 -0.05 0.00 1.11 0.00 0.00 32.58 32.36 1ba9 s HIS 43 CO 0.17 -0.28 1.13 0.20 -0.85 0.00 0.00 174.74 175.11 1ba9 s GLY 44 N 0.62 2.62 -0.12 -2.22 0.00 -0.44 -0.57 107.32 107.20 1ba9 s GLY 44 Ca -0.14 0.82 -0.05 0.00 0.00 0.00 0.00 44.72 45.35 1ba9 s GLY 44 CO 0.04 1.18 0.24 -0.12 0.00 0.00 0.00 173.10 174.44 1ba9 s PHE 45 N -1.79 -0.36 0.13 1.90 2.19 -0.56 -0.49 117.98 119.00 1ba9 s PHE 45 Ca 0.73 0.87 -0.10 0.00 0.33 0.00 0.00 56.93 58.76 1ba9 s PHE 45 Cb -0.24 -0.07 -0.00 0.00 -1.31 0.00 0.00 43.02 41.40 1ba9 s PHE 45 CO 0.28 -0.32 0.26 -1.01 1.83 0.00 0.00 175.22 176.26 1ba9 s HIS 46 N 2.21 0.22 -0.48 10.12 3.76 -0.58 -3.27 115.29 127.28 1ba9 s HIS 46 Ca -0.00 -0.61 -0.21 0.00 -0.15 0.00 0.00 55.06 54.08 1ba9 s HIS 46 Cb -0.12 -0.02 0.04 0.00 1.11 0.00 0.00 32.58 33.59 1ba9 s HIS 46 CO -0.08 -0.64 0.72 0.08 -0.85 0.00 0.00 174.74 173.97 1ba9 s VAL 47 N -3.90 4.73 1.04 -0.90 1.01 -0.38 -0.89 120.40 121.10 1ba9 s VAL 47 Ca 0.10 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1ba9 s VAL 47 Cb 0.04 -4.31 0.22 0.00 0.00 0.00 0.00 36.38 32.32 1ba9 s VAL 47 CO -0.06 -0.77 1.18 -1.00 0.00 0.00 0.00 175.10 174.45 1ba9 s HIS 48 N 3.07 1.43 0.00 5.22 3.76 -0.70 -2.35 115.29 125.73 1ba9 s HIS 48 Ca 0.23 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 1ba9 s HIS 48 Cb -0.15 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 29.91 1ba9 s HIS 48 CO 0.18 -3.06 0.00 -0.85 -0.85 0.00 0.00 174.74 170.16 1ba9 n GLU 49 N -4.17 2.56 0.00 1.40 -0.00 -0.87 -4.26 120.64 115.30 1ba9 n GLU 49 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 1ba9 n GLU 49 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.03 1ba9 n GLU 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1ba9 n GLU 50 N 0.00 0.00 0.00 3.44 -0.00 -1.26 -3.75 120.64 119.07 1ba9 n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1ba9 n GLU 50 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1ba9 n GLU 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1ba9 n GLU 51 N 7.51 0.00 -2.20 3.44 2.13 -1.26 -3.55 120.64 126.71 1ba9 n GLU 51 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 1ba9 n GLU 51 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1ba9 n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ba9 n ASP 52 N 0.00 4.21 0.00 4.31 2.03 -1.26 -3.56 116.55 122.28 1ba9 n ASP 52 Ca 0.00 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.46 1ba9 n ASP 52 Cb 0.00 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 38.72 1ba9 n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1ba9 n ASN 53 N 8.86 0.00 -2.27 1.67 3.02 -1.26 -5.02 115.26 120.26 1ba9 n ASN 53 Ca 0.49 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.94 1ba9 n ASN 53 Cb 0.44 0.11 -0.11 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.75 2.15 -0.33 3.41 -2.24 -1.23 -4.65 114.28 109.64 1ba9 n THR 54 Ca 0.00 -1.10 0.17 0.00 -2.27 0.00 0.00 64.05 60.85 1ba9 n THR 54 Cb 0.00 -1.89 0.41 0.00 -2.10 0.00 0.00 70.33 66.76 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 4.16 1.93 -1.22 6.98 0.00 -1.90 -1.66 119.26 127.54 1ba9 h ALA 55 Ca 0.18 0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.68 1ba9 h ALA 55 Cb 0.95 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.30 1ba9 h ALA 55 CO 0.44 -0.32 -0.94 0.41 0.00 0.00 0.00 179.25 178.85 1ba9 n GLY 56 N -1.40 4.09 5.00 0.00 0.00 -1.26 -5.02 105.19 106.60 1ba9 n GLY 56 Ca 0.24 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 1.83 -0.81 0.00 -1.04 -1.26 -3.12 114.28 109.87 1ba9 n THR 58 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1ba9 n THR 58 Cb 0.00 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 1ba9 n THR 58 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ba9 n SER 59 N -0.99 -1.12 -4.65 8.00 7.64 -1.26 -4.33 113.62 116.91 1ba9 n SER 59 Ca 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.56 1ba9 n SER 59 Cb 0.50 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ba9 s ALA 60 N -2.88 3.42 1.23 -0.43 0.00 -1.18 -4.70 121.76 117.22 1ba9 s ALA 60 Ca 0.00 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.71 1ba9 s ALA 60 Cb 0.00 -3.84 0.29 0.00 0.00 0.00 0.00 23.12 19.57 1ba9 s ALA 60 CO 0.00 -1.74 1.07 0.20 0.00 0.00 0.00 175.76 175.29 1ba9 s GLY 61 N 4.50 1.55 1.15 0.00 0.00 -1.26 -5.03 107.32 108.22 1ba9 s GLY 61 Ca 0.81 -0.84 -0.19 0.00 0.00 0.00 0.00 44.72 44.50 1ba9 s GLY 61 CO 0.34 0.04 1.05 -1.55 0.00 0.00 0.00 173.10 172.98 1ba9 n PRO 62 N -4.89 -2.91 -1.65 2.90 -0.04 -1.26 -4.42 135.00 122.72 1ba9 n PRO 62 Ca 0.12 -1.68 -0.48 0.00 -0.04 0.00 0.00 63.50 61.42 1ba9 n PRO 62 Cb 0.59 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 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 -4.67 2.10 -2.17 0.54 8.25 -1.26 -2.05 115.22 115.96 1ba9 n HIS 63 Ca 0.14 0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 57.51 1ba9 n HIS 63 Cb 0.56 -2.51 -0.02 0.00 1.12 0.00 0.00 29.99 29.14 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 1.25 2.19 -0.45 4.41 2.19 -0.99 -4.74 117.98 121.85 1ba9 s PHE 64 Ca 0.82 0.62 0.08 0.00 0.33 0.00 0.00 56.93 58.78 1ba9 s PHE 64 Cb -0.75 -4.02 0.25 0.00 -1.31 0.00 0.00 43.02 37.19 1ba9 s PHE 64 CO 0.42 -2.64 0.58 0.27 1.83 0.00 0.00 175.22 175.69 1ba9 n ASN 65 N 8.58 1.03 0.27 6.13 6.94 -1.26 -2.73 115.26 134.22 1ba9 n ASN 65 Ca 0.18 -2.88 0.13 0.00 -0.02 0.00 0.00 54.58 52.00 1ba9 n ASN 65 Cb 0.46 -0.65 0.76 0.00 -2.36 0.00 0.00 39.78 37.99 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 3.99 0.00 0.00 -0.53 0.13 -1.96 0.20 132.00 133.83 1ba9 h PRO 66 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ba9 h PRO 66 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1ba9 h PRO 66 CO 0.55 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1ba9 n LEU 67 N -3.62 0.00 -3.56 1.56 4.77 -1.26 -4.92 117.00 109.98 1ba9 n LEU 67 Ca -0.02 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.97 1ba9 n LEU 67 Cb 0.22 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1ba9 n LEU 67 CO 0.29 -0.05 0.18 -0.24 -1.33 0.00 0.00 177.39 176.25 1ba9 n SER 68 N -1.22 -4.56 -5.00 -1.43 2.88 0.71 -5.02 113.62 99.99 1ba9 n SER 68 Ca 0.13 -0.59 -0.18 0.00 -1.33 0.00 0.00 58.87 56.90 1ba9 n SER 68 Cb 0.17 -4.99 0.01 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 -5.97 2.94 0.81 -1.46 0.52 -1.26 -5.13 118.95 109.40 1ba9 s ARG 69 Ca 0.36 -1.07 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 1ba9 s ARG 69 Cb -0.16 -2.75 0.08 0.00 0.52 0.00 0.00 34.95 32.64 1ba9 s ARG 69 CO 0.74 -0.17 1.18 0.15 0.02 0.00 0.00 175.30 177.22 1ba9 s LYS 70 N -4.32 1.94 0.38 3.54 1.02 -1.26 -4.85 119.74 116.19 1ba9 s LYS 70 Ca 0.51 0.09 -0.25 0.00 0.02 0.00 0.00 55.97 56.33 1ba9 s LYS 70 Cb -0.10 -1.95 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 1ba9 s LYS 70 CO 0.33 -1.61 1.05 -1.58 -0.92 0.00 0.00 175.35 172.62 1ba9 s HIS 71 N -3.58 3.34 0.00 3.18 5.65 0.45 -3.35 115.29 120.98 1ba9 s HIS 71 Ca 0.62 1.66 0.00 0.00 0.25 0.00 0.00 55.06 57.59 1ba9 s HIS 71 Cb -0.11 -3.14 0.00 0.00 -1.18 0.00 0.00 32.58 28.15 1ba9 s HIS 71 CO 0.49 -0.57 0.00 0.41 -0.65 0.00 0.00 174.74 174.42 1ba9 n GLY 72 N 0.48 1.20 3.87 1.59 0.00 -1.23 -3.68 105.19 107.43 1ba9 n GLY 72 Ca 0.04 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.90 1.78 0.58 -0.02 0.00 -1.11 -4.37 107.32 102.28 1ba9 s GLY 73 Ca 0.00 -1.65 0.27 0.00 0.00 0.00 0.00 44.72 43.35 1ba9 s GLY 73 CO 0.00 -1.56 2.17 -0.56 0.00 0.00 0.00 173.10 173.15 1ba9 h PRO 74 N 1.18 0.00 -0.00 2.90 0.13 -1.84 0.15 132.00 134.51 1ba9 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ba9 h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ba9 h PRO 74 CO 0.57 0.00 -0.16 0.36 -0.23 0.00 0.00 178.00 178.54 1ba9 n LYS 75 N -3.94 0.54 -4.10 0.86 2.85 -1.26 -4.90 118.16 108.21 1ba9 n LYS 75 Ca -0.01 -0.21 -0.22 0.00 -1.05 0.00 0.00 58.31 56.83 1ba9 n LYS 75 Cb 0.21 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.04 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 -2.60 5.20 0.19 -5.58 1.01 0.04 -5.03 116.67 109.89 1ba9 s ASP 76 Ca 0.24 -0.42 -0.11 0.00 0.71 0.00 0.00 52.55 52.97 1ba9 s ASP 76 Cb 0.19 -1.15 0.10 0.00 1.01 0.00 0.00 42.92 43.08 1ba9 s ASP 76 CO 0.51 -0.11 1.79 -0.08 0.21 0.00 0.00 175.17 177.50 1ba9 h GLU 77 N 1.54 0.92 -6.52 8.23 4.57 -1.90 -3.42 114.58 117.99 1ba9 h GLU 77 Ca -0.46 -0.12 -0.53 0.00 -1.18 0.00 0.00 59.36 57.07 1ba9 h GLU 77 Cb 1.24 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 1ba9 h GLU 77 CO 0.60 0.71 0.09 -2.00 -1.18 0.00 0.00 179.01 177.24 1ba9 s GLU 78 N -5.78 4.26 0.00 1.92 2.56 -1.26 -5.04 118.70 115.36 1ba9 s GLU 78 Ca -0.13 0.86 0.00 0.00 0.00 0.00 0.00 54.97 55.71 1ba9 s GLU 78 Cb 0.14 -2.95 0.00 0.00 2.00 0.00 0.00 34.13 33.31 1ba9 s GLU 78 CO 0.79 0.44 0.00 2.89 -0.56 0.00 0.00 175.26 178.82 1ba9 n ARG 79 N 0.91 0.00 -0.93 4.30 1.85 -1.21 -2.77 116.66 118.80 1ba9 n ARG 79 Ca -0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.56 1ba9 n ARG 79 Cb 0.51 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.13 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ba9 n HIS 80 N 0.00 -3.78 0.05 2.89 8.25 -1.25 -4.83 115.22 116.55 1ba9 n HIS 80 Ca 0.00 -0.86 -0.13 0.00 -0.26 0.00 0.00 57.72 56.47 1ba9 n HIS 80 Cb 0.00 -0.97 -0.09 0.00 1.12 0.00 0.00 29.99 30.05 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 -2.52 1.10 -1.84 1.59 3.04 -1.89 -3.25 116.25 112.49 1ba9 h VAL 81 Ca -0.35 -0.63 -0.71 0.00 -1.01 0.00 0.00 66.70 64.00 1ba9 h VAL 81 Cb 1.08 1.51 -0.32 0.00 -2.01 0.00 0.00 31.29 31.54 1ba9 h VAL 81 CO 0.23 0.16 0.44 0.61 -1.01 0.00 0.00 177.57 178.00 1ba9 n GLY 82 N -0.36 5.70 3.08 3.17 0.00 -1.25 -4.81 105.19 110.71 1ba9 n GLY 82 Ca -0.08 -2.58 -0.41 0.00 0.00 0.00 0.00 46.02 42.95 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 -0.51 5.47 -1.85 1.61 9.92 -1.23 -1.25 116.55 128.70 1ba9 n ASP 83 Ca 0.49 -3.25 -0.11 0.00 -0.53 0.00 0.00 54.79 51.39 1ba9 n ASP 83 Cb 0.38 -1.21 -0.03 0.00 -0.64 0.00 0.00 41.12 39.62 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 1.89 5.83 0.00 0.64 4.77 -1.20 -3.98 117.00 124.95 1ba9 n LEU 84 Ca 0.25 -3.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 1ba9 n LEU 84 Cb 0.36 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1ba9 n LEU 84 CO 0.55 1.31 0.00 0.61 -1.33 0.00 0.00 177.39 178.52 1ba9 n GLY 85 N 1.26 1.63 3.41 -0.72 0.00 -1.26 -4.74 105.19 104.76 1ba9 n GLY 85 Ca 0.24 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.84 3.10 0.31 1.61 2.20 -1.26 -1.49 114.94 116.56 1ba9 s ASN 86 Ca 0.00 -1.01 0.09 0.00 -0.94 0.00 0.00 52.86 51.01 1ba9 s ASN 86 Cb 0.00 -0.22 -0.05 0.00 -2.00 0.00 0.00 41.25 38.98 1ba9 s ASN 86 CO 0.00 -0.05 -0.00 0.68 -2.94 0.00 0.00 177.10 174.79 1ba9 s VAL 87 N -2.62 2.95 -0.32 3.54 -7.23 0.26 -4.91 120.40 112.07 1ba9 s VAL 87 Ca 0.25 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1ba9 s VAL 87 Cb -0.03 -2.77 0.05 0.00 0.56 0.00 0.00 36.38 34.18 1ba9 s VAL 87 CO 0.11 -0.29 0.05 -0.89 -0.31 0.00 0.00 175.10 173.78 1ba9 s THR 88 N -2.44 3.30 0.39 5.32 2.01 -1.26 -0.37 115.64 122.59 1ba9 s THR 88 Ca 0.33 -1.35 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 1ba9 s THR 88 Cb -0.03 -2.92 -0.11 0.00 0.01 0.00 0.00 72.50 69.46 1ba9 s THR 88 CO 0.19 -0.18 0.95 0.00 -0.69 0.00 0.00 174.62 174.89 1ba9 s ALA 89 N 1.30 3.10 0.97 7.40 0.00 0.18 -4.36 121.76 130.34 1ba9 s ALA 89 Ca -0.03 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 1ba9 s ALA 89 Cb -0.20 -3.16 0.21 0.00 0.00 0.00 0.00 23.12 19.97 1ba9 s ALA 89 CO 0.00 0.14 1.33 0.16 0.00 0.00 0.00 175.76 177.39 1ba9 s ASP 90 N -1.96 3.01 0.00 0.00 1.47 0.56 -1.53 116.67 118.21 1ba9 s ASP 90 Ca 0.57 0.17 0.15 0.00 1.18 0.00 0.00 52.55 54.62 1ba9 s ASP 90 Cb -0.13 -0.17 0.80 0.00 -0.34 0.00 0.00 42.92 43.08 1ba9 s ASP 90 CO 0.17 -2.79 1.37 2.29 0.68 0.00 0.00 175.17 176.90 1ba9 n LYS 91 N -3.78 0.30 0.00 2.11 -0.00 -1.26 -0.93 118.16 114.61 1ba9 n LYS 91 Ca 0.16 0.10 0.10 0.00 -0.00 0.00 0.00 58.31 58.67 1ba9 n LYS 91 Cb 0.59 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 34.04 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 -1.18 1.32 0.00 -5.58 -0.08 -1.26 -4.94 116.55 104.82 1ba9 n ASP 92 Ca 0.09 -1.16 0.00 0.00 -1.51 0.00 0.00 54.79 52.21 1ba9 n ASP 92 Cb 0.09 0.83 0.00 0.00 2.34 0.00 0.00 41.12 44.38 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ba9 n GLY 93 N 1.46 0.68 3.31 0.27 0.00 -0.10 -4.78 105.19 106.03 1ba9 n GLY 93 Ca 0.06 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1ba9 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ba9 s VAL 94 N -2.00 3.02 -0.30 1.61 1.01 -1.26 -1.14 120.40 121.34 1ba9 s VAL 94 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1ba9 s VAL 94 Cb 0.00 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 34.12 1ba9 s VAL 94 CO 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 175.10 175.58 1ba9 s ALA 95 N 0.91 2.80 0.54 5.51 0.00 -1.22 -0.32 121.76 129.97 1ba9 s ALA 95 Ca -0.02 -1.76 -0.18 0.00 0.00 0.00 0.00 51.96 50.00 1ba9 s ALA 95 Cb -0.15 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 1ba9 s ALA 95 CO -0.00 -1.27 1.04 0.16 0.00 0.00 0.00 175.76 175.69 1ba9 s ASP 96 N 1.24 6.10 0.08 0.00 -4.77 -1.26 -1.39 116.67 116.67 1ba9 s ASP 96 Ca -0.05 1.83 0.06 0.00 -3.30 0.00 0.00 52.55 51.09 1ba9 s ASP 96 Cb -0.20 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.06 1ba9 s ASP 96 CO -0.01 -0.95 -0.16 -0.69 0.70 0.00 0.00 175.17 174.06 1ba9 s VAL 97 N -2.28 1.28 -0.41 2.11 1.01 0.16 -4.67 120.40 117.59 1ba9 s VAL 97 Ca 0.65 -1.39 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1ba9 s VAL 97 Cb -0.15 -1.22 0.29 0.00 0.00 0.00 0.00 36.38 35.30 1ba9 s VAL 97 CO 0.30 -0.19 1.15 -0.24 0.00 0.00 0.00 175.10 176.12 1ba9 n SER 98 N 1.19 -2.00 -3.54 3.32 2.88 -1.23 -1.94 113.62 112.31 1ba9 n SER 98 Ca -0.21 -2.75 -0.20 0.00 -1.33 0.00 0.00 58.87 54.39 1ba9 n SER 98 Cb 0.54 1.46 -0.05 0.00 -0.75 0.00 0.00 64.21 65.41 1ba9 n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ba9 n ILE 99 N 0.97 0.00 -4.08 2.46 3.06 0.11 -4.98 119.36 116.90 1ba9 n ILE 99 Ca 0.03 -1.65 -0.10 0.00 -2.50 0.00 0.00 62.75 58.53 1ba9 n ILE 99 Cb 0.70 0.44 -0.09 0.00 0.54 0.00 0.00 39.64 41.23 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 -3.18 1.04 0.03 9.51 -1.05 -1.26 -0.24 118.70 123.55 1ba9 s GLU 100 Ca 0.06 -1.35 -0.02 0.00 -0.15 0.00 0.00 54.97 53.51 1ba9 s GLU 100 Cb 0.00 0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 33.97 1ba9 s GLU 100 CO 0.04 -0.33 0.02 0.34 0.95 0.00 0.00 175.26 176.28 1ba9 s ASP 101 N -3.02 0.29 -0.10 0.83 2.15 0.11 -4.90 116.67 112.03 1ba9 s ASP 101 Ca 0.22 -0.66 0.19 0.00 0.43 0.00 0.00 52.55 52.74 1ba9 s ASP 101 Cb 0.06 0.18 -0.28 0.00 -0.30 0.00 0.00 42.92 42.57 1ba9 s ASP 101 CO 0.02 -0.46 0.28 -1.54 -0.17 0.00 0.00 175.17 173.30 1ba9 n SER 102 N 0.86 0.27 0.06 -0.34 3.41 -1.26 -0.78 113.62 115.85 1ba9 n SER 102 Ca -0.19 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.37 1ba9 n SER 102 Cb 0.58 1.51 -0.02 0.00 -0.26 0.00 0.00 64.21 66.02 1ba9 n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ba9 h VAL 103 N 0.00 0.07 -3.87 -3.33 2.07 -1.97 -3.47 116.25 105.76 1ba9 h VAL 103 Ca -0.23 -0.85 -0.46 0.00 0.82 0.00 0.00 66.70 65.97 1ba9 h VAL 103 Cb 1.50 0.13 0.16 0.00 -1.52 0.00 0.00 31.29 31.56 1ba9 h VAL 103 CO 0.01 0.02 0.19 0.27 0.02 0.00 0.00 177.57 178.08 1ba9 s ILE 104 N -2.45 2.28 0.33 4.57 -5.25 -1.26 -4.93 121.20 114.48 1ba9 s ILE 104 Ca -0.05 0.09 -0.18 0.00 -0.99 0.00 0.00 60.65 59.53 1ba9 s ILE 104 Cb 0.00 -2.50 0.06 0.00 2.95 0.00 0.00 42.46 42.98 1ba9 s ILE 104 CO 0.14 -0.12 0.86 -0.55 -1.79 0.00 0.00 174.94 173.48 1ba9 s SER 105 N -3.28 -0.00 -0.38 4.36 0.15 -1.08 -4.74 113.70 108.73 1ba9 s SER 105 Ca 0.65 -1.00 0.06 0.00 0.70 0.00 0.00 55.95 56.36 1ba9 s SER 105 Cb -0.19 0.75 0.55 0.00 -1.71 0.00 0.00 66.02 65.42 1ba9 s SER 105 CO 0.58 -1.49 1.66 0.18 1.20 0.00 0.00 173.24 175.38 1ba9 n LEU 106 N -0.58 5.43 -3.70 3.45 4.32 -1.26 -1.05 117.00 123.62 1ba9 n LEU 106 Ca -0.07 -3.85 -0.12 0.00 -0.02 0.00 0.00 56.01 51.95 1ba9 n LEU 106 Cb 0.60 -0.72 -0.06 0.00 -1.62 0.00 0.00 43.42 41.61 1ba9 n LEU 106 CO 0.25 1.28 0.10 -0.94 -1.22 0.00 0.00 177.39 176.86 1ba9 s SER 107 N -2.12 -0.21 0.80 -1.43 1.04 -1.26 -4.82 113.70 105.69 1ba9 s SER 107 Ca 0.51 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1ba9 s SER 107 Cb 0.44 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1ba9 s SER 107 CO 0.04 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1ba9 n GLY 108 N 0.43 -0.39 0.23 7.32 0.00 -1.26 -2.76 105.19 108.76 1ba9 n GLY 108 Ca -0.18 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.19 1ba9 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ba9 h ASP 109 N 0.00 0.00 0.54 1.61 5.19 -2.00 -1.57 116.42 120.20 1ba9 h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ba9 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ba9 h ASP 109 CO 0.00 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 177.53 1ba9 n HIS 110 N -2.57 0.00 -1.38 4.55 8.25 -1.19 -4.85 115.22 118.04 1ba9 n HIS 110 Ca -0.02 0.00 -0.51 0.00 -0.26 0.00 0.00 57.72 56.93 1ba9 n HIS 110 Cb 0.06 -0.38 -0.11 0.00 1.12 0.00 0.00 29.99 30.67 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ba9 n SER 111 N -1.38 1.11 0.04 0.41 2.88 -0.59 -2.64 113.62 113.44 1ba9 n SER 111 Ca 0.08 0.40 0.09 0.00 -1.33 0.00 0.00 58.87 58.11 1ba9 n SER 111 Cb 0.20 -1.05 0.39 0.00 -0.75 0.00 0.00 64.21 63.01 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 7.04 0.85 -1.70 2.46 -0.00 -0.22 -4.68 119.36 123.11 1ba9 n ILE 112 Ca 0.53 0.20 -0.42 0.00 -0.00 0.00 0.00 62.75 63.05 1ba9 n ILE 112 Cb 0.09 -0.99 -0.03 0.00 -0.00 0.00 0.00 39.64 38.71 1ba9 n ILE 112 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1ba9 s ILE 113 N -3.10 3.10 0.00 7.28 -1.09 -1.26 -1.91 121.20 124.21 1ba9 s ILE 113 Ca 0.07 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1ba9 s ILE 113 Cb 0.10 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1ba9 s ILE 113 CO 0.34 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1ba9 n GLY 114 N 4.95 0.74 3.50 6.18 0.00 0.14 -5.01 105.19 115.69 1ba9 n GLY 114 Ca 0.23 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1ba9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 s ARG 115 N -3.33 1.80 0.09 1.61 1.81 -0.80 -4.71 118.95 115.41 1ba9 s ARG 115 Ca 0.00 -1.38 -0.30 0.00 -1.72 0.00 0.00 55.73 52.33 1ba9 s ARG 115 Cb 0.00 -2.02 -0.06 0.00 -0.45 0.00 0.00 34.95 32.43 1ba9 s ARG 115 CO 0.00 0.42 1.09 0.99 -0.68 0.00 0.00 175.30 177.13 1ba9 s THR 116 N -1.65 4.22 -0.07 0.02 2.01 -1.23 -0.89 115.64 118.05 1ba9 s THR 116 Ca 0.22 1.71 0.05 0.00 0.31 0.00 0.00 61.69 63.98 1ba9 s THR 116 Cb -0.09 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 1ba9 s THR 116 CO 0.12 0.20 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.81 1ba9 s LEU 117 N 0.49 2.02 0.01 4.42 0.20 0.35 -1.72 118.68 124.46 1ba9 s LEU 117 Ca 0.53 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.86 1ba9 s LEU 117 Cb -0.27 -1.28 -0.01 0.00 -0.43 0.00 0.00 46.19 44.20 1ba9 s LEU 117 CO 0.31 0.18 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.85 1ba9 s VAL 118 N 0.11 0.07 0.13 1.68 1.01 -0.07 -0.95 120.40 122.38 1ba9 s VAL 118 Ca -0.10 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1ba9 s VAL 118 Cb -0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1ba9 s VAL 118 CO 0.05 -0.31 -0.01 0.54 0.00 0.00 0.00 175.10 175.37 1ba9 s VAL 119 N -0.91 3.79 0.26 2.92 0.11 -0.61 -1.52 120.40 124.44 1ba9 s VAL 119 Ca -0.10 -1.24 0.11 0.00 -2.93 0.00 0.00 61.98 57.82 1ba9 s VAL 119 Cb -0.06 -2.85 -0.05 0.00 -1.53 0.00 0.00 36.38 31.89 1ba9 s VAL 119 CO -0.01 0.00 -0.12 -1.00 -3.33 0.00 0.00 175.10 170.65 1ba9 s HIS 120 N -1.50 2.48 -0.03 1.54 3.76 0.36 -1.93 115.29 119.96 1ba9 s HIS 120 Ca 0.26 -0.28 -0.14 0.00 -0.15 0.00 0.00 55.06 54.75 1ba9 s HIS 120 Cb -0.10 -1.10 -0.08 0.00 1.11 0.00 0.00 32.58 32.41 1ba9 s HIS 120 CO 0.18 0.66 0.63 1.49 -0.85 0.00 0.00 174.74 176.84 1ba9 h GLU 121 N 2.20 -0.49 -7.65 1.40 4.22 -0.78 -3.30 114.58 110.18 1ba9 h GLU 121 Ca -0.42 0.03 -0.46 0.00 0.08 0.00 0.00 59.36 58.59 1ba9 h GLU 121 Cb 1.25 0.11 0.12 0.00 0.50 0.00 0.00 28.75 30.74 1ba9 h GLU 121 CO 0.59 -0.33 0.39 0.15 -2.18 0.00 0.00 179.01 177.63 1ba9 s LYS 122 N -3.24 1.41 0.33 1.92 -0.14 0.12 -4.50 119.74 115.63 1ba9 s LYS 122 Ca -0.07 -0.01 -0.27 0.00 -1.36 0.00 0.00 55.97 54.25 1ba9 s LYS 122 Cb 0.01 -1.90 -0.09 0.00 -1.68 0.00 0.00 37.83 34.17 1ba9 s LYS 122 CO 0.22 -1.96 1.10 0.00 -0.76 0.00 0.00 175.35 173.96 1ba9 s ALA 123 N -3.60 3.30 0.20 5.17 0.00 -0.87 -1.33 121.76 124.62 1ba9 s ALA 123 Ca 0.66 0.87 -0.32 0.00 0.00 0.00 0.00 51.96 53.17 1ba9 s ALA 123 Cb -0.10 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 1ba9 s ALA 123 CO 0.51 -0.24 1.74 -0.51 0.00 0.00 0.00 175.76 177.26 1ba9 s ASP 124 N -1.07 6.38 0.00 0.00 1.01 -1.26 -4.15 116.67 117.57 1ba9 s ASP 124 Ca 0.50 2.87 0.31 0.00 0.71 0.00 0.00 52.55 56.93 1ba9 s ASP 124 Cb -0.30 -2.60 1.67 0.00 1.01 0.00 0.00 42.92 42.71 1ba9 s ASP 124 CO 0.38 -0.98 2.11 -0.67 0.21 0.00 0.00 175.17 176.22 1ba9 n ASP 125 N 4.17 0.10 -3.58 0.27 -0.08 0.52 -4.86 116.55 113.09 1ba9 n ASP 125 Ca 0.16 -0.66 -0.26 0.00 -1.51 0.00 0.00 54.79 52.52 1ba9 n ASP 125 Cb 0.35 -0.11 -0.00 0.00 2.34 0.00 0.00 41.12 43.70 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1ba9 n LEU 126 N -1.06 -1.73 0.00 -2.67 4.77 -1.26 -1.37 117.00 113.68 1ba9 n LEU 126 Ca 0.19 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1ba9 n LEU 126 Cb 0.18 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1ba9 n LEU 126 CO 0.20 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1ba9 n GLY 127 N -1.29 0.39 0.25 -0.72 0.00 -1.24 -4.30 105.19 98.28 1ba9 n GLY 127 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 h LYS 128 N 1.04 0.00 0.00 1.61 1.79 -1.52 -2.29 116.57 117.21 1ba9 h LYS 128 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ba9 h LYS 128 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1ba9 h LYS 128 CO 0.00 0.00 0.06 0.78 -1.08 0.00 0.00 179.45 179.21 1ba9 h GLY 129 N 1.85 0.00 -5.25 3.86 0.00 -1.90 -3.46 103.07 98.16 1ba9 h GLY 129 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1ba9 h GLY 129 CO 0.00 0.00 -0.67 0.61 0.00 0.00 0.00 176.54 176.48 1ba9 n GLY 130 N -1.12 -0.29 3.53 4.60 0.00 -0.86 -4.99 105.19 106.06 1ba9 n GLY 130 Ca -0.03 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.04 -0.69 0.19 1.61 2.47 -1.26 -5.02 114.94 108.19 1ba9 s ASN 131 Ca 0.10 1.27 -0.23 0.00 0.42 0.00 0.00 52.86 54.42 1ba9 s ASN 131 Cb -0.04 1.25 0.10 0.00 -1.45 0.00 0.00 41.25 41.11 1ba9 s ASN 131 CO 0.65 -0.22 1.56 -0.33 -3.72 0.00 0.00 177.10 175.04 1ba9 h GLU 132 N 5.67 -0.10 0.00 0.43 4.39 -1.94 0.31 114.58 123.34 1ba9 h GLU 132 Ca -0.29 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1ba9 h GLU 132 Cb 1.18 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1ba9 h GLU 132 CO 0.14 -0.06 0.00 0.94 -1.16 0.00 0.00 179.01 178.86 1ba9 n GLN 133 N -5.41 0.00 -0.31 2.33 0.00 -1.26 -0.15 117.38 112.58 1ba9 n GLN 133 Ca 0.05 0.54 0.02 0.00 -0.00 0.00 0.00 57.00 57.61 1ba9 n GLN 133 Cb 0.35 -1.27 0.08 0.00 0.00 0.00 0.00 30.24 29.40 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 -1.72 -0.42 -0.17 1.69 3.41 -1.09 0.51 113.62 115.84 1ba9 n SER 134 Ca 0.00 1.46 0.03 0.00 -0.26 0.00 0.00 58.87 60.09 1ba9 n SER 134 Cb 0.00 -0.39 0.11 0.00 -0.26 0.00 0.00 64.21 63.67 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 -5.31 0.11 0.00 6.66 -1.04 0.11 0.24 114.28 115.05 1ba9 n THR 135 Ca 0.11 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ba9 n THR 135 Cb 0.38 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 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 -0.27 1.19 -0.00 -2.82 4.81 0.79 -0.41 118.16 121.45 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 0.09 -0.89 -0.01 0.00 0.02 0.00 0.00 35.03 34.23 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 -2.05 0.05 -0.36 3.15 -2.24 0.18 -4.53 114.28 108.48 1ba9 n THR 137 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ba9 n THR 137 Cb 0.39 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 2.60 0.80 2.36 3.38 0.00 0.14 -4.15 105.19 110.31 1ba9 n GLY 138 Ca -0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 0.30 -4.29 0.00 1.61 5.15 -1.26 -0.35 115.26 116.42 1ba9 n ASN 139 Ca 0.00 0.19 0.07 0.00 -0.60 0.00 0.00 54.58 54.24 1ba9 n ASN 139 Cb 0.00 -3.69 0.42 0.00 -0.53 0.00 0.00 39.78 35.98 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 n ALA 140 N -1.50 2.53 -0.61 5.20 0.00 -1.26 -4.77 120.51 120.10 1ba9 n ALA 140 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1ba9 n ALA 140 Cb 0.59 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 0.65 -0.98 3.59 0.00 0.00 -1.26 0.11 105.19 107.30 1ba9 n GLY 141 Ca 0.11 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 1.63 -0.52 1.61 0.15 -1.26 -4.55 113.70 106.77 1ba9 s SER 142 Ca 0.00 1.11 -0.21 0.00 0.70 0.00 0.00 55.95 57.55 1ba9 s SER 142 Cb 0.00 -1.71 0.05 0.00 -1.71 0.00 0.00 66.02 62.65 1ba9 s SER 142 CO 0.00 -3.74 0.71 -0.13 1.20 0.00 0.00 173.24 171.28 1ba9 s ARG 143 N -4.94 3.19 0.36 5.44 0.52 -1.26 -1.21 118.95 121.03 1ba9 s ARG 143 Ca 0.67 -0.70 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 1ba9 s ARG 143 Cb -0.18 -4.08 0.67 0.00 0.52 0.00 0.00 34.95 31.88 1ba9 s ARG 143 CO 0.59 -1.29 1.87 -0.07 0.02 0.00 0.00 175.30 176.42 1ba9 h LEU 144 N 10.05 0.32 -7.23 2.53 -0.00 -1.66 -3.45 115.31 115.87 1ba9 h LEU 144 Ca -0.27 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 57.47 1ba9 h LEU 144 Cb 1.09 -0.08 -0.17 0.00 -0.00 0.00 0.00 40.66 41.49 1ba9 h LEU 144 CO 1.00 0.48 -0.00 0.00 -0.00 0.00 0.00 178.44 179.92 1ba9 s ALA 145 N -4.72 -1.29 0.18 1.53 0.00 -1.24 -4.06 121.76 112.17 1ba9 s ALA 145 Ca -0.06 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1ba9 s ALA 145 Cb 0.15 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 1ba9 s ALA 145 CO 0.75 -0.43 -0.07 0.00 0.00 0.00 0.00 175.76 176.01 1ba9 s GLY 147 N -3.23 -0.04 0.10 0.00 0.00 -0.13 -0.69 107.32 103.33 1ba9 s GLY 147 Ca 0.22 -0.08 0.07 0.00 0.00 0.00 0.00 44.72 44.93 1ba9 s GLY 147 CO 0.04 2.64 -0.19 -1.34 0.00 0.00 0.00 173.10 174.25 1ba9 s VAL 148 N -2.29 1.58 -0.17 1.40 -7.23 -1.26 -0.49 120.40 111.93 1ba9 s VAL 148 Ca 0.22 -1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 58.68 1ba9 s VAL 148 Cb -0.01 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1ba9 s VAL 148 CO 0.02 -0.14 0.38 -0.63 -0.31 0.00 0.00 175.10 174.42 1ba9 s ILE 149 N -1.35 5.23 0.34 -0.62 1.01 -0.06 -4.07 121.20 121.68 1ba9 s ILE 149 Ca 0.06 0.69 0.06 0.00 0.00 0.00 0.00 60.65 61.46 1ba9 s ILE 149 Cb -0.09 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1ba9 s ILE 149 CO 0.04 0.31 0.21 0.61 0.00 0.00 0.00 174.94 176.11 1ba9 n GLY 150 N 3.64 3.12 3.76 6.18 0.00 0.07 -0.68 105.19 121.29 1ba9 n GLY 150 Ca -0.09 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.14 2.90 -1.19 -0.61 -1.09 -1.26 -0.19 121.20 116.62 1ba9 s ILE 151 Ca 0.30 0.89 -0.20 0.00 -2.23 0.00 0.00 60.65 59.41 1ba9 s ILE 151 Cb 0.01 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 1ba9 s ILE 151 CO 0.21 0.21 1.91 0.00 -1.23 0.00 0.00 174.94 176.03 1ba9 n ALA 152 N 1.05 3.11 -1.65 9.38 0.00 -0.95 -4.46 120.51 126.99 1ba9 n ALA 152 Ca 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 49.99 1ba9 n ALA 152 Cb 0.42 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50