#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 s THR 2 N 0.00 1.98 -0.17 0.00 -1.32 -1.26 -5.01 115.64 109.86 1ba9 s THR 2 Ca 0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 1ba9 s THR 2 Cb 0.00 -2.97 0.06 0.00 -1.51 0.00 0.00 72.50 68.08 1ba9 s THR 2 CO 0.00 0.00 0.41 -1.59 -2.21 0.00 0.00 174.62 171.23 1ba9 s LYS 3 N -5.73 0.40 0.37 7.08 0.00 -1.26 -3.61 119.74 116.99 1ba9 s LYS 3 Ca 0.69 0.77 0.08 0.00 0.00 0.00 0.00 55.97 57.51 1ba9 s LYS 3 Cb -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 37.83 37.74 1ba9 s LYS 3 CO 0.52 -0.15 0.34 0.00 0.00 0.00 0.00 175.35 176.06 1ba9 s ALA 4 N 1.30 3.97 -0.01 0.59 0.00 0.45 -0.44 121.76 127.61 1ba9 s ALA 4 Ca -0.09 -1.74 -0.07 0.00 0.00 0.00 0.00 51.96 50.06 1ba9 s ALA 4 Cb -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1ba9 s ALA 4 CO -0.12 -0.10 0.14 0.54 0.00 0.00 0.00 175.76 176.23 1ba9 s VAL 5 N -2.37 0.07 -0.19 0.00 0.11 0.78 -0.46 120.40 118.33 1ba9 s VAL 5 Ca 0.44 -0.56 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 1ba9 s VAL 5 Cb -0.05 -0.40 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 1ba9 s VAL 5 CO 0.27 -0.31 0.02 0.00 -3.33 0.00 0.00 175.10 171.75 1ba9 s ALA 6 N -1.11 1.12 -0.67 1.54 0.00 -0.42 -1.10 121.76 121.12 1ba9 s ALA 6 Ca -0.12 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 50.83 1ba9 s ALA 6 Cb -0.06 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.91 1ba9 s ALA 6 CO 0.01 -1.12 1.17 0.14 0.00 0.00 0.00 175.76 175.97 1ba9 s VAL 7 N 1.80 3.96 0.20 0.00 -7.23 -1.26 -1.12 120.40 116.75 1ba9 s VAL 7 Ca -0.01 0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 60.26 1ba9 s VAL 7 Cb -0.17 -4.79 -0.09 0.00 0.56 0.00 0.00 36.38 31.88 1ba9 s VAL 7 CO -0.08 -1.59 1.42 -0.76 -0.31 0.00 0.00 175.10 173.78 1ba9 s LEU 8 N 5.09 4.39 -0.30 1.32 1.02 0.86 -4.33 118.68 126.73 1ba9 s LEU 8 Ca 0.35 2.52 -0.09 0.00 0.02 0.00 0.00 54.13 56.93 1ba9 s LEU 8 Cb -0.10 -3.61 0.17 0.00 0.02 0.00 0.00 46.19 42.68 1ba9 s LEU 8 CO 0.17 -0.67 0.82 -0.75 0.02 0.00 0.00 176.35 175.95 1ba9 s LYS 9 N 0.21 0.40 0.00 1.70 2.20 0.22 -0.91 119.74 123.56 1ba9 s LYS 9 Ca 0.61 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 1ba9 s LYS 9 Cb -0.40 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1ba9 s LYS 9 CO 0.38 -0.33 0.56 0.41 -0.36 0.00 0.00 175.35 176.00 1ba9 n GLY 10 N 5.36 0.81 1.52 5.54 0.00 -1.25 -4.01 105.19 113.15 1ba9 n GLY 10 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ba9 n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 11 N 0.00 0.19 0.00 1.61 2.03 -1.07 -4.66 116.55 114.66 1ba9 n ASP 11 Ca 0.00 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1ba9 n ASP 11 Cb 0.54 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1ba9 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ba9 n GLY 12 N 2.49 -1.93 0.19 0.27 0.00 -1.26 -4.96 105.19 99.98 1ba9 n GLY 12 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 0.10 -5.37 1.61 0.13 -1.94 -3.41 132.00 123.13 1ba9 h PRO 13 Ca 0.00 -0.05 -0.42 0.00 -0.87 0.00 0.00 66.00 64.67 1ba9 h PRO 13 Cb 0.00 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1ba9 h PRO 13 CO 0.00 0.50 1.52 0.28 -0.23 0.00 0.00 178.00 180.07 1ba9 n VAL 14 N -4.04 -0.05 -4.34 1.56 0.31 -1.25 -4.48 118.33 106.04 1ba9 n VAL 14 Ca -0.02 -0.52 -0.21 0.00 -0.01 0.00 0.00 64.34 63.58 1ba9 n VAL 14 Cb 0.46 -1.89 -0.11 0.00 -0.91 0.00 0.00 33.84 31.39 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 8.50 1.29 -0.16 5.55 -2.07 -0.67 -4.04 119.66 128.04 1ba9 s GLN 15 Ca 1.11 -1.43 -0.06 0.00 -1.82 0.00 0.00 55.36 53.15 1ba9 s GLN 15 Cb -0.52 -1.31 0.07 0.00 -1.09 0.00 0.00 33.01 30.16 1ba9 s GLN 15 CO 0.33 0.26 0.35 0.20 -1.32 0.00 0.00 175.29 175.11 1ba9 s GLY 16 N -2.76 -0.25 -1.05 2.60 0.00 -0.08 -0.01 107.32 105.77 1ba9 s GLY 16 Ca 0.17 1.27 -0.15 0.00 0.00 0.00 0.00 44.72 46.00 1ba9 s GLY 16 CO 0.07 2.08 1.22 -0.42 0.00 0.00 0.00 173.10 176.05 1ba9 s ILE 17 N 2.29 5.03 0.50 0.90 1.09 -0.38 -0.10 121.20 130.53 1ba9 s ILE 17 Ca -0.02 -2.24 -0.19 0.00 -1.10 0.00 0.00 60.65 57.09 1ba9 s ILE 17 Cb -0.11 -4.80 -0.08 0.00 -1.06 0.00 0.00 42.46 36.41 1ba9 s ILE 17 CO -0.11 -1.49 1.04 -0.63 -0.10 0.00 0.00 174.94 173.65 1ba9 s ILE 18 N 1.70 3.84 -0.03 2.92 -1.09 -0.27 -3.00 121.20 125.25 1ba9 s ILE 18 Ca 0.35 1.09 -0.02 0.00 -2.23 0.00 0.00 60.65 59.84 1ba9 s ILE 18 Cb -0.05 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1ba9 s ILE 18 CO -0.05 -0.30 0.08 0.20 -1.23 0.00 0.00 174.94 173.63 1ba9 s ASN 19 N -2.16 -0.06 -0.28 3.58 0.01 0.57 -1.30 114.94 115.32 1ba9 s ASN 19 Ca 0.66 0.16 0.02 0.00 -0.71 0.00 0.00 52.86 52.98 1ba9 s ASN 19 Cb -0.16 0.11 0.08 0.00 0.41 0.00 0.00 41.25 41.69 1ba9 s ASN 19 CO 0.23 -0.07 -0.01 -0.36 -1.51 0.00 0.00 177.10 175.38 1ba9 s PHE 20 N 0.46 2.75 -0.27 2.20 0.08 0.39 -0.54 117.98 123.04 1ba9 s PHE 20 Ca -0.03 -2.14 -0.11 0.00 0.12 0.00 0.00 56.93 54.76 1ba9 s PHE 20 Cb -0.05 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 1ba9 s PHE 20 CO -0.02 -0.85 0.18 -2.00 -0.10 0.00 0.00 175.22 172.44 1ba9 s GLU 21 N 1.27 3.96 -0.93 0.44 2.12 -0.25 -0.41 118.70 124.90 1ba9 s GLU 21 Ca 0.00 -0.32 -0.00 0.00 0.36 0.00 0.00 54.97 55.01 1ba9 s GLU 21 Cb -0.19 -3.63 0.30 0.00 0.26 0.00 0.00 34.13 30.87 1ba9 s GLU 21 CO -0.09 -0.15 1.37 0.94 -0.54 0.00 0.00 175.26 176.79 1ba9 n GLN 22 N 4.95 4.21 -1.40 4.30 0.00 -1.24 -0.84 117.38 127.36 1ba9 n GLN 22 Ca -0.14 -4.64 -0.39 0.00 -0.00 0.00 0.00 57.00 51.82 1ba9 n GLN 22 Cb 0.52 -2.42 -0.02 0.00 0.00 0.00 0.00 30.24 28.32 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1ba9 n LYS 23 N 0.71 3.22 0.00 3.69 0.00 -1.26 -2.76 118.16 121.76 1ba9 n LYS 23 Ca 0.32 -2.27 0.00 0.00 0.00 0.00 0.00 58.31 56.37 1ba9 n LYS 23 Cb 0.34 -2.94 0.00 0.00 0.00 0.00 0.00 35.03 32.42 1ba9 n LYS 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ba9 n GLU 24 N 4.60 0.00 0.00 1.64 -0.58 -1.26 -4.94 120.64 120.10 1ba9 n GLU 24 Ca 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 1ba9 n GLU 24 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 1ba9 n GLU 24 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ba9 n SER 25 N 0.00 0.00 -0.46 1.62 2.88 -1.11 -4.17 113.62 112.37 1ba9 n SER 25 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1ba9 n SER 25 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1ba9 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ba9 n ASN 26 N 3.10 2.40 -0.98 -3.46 3.02 -1.26 -4.64 115.26 113.44 1ba9 n ASN 26 Ca 0.00 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1ba9 n ASN 26 Cb 0.00 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.38 2.37 3.65 7.41 0.00 -1.26 -5.03 105.19 112.71 1ba9 n GLY 27 Ca 0.08 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1ba9 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ba9 s PRO 28 N 0.43 4.10 0.20 1.61 0.04 -1.26 -4.76 135.00 135.37 1ba9 s PRO 28 Ca 0.00 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1ba9 s PRO 28 Cb 0.00 -3.90 -0.08 0.00 0.04 0.00 0.00 34.50 30.56 1ba9 s PRO 28 CO 0.00 -0.90 1.11 0.54 0.04 0.00 0.00 177.00 177.79 1ba9 s VAL 29 N 4.09 3.74 -0.32 -0.36 0.11 0.03 -4.68 120.40 123.00 1ba9 s VAL 29 Ca 0.64 1.55 -0.23 0.00 -2.93 0.00 0.00 61.98 61.02 1ba9 s VAL 29 Cb -0.26 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 1ba9 s VAL 29 CO 0.23 0.29 0.76 -0.54 -3.33 0.00 0.00 175.10 172.51 1ba9 s LYS 30 N -0.63 3.90 -0.46 1.54 3.01 -0.02 -1.11 119.74 125.97 1ba9 s LYS 30 Ca 0.48 0.46 -0.18 0.00 -1.01 0.00 0.00 55.97 55.73 1ba9 s LYS 30 Cb -0.30 -3.75 0.04 0.00 -1.01 0.00 0.00 37.83 32.81 1ba9 s LYS 30 CO 0.37 -0.70 0.51 0.08 0.51 0.00 0.00 175.35 176.12 1ba9 s VAL 31 N 2.93 5.02 0.25 3.17 1.01 0.10 -1.09 120.40 131.79 1ba9 s VAL 31 Ca 0.31 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1ba9 s VAL 31 Cb -0.14 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1ba9 s VAL 31 CO 0.13 -0.60 -0.02 0.26 0.00 0.00 0.00 175.10 174.87 1ba9 s TRP 32 N 2.28 2.69 0.19 5.22 0.51 0.30 -0.67 118.94 129.46 1ba9 s TRP 32 Ca 0.12 -0.22 -0.23 0.00 -2.12 0.00 0.00 56.10 53.66 1ba9 s TRP 32 Cb -0.19 -1.22 0.07 0.00 -0.81 0.00 0.00 33.47 31.32 1ba9 s TRP 32 CO 0.12 0.60 0.97 0.20 -0.51 0.00 0.00 176.95 178.34 1ba9 s GLY 33 N -3.51 -0.05 -0.29 0.98 0.00 -0.53 -0.31 107.32 103.61 1ba9 s GLY 33 Ca 0.30 -0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.94 1ba9 s GLY 33 CO 0.19 0.84 0.63 -0.56 0.00 0.00 0.00 173.10 174.20 1ba9 s SER 34 N -3.12 -1.53 0.75 1.64 0.01 -1.16 -0.38 113.70 109.90 1ba9 s SER 34 Ca 0.16 0.17 -0.11 0.00 1.31 0.00 0.00 55.95 57.48 1ba9 s SER 34 Cb -0.02 1.97 0.04 0.00 0.21 0.00 0.00 66.02 68.22 1ba9 s SER 34 CO 0.04 -0.28 1.08 -0.63 0.41 0.00 0.00 173.24 173.86 1ba9 s ILE 35 N 2.83 3.56 -0.28 1.44 1.01 0.04 -1.25 121.20 128.55 1ba9 s ILE 35 Ca 0.12 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.28 1ba9 s ILE 35 Cb -0.09 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.39 1ba9 s ILE 35 CO -0.26 -0.66 0.40 -0.75 0.00 0.00 0.00 174.94 173.67 1ba9 s LYS 36 N -5.01 0.40 0.00 2.79 2.20 0.99 -3.77 119.74 117.34 1ba9 s LYS 36 Ca 0.60 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 1ba9 s LYS 36 Cb -0.15 -0.34 0.00 0.00 -1.51 0.00 0.00 37.83 35.83 1ba9 s LYS 36 CO 0.55 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1ba9 n GLY 37 N 5.36 0.13 2.78 5.54 0.00 -0.20 -1.68 105.19 117.11 1ba9 n GLY 37 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.67 0.99 7.99 -1.00 -4.50 117.00 115.82 1ba9 n LEU 38 Ca 0.00 -0.93 -0.23 0.00 -0.01 0.00 0.00 56.01 54.84 1ba9 n LEU 38 Cb 0.00 -0.79 -0.07 0.00 -0.11 0.00 0.00 43.42 42.45 1ba9 n LEU 38 CO 0.00 -1.88 -0.31 0.42 -1.51 0.00 0.00 177.39 174.11 1ba9 s THR 39 N -2.60 3.59 0.45 -5.08 -4.23 -1.26 -4.06 115.64 102.44 1ba9 s THR 39 Ca 0.56 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 59.02 1ba9 s THR 39 Cb -0.05 -2.92 -0.11 0.00 1.34 0.00 0.00 72.50 70.76 1ba9 s THR 39 CO 0.43 -0.36 0.67 -1.84 -0.54 0.00 0.00 174.62 172.98 1ba9 n GLU 40 N -0.90 0.76 0.00 3.99 0.00 -1.23 -4.67 120.64 118.59 1ba9 n GLU 40 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.37 1ba9 n GLU 40 Cb 0.59 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 30.33 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 1.62 0.73 3.75 -1.84 0.00 -1.12 -4.91 105.19 103.42 1ba9 n GLY 41 Ca 0.11 -2.32 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 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 4.45 -0.14 0.99 1.02 -1.26 -0.69 118.68 123.06 1ba9 s LEU 42 Ca 0.00 1.42 0.01 0.00 0.02 0.00 0.00 54.13 55.58 1ba9 s LEU 42 Cb 0.00 -3.19 0.02 0.00 0.02 0.00 0.00 46.19 43.03 1ba9 s LEU 42 CO 0.00 0.04 -0.16 -1.00 0.02 0.00 0.00 176.35 175.25 1ba9 s HIS 43 N -0.13 2.25 0.40 0.29 3.76 0.17 -2.11 115.29 119.92 1ba9 s HIS 43 Ca 0.37 -1.21 -0.26 0.00 -0.15 0.00 0.00 55.06 53.81 1ba9 s HIS 43 Cb -0.20 -1.62 -0.09 0.00 1.11 0.00 0.00 32.58 31.78 1ba9 s HIS 43 CO 0.22 -0.63 1.28 0.20 -0.85 0.00 0.00 174.74 174.97 1ba9 s GLY 44 N 1.24 2.92 -0.04 -2.22 0.00 -0.01 -0.80 107.32 108.42 1ba9 s GLY 44 Ca 0.00 1.19 -0.01 0.00 0.00 0.00 0.00 44.72 45.91 1ba9 s GLY 44 CO -0.07 1.77 0.03 -1.36 0.00 0.00 0.00 173.10 173.47 1ba9 s PHE 45 N -1.27 0.17 0.07 1.90 0.08 -0.96 -0.46 117.98 117.52 1ba9 s PHE 45 Ca 0.56 0.13 -0.13 0.00 0.12 0.00 0.00 56.93 57.61 1ba9 s PHE 45 Cb -0.37 -0.44 0.02 0.00 -0.57 0.00 0.00 43.02 41.65 1ba9 s PHE 45 CO 0.48 -0.17 0.29 -1.01 -0.10 0.00 0.00 175.22 174.71 1ba9 s HIS 46 N 1.65 -0.06 -0.59 0.36 3.76 -0.75 -3.50 115.29 116.17 1ba9 s HIS 46 Ca -0.01 -0.19 -0.24 0.00 -0.15 0.00 0.00 55.06 54.47 1ba9 s HIS 46 Cb -0.13 0.08 0.05 0.00 1.11 0.00 0.00 32.58 33.69 1ba9 s HIS 46 CO -0.03 -0.55 0.99 0.08 -0.85 0.00 0.00 174.74 174.39 1ba9 s VAL 47 N -3.09 4.29 0.85 -0.90 1.01 -1.09 -1.20 120.40 120.26 1ba9 s VAL 47 Ca -0.01 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1ba9 s VAL 47 Cb 0.01 -4.62 0.10 0.00 0.00 0.00 0.00 36.38 31.87 1ba9 s VAL 47 CO -0.07 -1.27 1.09 -1.00 0.00 0.00 0.00 175.10 173.85 1ba9 s HIS 48 N 4.20 2.50 0.00 5.22 3.76 0.07 -3.56 115.29 127.49 1ba9 s HIS 48 Ca 0.30 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.49 1ba9 s HIS 48 Cb -0.13 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.44 1ba9 s HIS 48 CO 0.17 -2.12 0.10 -1.91 -0.85 0.00 0.00 174.74 170.14 1ba9 n GLU 49 N -3.70 0.00 -4.34 1.40 0.00 -1.04 -4.00 120.64 108.96 1ba9 n GLU 49 Ca 0.07 0.09 -0.20 0.00 0.00 0.00 0.00 57.16 57.12 1ba9 n GLU 49 Cb 0.55 -0.60 -0.09 0.00 0.00 0.00 0.00 31.44 31.30 1ba9 n GLU 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1ba9 s GLU 50 N -0.20 1.71 -1.53 5.31 0.41 -1.26 -4.46 118.70 118.67 1ba9 s GLU 50 Ca 0.00 -2.00 -0.12 0.00 -0.41 0.00 0.00 54.97 52.44 1ba9 s GLU 50 Cb 0.00 -0.00 -0.02 0.00 -1.78 0.00 0.00 34.13 32.33 1ba9 s GLU 50 CO 0.00 -0.54 2.57 -0.85 -0.49 0.00 0.00 175.26 175.95 1ba9 n GLU 51 N -0.65 3.27 -1.96 1.61 0.28 -1.25 -4.13 120.64 117.81 1ba9 n GLU 51 Ca 0.02 -2.44 -0.41 0.00 -0.16 0.00 0.00 57.16 54.18 1ba9 n GLU 51 Cb 0.64 -3.06 -0.01 0.00 1.43 0.00 0.00 31.44 30.45 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ba9 n ASP 52 N 4.88 6.74 0.31 -1.84 9.92 -1.26 -4.64 116.55 130.66 1ba9 n ASP 52 Ca 0.64 -3.00 0.18 0.00 -0.53 0.00 0.00 54.79 52.08 1ba9 n ASP 52 Cb 0.32 -1.47 1.04 0.00 -0.64 0.00 0.00 41.12 40.37 1ba9 n ASP 52 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1ba9 h ASN 53 N 5.19 0.00 -1.03 -2.24 -0.00 -1.91 -1.72 115.58 113.87 1ba9 h ASN 53 Ca 0.62 0.00 0.27 0.00 -0.00 0.00 0.00 56.30 57.18 1ba9 h ASN 53 Cb 0.44 0.00 -0.12 0.00 -0.00 0.00 0.00 38.32 38.64 1ba9 h ASN 53 CO 1.63 0.00 0.63 0.71 -0.00 0.00 0.00 177.43 180.39 1ba9 h THR 54 N 0.00 0.49 0.00 -3.57 1.35 -1.98 0.29 112.91 109.49 1ba9 h THR 54 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1ba9 h THR 54 Cb 0.00 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.39 1ba9 h THR 54 CO 0.00 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.36 1ba9 n ALA 55 N -2.36 1.72 0.00 6.62 0.00 -0.65 -4.85 120.51 120.98 1ba9 n ALA 55 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ba9 n ALA 55 Cb 0.84 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 0.12 0.94 5.00 0.00 0.00 0.99 -4.67 105.19 107.57 1ba9 n GLY 56 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 3.55 0.04 0.00 -2.24 -1.26 -3.67 114.28 110.69 1ba9 n THR 58 Ca 0.00 -1.97 0.00 0.00 -2.27 0.00 0.00 64.05 59.81 1ba9 n THR 58 Cb 0.00 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 65.95 1ba9 n THR 58 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ba9 n SER 59 N 3.05 -0.66 0.00 3.42 7.64 -1.26 -4.95 113.62 120.86 1ba9 n SER 59 Ca 0.59 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1ba9 n SER 59 Cb 0.57 0.88 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ba9 n ALA 60 N -2.39 0.00 -2.55 -0.43 0.00 -1.24 -4.19 120.51 109.71 1ba9 n ALA 60 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1ba9 n ALA 60 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 1.44 0.00 0.00 0.00 -1.26 -4.91 107.32 102.59 1ba9 s GLY 61 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1ba9 s GLY 61 CO 0.00 -0.68 0.00 -1.55 0.00 0.00 0.00 173.10 170.87 1ba9 n PRO 62 N -1.78 0.00 -1.63 2.90 -0.04 -1.26 -4.47 135.00 128.73 1ba9 n PRO 62 Ca -0.03 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.93 1ba9 n PRO 62 Cb 0.56 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.96 1ba9 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -1.55 1.82 -1.58 0.54 8.25 -1.26 -2.49 115.22 118.95 1ba9 n HIS 63 Ca 0.00 0.49 -0.31 0.00 -0.26 0.00 0.00 57.72 57.64 1ba9 n HIS 63 Cb 0.00 -2.42 0.06 0.00 1.12 0.00 0.00 29.99 28.75 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 0.93 3.04 0.01 4.41 5.36 -1.23 -4.73 117.98 125.76 1ba9 s PHE 64 Ca 0.84 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 58.12 1ba9 s PHE 64 Cb -0.86 -2.96 -0.01 0.00 -0.34 0.00 0.00 43.02 38.85 1ba9 s PHE 64 CO 0.45 -1.39 -0.01 -0.80 -1.46 0.00 0.00 175.22 172.01 1ba9 s ASN 65 N -3.86 0.10 -0.15 6.13 -0.87 -1.26 -4.24 114.94 110.78 1ba9 s ASN 65 Ca 0.59 -0.17 -0.16 0.00 -1.57 0.00 0.00 52.86 51.55 1ba9 s ASN 65 Cb -0.14 0.03 -0.14 0.00 -0.02 0.00 0.00 41.25 40.99 1ba9 s ASN 65 CO 0.55 -0.10 0.26 1.55 -2.57 0.00 0.00 177.10 176.79 1ba9 h PRO 66 N 5.65 0.00 -0.04 -0.60 0.13 -1.94 -3.40 132.00 131.80 1ba9 h PRO 66 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1ba9 h PRO 66 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ba9 h PRO 66 CO 0.48 0.57 -0.20 1.28 -0.23 0.00 0.00 178.00 179.90 1ba9 n LEU 67 N -4.61 2.72 -3.14 1.56 4.77 -1.26 -4.98 117.00 112.06 1ba9 n LEU 67 Ca -0.13 -3.45 -0.22 0.00 -0.03 0.00 0.00 56.01 52.18 1ba9 n LEU 67 Cb 0.37 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1ba9 n LEU 67 CO 0.17 1.01 0.09 -1.20 -1.33 0.00 0.00 177.39 176.13 1ba9 n SER 68 N -1.23 -6.14 -4.75 -1.43 7.64 -1.26 -4.98 113.62 101.47 1ba9 n SER 68 Ca 0.19 -0.37 -0.29 0.00 1.01 0.00 0.00 58.87 59.41 1ba9 n SER 68 Cb 0.70 -4.88 0.13 0.00 -1.01 0.00 0.00 64.21 59.15 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ba9 s ARG 69 N -5.89 1.30 0.83 1.43 0.52 -1.26 -5.05 118.95 110.82 1ba9 s ARG 69 Ca 0.40 0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 56.09 1ba9 s ARG 69 Cb -0.17 -1.83 0.09 0.00 0.52 0.00 0.00 34.95 33.55 1ba9 s ARG 69 CO 0.49 -2.16 1.11 0.15 0.02 0.00 0.00 175.30 174.91 1ba9 s LYS 70 N -5.07 1.85 0.67 3.54 1.02 -1.26 -4.82 119.74 115.67 1ba9 s LYS 70 Ca 0.63 0.55 -0.15 0.00 0.02 0.00 0.00 55.97 57.02 1ba9 s LYS 70 Cb -0.16 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1ba9 s LYS 70 CO 0.56 -1.76 1.13 -1.58 -0.92 0.00 0.00 175.35 172.77 1ba9 s HIS 71 N -3.19 2.52 0.00 3.18 5.65 0.54 -1.84 115.29 122.15 1ba9 s HIS 71 Ca 0.62 1.56 0.00 0.00 0.25 0.00 0.00 55.06 57.49 1ba9 s HIS 71 Cb -0.14 -3.22 0.00 0.00 -1.18 0.00 0.00 32.58 28.04 1ba9 s HIS 71 CO 0.54 -1.85 0.00 0.41 -0.65 0.00 0.00 174.74 173.19 1ba9 n GLY 72 N -0.36 0.82 3.77 1.59 0.00 -1.22 -4.16 105.19 105.62 1ba9 n GLY 72 Ca 0.11 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.86 2.48 0.64 -0.02 0.00 -1.23 -4.58 107.32 103.73 1ba9 s GLY 73 Ca 0.00 -1.64 0.38 0.00 0.00 0.00 0.00 44.72 43.46 1ba9 s GLY 73 CO 0.00 -1.98 2.27 -0.56 0.00 0.00 0.00 173.10 172.83 1ba9 h PRO 74 N 1.29 0.00 -0.00 2.90 0.13 -1.89 0.30 132.00 134.72 1ba9 h PRO 74 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ba9 h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ba9 h PRO 74 CO 0.69 0.00 -0.08 0.36 -0.23 0.00 0.00 178.00 178.74 1ba9 n LYS 75 N -3.36 0.58 -4.27 0.86 2.85 -1.26 -4.91 118.16 108.66 1ba9 n LYS 75 Ca -0.02 -0.14 -0.23 0.00 -1.05 0.00 0.00 58.31 56.87 1ba9 n LYS 75 Cb 0.13 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.94 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 -2.52 4.68 0.14 -5.58 1.01 0.09 -5.04 116.67 109.46 1ba9 s ASP 76 Ca 0.29 -0.58 -0.12 0.00 0.71 0.00 0.00 52.55 52.85 1ba9 s ASP 76 Cb 0.20 -0.93 -0.02 0.00 1.01 0.00 0.00 42.92 43.19 1ba9 s ASP 76 CO 0.47 0.00 1.52 -0.33 0.21 0.00 0.00 175.17 177.05 1ba9 h GLU 77 N 1.89 0.90 -6.30 8.23 5.08 -1.91 -3.42 114.58 119.05 1ba9 h GLU 77 Ca -0.45 -0.39 -0.56 0.00 -1.00 0.00 0.00 59.36 56.96 1ba9 h GLU 77 Cb 1.25 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1ba9 h GLU 77 CO 0.60 1.04 -0.00 -1.21 -1.00 0.00 0.00 179.01 178.44 1ba9 s GLU 78 N -4.65 4.24 0.00 2.33 2.02 -1.26 -5.02 118.70 116.37 1ba9 s GLU 78 Ca -0.12 0.79 0.00 0.00 0.02 0.00 0.00 54.97 55.66 1ba9 s GLU 78 Cb 0.11 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1ba9 s GLU 78 CO 0.85 0.61 0.00 2.89 0.02 0.00 0.00 175.26 179.63 1ba9 n ARG 79 N 1.61 0.00 -0.68 1.61 -4.01 -0.77 -3.46 116.66 110.96 1ba9 n ARG 79 Ca -0.09 0.00 -0.11 0.00 -1.04 0.00 0.00 57.85 56.61 1ba9 n ARG 79 Cb 0.50 0.00 0.08 0.00 -3.04 0.00 0.00 32.46 30.01 1ba9 n ARG 79 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1ba9 n HIS 80 N 0.00 -3.91 0.14 2.89 8.25 -1.24 -4.82 115.22 116.53 1ba9 n HIS 80 Ca 0.00 -0.44 -0.14 0.00 -0.26 0.00 0.00 57.72 56.89 1ba9 n HIS 80 Cb 0.00 -0.40 -0.08 0.00 1.12 0.00 0.00 29.99 30.63 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 -1.38 0.78 -0.88 1.59 3.04 -1.91 -3.22 116.25 114.27 1ba9 h VAL 81 Ca -0.16 -0.51 -0.42 0.00 -1.01 0.00 0.00 66.70 64.59 1ba9 h VAL 81 Cb 0.45 1.07 -0.25 0.00 -2.01 0.00 0.00 31.29 30.55 1ba9 h VAL 81 CO 0.11 0.11 0.54 0.61 -1.01 0.00 0.00 177.57 177.93 1ba9 n GLY 82 N -0.49 4.15 3.08 3.17 0.00 -1.26 -4.80 105.19 109.04 1ba9 n GLY 82 Ca -0.09 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.84 4.60 -2.25 1.61 9.92 -1.22 -2.67 116.55 125.69 1ba9 n ASP 83 Ca 0.52 -2.94 -0.20 0.00 -0.53 0.00 0.00 54.79 51.64 1ba9 n ASP 83 Cb 1.54 -1.63 -0.10 0.00 -0.64 0.00 0.00 41.12 40.30 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 6.14 5.97 0.00 0.64 4.77 -1.23 -3.99 117.00 129.31 1ba9 n LEU 84 Ca 0.46 -3.65 0.00 0.00 -0.03 0.00 0.00 56.01 52.79 1ba9 n LEU 84 Cb 0.41 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1ba9 n LEU 84 CO 0.81 1.68 0.00 0.61 -1.33 0.00 0.00 177.39 179.16 1ba9 n GLY 85 N 1.49 1.12 3.17 -0.72 0.00 -1.26 -4.61 105.19 104.38 1ba9 n GLY 85 Ca 0.45 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.23 0.29 0.50 1.61 2.20 -1.26 -2.26 114.94 113.78 1ba9 s ASN 86 Ca 0.00 -1.16 0.05 0.00 -0.94 0.00 0.00 52.86 50.81 1ba9 s ASN 86 Cb 0.00 0.31 -0.00 0.00 -2.00 0.00 0.00 41.25 39.56 1ba9 s ASN 86 CO 0.00 -0.74 0.24 0.68 -2.94 0.00 0.00 177.10 174.34 1ba9 s VAL 87 N -4.03 1.72 -0.16 3.54 -7.23 0.02 -4.91 120.40 109.35 1ba9 s VAL 87 Ca 0.23 -1.67 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1ba9 s VAL 87 Cb 0.07 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1ba9 s VAL 87 CO 0.01 0.00 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.74 1ba9 s THR 88 N -2.75 1.79 0.28 5.32 2.01 -1.26 -0.66 115.64 120.37 1ba9 s THR 88 Ca 0.29 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 61.24 1ba9 s THR 88 Cb 0.00 -1.64 -0.09 0.00 0.01 0.00 0.00 72.50 70.78 1ba9 s THR 88 CO 0.17 0.49 0.92 0.00 -0.69 0.00 0.00 174.62 175.52 1ba9 s ALA 89 N 1.37 3.28 1.02 7.40 0.00 0.14 -4.33 121.76 130.64 1ba9 s ALA 89 Ca 0.04 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 1ba9 s ALA 89 Cb -0.13 -3.17 0.20 0.00 0.00 0.00 0.00 23.12 20.02 1ba9 s ALA 89 CO -0.11 0.20 1.16 0.34 0.00 0.00 0.00 175.76 177.35 1ba9 s ASP 90 N -1.41 2.57 0.22 0.00 -1.08 0.59 -2.77 116.67 114.79 1ba9 s ASP 90 Ca 0.45 0.74 0.18 0.00 -0.52 0.00 0.00 52.55 53.40 1ba9 s ASP 90 Cb -0.22 -1.12 0.87 0.00 -1.46 0.00 0.00 42.92 40.99 1ba9 s ASP 90 CO 0.27 -3.11 1.55 2.29 0.52 0.00 0.00 175.17 176.68 1ba9 n LYS 91 N -4.10 0.12 0.02 4.34 2.85 -1.26 -0.63 118.16 119.50 1ba9 n LYS 91 Ca 0.10 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.99 1ba9 n LYS 91 Cb 0.59 -1.81 0.20 0.00 -0.65 0.00 0.00 35.03 33.36 1ba9 n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ba9 n ASP 92 N -2.05 0.57 0.00 -5.58 2.03 -1.26 -4.84 116.55 105.42 1ba9 n ASP 92 Ca 0.00 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1ba9 n ASP 92 Cb 0.10 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 1.44 0.79 3.24 0.27 0.00 0.20 -4.74 105.19 106.39 1ba9 n GLY 93 Ca 0.04 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 3.17 -0.40 1.61 1.01 -1.25 -1.04 120.40 121.50 1ba9 s VAL 94 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 1ba9 s VAL 94 Cb 0.00 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.82 1ba9 s VAL 94 CO 0.00 0.21 0.26 0.00 0.00 0.00 0.00 175.10 175.57 1ba9 s ALA 95 N 1.38 3.37 0.33 5.51 0.00 -1.25 -0.30 121.76 130.82 1ba9 s ALA 95 Ca 0.01 -1.81 -0.17 0.00 0.00 0.00 0.00 51.96 49.99 1ba9 s ALA 95 Cb -0.16 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 1ba9 s ALA 95 CO -0.03 -1.48 0.79 -0.51 0.00 0.00 0.00 175.76 174.53 1ba9 s ASP 96 N 1.77 6.86 0.06 0.00 1.01 -1.26 -0.78 116.67 124.33 1ba9 s ASP 96 Ca 0.03 1.40 0.05 0.00 0.71 0.00 0.00 52.55 54.74 1ba9 s ASP 96 Cb -0.20 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1ba9 s ASP 96 CO 0.07 -0.21 -0.13 -0.69 0.21 0.00 0.00 175.17 174.43 1ba9 s VAL 97 N -1.96 1.03 -0.40 -1.27 1.01 0.49 -4.73 120.40 114.56 1ba9 s VAL 97 Ca 0.54 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1ba9 s VAL 97 Cb -0.11 -0.99 0.23 0.00 0.00 0.00 0.00 36.38 35.52 1ba9 s VAL 97 CO 0.17 -0.19 1.02 -1.54 0.00 0.00 0.00 175.10 174.56 1ba9 n SER 98 N 1.46 -2.11 -4.32 3.32 3.41 -1.20 -1.45 113.62 112.74 1ba9 n SER 98 Ca -0.21 -2.06 -0.20 0.00 -0.26 0.00 0.00 58.87 56.15 1ba9 n SER 98 Cb 0.54 1.16 -0.10 0.00 -0.26 0.00 0.00 64.21 65.55 1ba9 n SER 98 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1ba9 s ILE 99 N 0.65 0.78 -0.10 -1.33 2.07 0.15 -5.01 121.20 118.41 1ba9 s ILE 99 Ca 0.27 -2.00 -0.05 0.00 -1.41 0.00 0.00 60.65 57.46 1ba9 s ILE 99 Cb 0.15 -2.65 0.05 0.00 0.13 0.00 0.00 42.46 40.13 1ba9 s ILE 99 CO -0.12 0.00 0.24 -1.83 -1.91 0.00 0.00 174.94 171.32 1ba9 s GLU 100 N -3.92 0.18 0.03 3.50 -1.05 -1.26 0.00 118.70 116.18 1ba9 s GLU 100 Ca 0.36 0.55 0.08 0.00 -0.15 0.00 0.00 54.97 55.81 1ba9 s GLU 100 Cb 0.07 -0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.62 1ba9 s GLU 100 CO 0.15 -0.19 -0.24 -0.51 0.95 0.00 0.00 175.26 175.42 1ba9 s ASP 101 N 1.47 2.85 -0.38 0.83 1.01 -0.27 -4.91 116.67 117.27 1ba9 s ASP 101 Ca -0.07 -0.53 0.06 0.00 0.71 0.00 0.00 52.55 52.72 1ba9 s ASP 101 Cb -0.11 -0.27 0.60 0.00 1.01 0.00 0.00 42.92 44.16 1ba9 s ASP 101 CO -0.08 0.23 1.73 -1.20 0.21 0.00 0.00 175.17 176.06 1ba9 n SER 102 N 1.97 3.21 0.00 0.27 7.64 -1.26 -0.79 113.62 124.65 1ba9 n SER 102 Ca -0.17 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.03 1ba9 n SER 102 Cb 0.52 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.13 0.00 -2.84 0.44 0.31 -1.26 -4.95 118.33 108.90 1ba9 n VAL 103 Ca 0.49 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.42 1ba9 n VAL 103 Cb 1.41 -0.98 -0.05 0.00 -0.91 0.00 0.00 33.84 33.30 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 -1.93 4.41 0.16 2.52 -4.36 -1.26 -4.67 121.20 116.07 1ba9 s ILE 104 Ca 0.00 1.90 0.04 0.00 -0.26 0.00 0.00 60.65 62.33 1ba9 s ILE 104 Cb 0.00 -4.24 -0.01 0.00 1.25 0.00 0.00 42.46 39.45 1ba9 s ILE 104 CO 0.00 0.42 0.13 -0.24 0.24 0.00 0.00 174.94 175.49 1ba9 n SER 105 N 2.19 -0.28 -1.86 4.36 2.88 0.11 -4.36 113.62 116.66 1ba9 n SER 105 Ca -0.02 -2.06 0.07 0.00 -1.33 0.00 0.00 58.87 55.54 1ba9 n SER 105 Cb 0.49 0.80 0.40 0.00 -0.75 0.00 0.00 64.21 65.15 1ba9 n SER 105 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ba9 n LEU 106 N 0.00 5.69 0.00 2.46 4.32 -1.26 -0.40 117.00 127.81 1ba9 n LEU 106 Ca 0.03 -2.94 0.00 0.00 -0.02 0.00 0.00 56.01 53.08 1ba9 n LEU 106 Cb 0.29 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 1ba9 n LEU 106 CO 0.15 0.63 0.00 -1.54 -1.22 0.00 0.00 177.39 175.41 1ba9 n SER 107 N 0.58 0.00 0.00 -1.43 3.41 -1.26 -4.84 113.62 110.08 1ba9 n SER 107 Ca 0.28 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1ba9 n SER 107 Cb 1.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1ba9 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ba9 n GLY 108 N 0.00 2.23 1.91 5.00 0.00 -1.26 -3.01 105.19 110.06 1ba9 n GLY 108 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 109 N 4.28 -3.80 -2.55 1.61 -0.08 -1.26 -4.93 116.55 109.81 1ba9 n ASP 109 Ca 0.00 0.89 -0.16 0.00 -1.51 0.00 0.00 54.79 54.01 1ba9 n ASP 109 Cb 0.00 3.58 -0.08 0.00 2.34 0.00 0.00 41.12 46.96 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1ba9 n HIS 110 N -3.42 0.66 -2.03 -0.67 8.25 -1.25 -4.86 115.22 111.90 1ba9 n HIS 110 Ca 0.00 -1.57 -0.43 0.00 -0.26 0.00 0.00 57.72 55.47 1ba9 n HIS 110 Cb 0.00 -1.53 -0.03 0.00 1.12 0.00 0.00 29.99 29.56 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ba9 s SER 111 N 2.54 6.25 0.52 0.41 0.15 -1.16 -0.71 113.70 121.69 1ba9 s SER 111 Ca 0.49 1.67 0.32 0.00 0.70 0.00 0.00 55.95 59.13 1ba9 s SER 111 Cb 0.19 -2.53 1.19 0.00 -1.71 0.00 0.00 66.02 63.16 1ba9 s SER 111 CO -0.02 -1.36 1.91 0.16 1.20 0.00 0.00 173.24 175.14 1ba9 h ILE 112 N 6.28 0.00 -2.11 6.45 -2.65 -1.05 -3.43 117.51 121.00 1ba9 h ILE 112 Ca -0.35 -0.57 -0.57 0.00 1.03 0.00 0.00 64.86 64.40 1ba9 h ILE 112 Cb 1.17 1.56 0.01 0.00 -2.05 0.00 0.00 36.82 37.51 1ba9 h ILE 112 CO 1.00 0.00 1.36 -0.38 0.03 0.00 0.00 178.15 180.16 1ba9 n ILE 113 N -3.04 0.54 0.00 0.16 2.08 -1.26 -0.54 119.36 117.30 1ba9 n ILE 113 Ca 0.01 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1ba9 n ILE 113 Cb 0.34 -2.38 0.00 0.00 -0.75 0.00 0.00 39.64 36.84 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 5.20 3.07 3.74 7.39 0.00 0.07 -5.02 105.19 119.64 1ba9 n GLY 114 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.66 1.81 -0.33 1.61 1.81 0.30 -3.79 118.95 119.69 1ba9 s ARG 115 Ca 0.00 1.02 -0.11 0.00 -1.72 0.00 0.00 55.73 54.93 1ba9 s ARG 115 Cb 0.00 -1.86 -0.00 0.00 -0.45 0.00 0.00 34.95 32.64 1ba9 s ARG 115 CO 0.00 -1.92 0.18 0.99 -0.68 0.00 0.00 175.30 173.88 1ba9 s THR 116 N -2.91 4.77 -0.24 0.02 2.01 -1.26 -0.86 115.64 117.17 1ba9 s THR 116 Ca 0.62 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 1ba9 s THR 116 Cb -0.18 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1ba9 s THR 116 CO 0.56 -0.00 0.15 -0.22 -0.69 0.00 0.00 174.62 174.43 1ba9 s LEU 117 N 1.63 4.04 0.03 4.42 0.20 0.35 -0.75 118.68 128.61 1ba9 s LEU 117 Ca 0.05 0.07 0.05 0.00 0.69 0.00 0.00 54.13 54.99 1ba9 s LEU 117 Cb -0.17 -2.09 -0.02 0.00 -0.43 0.00 0.00 46.19 43.48 1ba9 s LEU 117 CO 0.07 0.05 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.34 1ba9 s VAL 118 N 1.15 1.22 0.02 1.68 1.01 -0.34 -1.76 120.40 123.38 1ba9 s VAL 118 Ca 0.07 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1ba9 s VAL 118 Cb -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1ba9 s VAL 118 CO 0.05 0.10 0.01 0.54 0.00 0.00 0.00 175.10 175.80 1ba9 s VAL 119 N -0.76 4.19 0.28 2.92 0.11 -0.25 -1.80 120.40 125.10 1ba9 s VAL 119 Ca 0.03 -0.69 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1ba9 s VAL 119 Cb -0.08 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.83 1ba9 s VAL 119 CO 0.01 0.30 0.16 -1.00 -3.33 0.00 0.00 175.10 171.24 1ba9 s HIS 120 N -1.16 2.93 0.01 1.54 3.76 0.40 -1.97 115.29 120.79 1ba9 s HIS 120 Ca 0.22 -0.20 -0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1ba9 s HIS 120 Cb -0.12 -1.45 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 1ba9 s HIS 120 CO 0.13 0.46 1.00 1.49 -0.85 0.00 0.00 174.74 176.98 1ba9 h GLU 121 N 1.54 -0.15 -7.63 1.40 4.22 -0.85 -3.33 114.58 109.78 1ba9 h GLU 121 Ca -0.46 0.01 -0.46 0.00 0.08 0.00 0.00 59.36 58.53 1ba9 h GLU 121 Cb 1.25 0.03 0.12 0.00 0.50 0.00 0.00 28.75 30.65 1ba9 h GLU 121 CO 0.60 -0.10 0.38 0.15 -2.18 0.00 0.00 179.01 177.86 1ba9 s LYS 122 N -3.22 1.45 0.51 1.92 1.02 0.11 -4.39 119.74 117.14 1ba9 s LYS 122 Ca -0.02 -0.21 -0.22 0.00 0.02 0.00 0.00 55.97 55.53 1ba9 s LYS 122 Cb 0.00 -1.96 -0.06 0.00 -0.52 0.00 0.00 37.83 35.30 1ba9 s LYS 122 CO 0.07 -1.87 1.29 0.00 -0.92 0.00 0.00 175.35 173.92 1ba9 s ALA 123 N -3.64 2.89 -0.44 5.17 0.00 -0.90 -0.83 121.76 124.02 1ba9 s ALA 123 Ca 0.67 1.19 -0.28 0.00 0.00 0.00 0.00 51.96 53.53 1ba9 s ALA 123 Cb -0.08 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 1ba9 s ALA 123 CO 0.50 -1.10 1.60 0.34 0.00 0.00 0.00 175.76 177.10 1ba9 s ASP 124 N -1.09 6.01 -0.00 0.00 2.15 -1.26 -3.99 116.67 118.48 1ba9 s ASP 124 Ca 0.68 0.83 0.01 0.00 0.43 0.00 0.00 52.55 54.50 1ba9 s ASP 124 Cb -0.36 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 39.75 1ba9 s ASP 124 CO 0.43 -1.70 1.01 -0.67 -0.17 0.00 0.00 175.17 174.07 1ba9 n ASP 125 N 9.96 0.21 -3.07 -0.34 2.03 0.70 -4.72 116.55 121.33 1ba9 n ASP 125 Ca 0.18 -2.00 -0.16 0.00 0.52 0.00 0.00 54.79 53.34 1ba9 n ASP 125 Cb 0.48 -0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ba9 n LEU 126 N -0.39 -0.77 0.00 -2.67 4.77 -1.26 -0.40 117.00 116.27 1ba9 n LEU 126 Ca 0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1ba9 n LEU 126 Cb 0.04 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 1ba9 n LEU 126 CO 0.01 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1ba9 n GLY 127 N -0.84 0.47 0.04 -0.72 0.00 -1.21 -4.35 105.19 98.59 1ba9 n GLY 127 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.87 0.06 0.12 1.61 2.85 0.46 -3.04 118.16 118.35 1ba9 n LYS 128 Ca 0.00 0.29 0.12 0.00 -1.05 0.00 0.00 58.31 57.67 1ba9 n LYS 128 Cb 0.03 -1.61 0.48 0.00 -0.65 0.00 0.00 35.03 33.28 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 0.06 -1.32 2.41 2.58 0.00 -1.26 -4.88 105.19 102.79 1ba9 n GLY 129 Ca 0.03 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 0.16 0.78 3.33 -0.02 0.00 -1.17 -4.99 105.19 103.28 1ba9 n GLY 130 Ca 0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.57 3.71 0.25 1.61 2.47 -1.26 -5.02 114.94 114.13 1ba9 s ASN 131 Ca 0.00 -0.39 -0.14 0.00 0.42 0.00 0.00 52.86 52.75 1ba9 s ASN 131 Cb 0.00 -1.45 0.31 0.00 -1.45 0.00 0.00 41.25 38.66 1ba9 s ASN 131 CO 0.00 0.18 1.56 -0.33 -3.72 0.00 0.00 177.10 174.79 1ba9 h GLU 132 N 6.56 -0.00 0.00 0.43 5.08 -1.96 0.36 114.58 125.05 1ba9 h GLU 132 Ca -0.26 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 1ba9 h GLU 132 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1ba9 h GLU 132 CO 0.52 -0.00 -0.42 0.37 -1.00 0.00 0.00 179.01 178.48 1ba9 h GLN 133 N -0.00 0.00 0.15 2.33 -0.00 -1.96 0.26 115.11 115.88 1ba9 h GLN 133 Ca 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.03 1ba9 h GLN 133 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.12 1ba9 h GLN 133 CO -0.99 0.42 -0.07 0.66 0.00 0.00 0.00 178.83 178.84 1ba9 h SER 134 N 0.00 -0.17 0.41 -0.69 4.64 -0.89 0.45 113.55 117.30 1ba9 h SER 134 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ba9 h SER 134 Cb 0.79 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1ba9 h SER 134 CO 0.05 -0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 1ba9 n THR 135 N -5.13 0.26 -0.06 2.95 -2.24 0.92 0.07 114.28 111.05 1ba9 n THR 135 Ca -0.09 0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1ba9 n THR 135 Cb 0.14 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ba9 n LYS 136 N -1.27 1.36 0.00 -0.78 4.81 0.78 -0.34 118.16 122.72 1ba9 n LYS 136 Ca 0.11 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1ba9 n LYS 136 Cb 0.18 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 -2.63 0.00 -1.00 3.15 -2.24 0.16 -4.68 114.28 107.03 1ba9 n THR 137 Ca -0.21 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1ba9 n THR 137 Cb 0.81 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 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 0.34 0.64 2.50 3.38 0.00 0.11 -4.07 105.19 108.10 1ba9 n GLY 138 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 1ba9 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ba9 n ASN 139 N 1.46 -5.36 0.00 1.61 2.85 -1.18 -0.22 115.26 114.43 1ba9 n ASN 139 Ca 0.00 0.38 0.13 0.00 -0.11 0.00 0.00 54.58 54.99 1ba9 n ASN 139 Cb 0.14 -4.69 0.69 0.00 1.24 0.00 0.00 39.78 37.16 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ba9 n ALA 140 N 0.53 2.35 -0.49 5.20 0.00 -1.26 -4.81 120.51 122.04 1ba9 n ALA 140 Ca -0.21 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ba9 n ALA 140 Cb 0.66 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.97 -0.78 3.63 0.00 0.00 -1.26 0.09 105.19 107.85 1ba9 n GLY 141 Ca 0.13 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1ba9 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ba9 s SER 142 N -4.00 2.50 -0.84 1.61 0.15 -1.26 -4.54 113.70 107.31 1ba9 s SER 142 Ca 0.00 1.58 -0.16 0.00 0.70 0.00 0.00 55.95 58.07 1ba9 s SER 142 Cb 0.00 -2.24 0.18 0.00 -1.71 0.00 0.00 66.02 62.24 1ba9 s SER 142 CO 0.00 -3.26 0.89 -0.13 1.20 0.00 0.00 173.24 171.94 1ba9 s ARG 143 N -4.74 3.55 0.26 5.44 0.52 -1.26 -0.73 118.95 121.98 1ba9 s ARG 143 Ca 0.66 -2.10 -0.02 0.00 -0.52 0.00 0.00 55.73 53.75 1ba9 s ARG 143 Cb -0.21 -4.60 0.50 0.00 0.52 0.00 0.00 34.95 31.16 1ba9 s ARG 143 CO 0.60 -1.49 1.79 -0.07 0.02 0.00 0.00 175.30 176.14 1ba9 h LEU 144 N 8.96 0.63 -7.45 2.53 -0.00 -1.66 -3.43 115.31 114.88 1ba9 h LEU 144 Ca 0.09 0.07 -0.13 0.00 -0.00 0.00 0.00 57.88 57.91 1ba9 h LEU 144 Cb 1.04 -0.04 -0.22 0.00 -0.00 0.00 0.00 40.66 41.44 1ba9 h LEU 144 CO 0.92 0.30 -0.30 0.00 -0.00 0.00 0.00 178.44 179.36 1ba9 s ALA 145 N -5.98 -0.81 0.10 1.53 0.00 -1.17 -2.58 121.76 112.84 1ba9 s ALA 145 Ca -0.12 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.56 1ba9 s ALA 145 Cb 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1ba9 s ALA 145 CO 0.78 -0.21 -0.20 0.00 0.00 0.00 0.00 175.76 176.13 1ba9 s GLY 147 N -1.91 -0.47 0.01 0.00 0.00 -0.72 -0.61 107.32 103.61 1ba9 s GLY 147 Ca 0.16 1.71 -0.17 0.00 0.00 0.00 0.00 44.72 46.42 1ba9 s GLY 147 CO 0.08 1.46 0.49 0.14 0.00 0.00 0.00 173.10 175.27 1ba9 s VAL 148 N 0.18 4.93 -0.10 1.40 1.01 -1.26 -0.49 120.40 126.07 1ba9 s VAL 148 Ca -0.01 1.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.80 1ba9 s VAL 148 Cb -0.04 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1ba9 s VAL 148 CO 0.02 0.52 0.56 -0.63 0.00 0.00 0.00 175.10 175.57 1ba9 s ILE 149 N -0.78 5.13 0.33 2.22 1.01 -0.04 -4.22 121.20 124.86 1ba9 s ILE 149 Ca 0.27 1.14 -0.03 0.00 0.00 0.00 0.00 60.65 62.03 1ba9 s ILE 149 Cb -0.18 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 1ba9 s ILE 149 CO 0.15 0.29 0.46 -0.83 0.00 0.00 0.00 174.94 175.01 1ba9 s GLY 150 N 0.70 1.43 0.39 6.18 0.00 -0.26 -0.75 107.32 115.00 1ba9 s GLY 150 Ca 0.30 -1.48 -0.27 0.00 0.00 0.00 0.00 44.72 43.27 1ba9 s GLY 150 CO 0.13 -1.00 1.30 -0.42 0.00 0.00 0.00 173.10 173.12 1ba9 s ILE 151 N -3.19 2.65 -1.22 0.90 1.09 -1.26 -0.16 121.20 120.01 1ba9 s ILE 151 Ca 0.30 0.60 -0.05 0.00 -1.10 0.00 0.00 60.65 60.40 1ba9 s ILE 151 Cb -0.00 -3.36 0.20 0.00 -1.06 0.00 0.00 42.46 38.24 1ba9 s ILE 151 CO 0.19 0.10 2.08 0.00 -0.10 0.00 0.00 174.94 177.21 1ba9 n ALA 152 N 0.30 6.25 -1.44 9.38 0.00 0.41 -4.61 120.51 130.81 1ba9 n ALA 152 Ca 0.03 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.14 1ba9 n ALA 152 Cb 0.43 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1ba9 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44