#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja5 h ASN 2 N 0.00 0.00 -1.10 6.12 2.35 -2.11 -3.46 115.58 117.37 2ja5 h ASN 2 Ca 0.00 -0.04 -0.81 0.00 -0.55 0.00 0.00 56.30 54.91 2ja5 h ASN 2 Cb 0.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.40 2ja5 h ASN 2 CO 0.00 0.02 0.38 0.00 -1.65 0.00 0.00 177.43 176.18 2ja5 n ALA 3 N -1.93 -2.33 -0.88 -0.83 0.00 -1.26 -4.91 120.51 108.38 2ja5 n ALA 3 Ca 0.04 0.54 -0.30 0.00 0.00 0.00 0.00 53.44 53.72 2ja5 n ALA 3 Cb 0.47 -1.88 0.25 0.00 0.00 0.00 0.00 19.45 18.29 2ja5 n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ja5 s PRO 4 N 1.38 -1.63 -0.37 0.00 0.04 -1.26 -4.96 135.00 128.20 2ja5 s PRO 4 Ca 0.96 0.03 -0.21 0.00 0.04 0.00 0.00 61.00 61.83 2ja5 s PRO 4 Cb -1.31 -1.54 0.01 0.00 0.04 0.00 0.00 34.50 31.70 2ja5 s PRO 4 CO 0.66 -4.00 0.65 -0.51 0.04 0.00 0.00 177.00 173.83 2ja5 s ASP 5 N -3.64 6.42 0.04 6.66 1.01 -1.26 -4.96 116.67 120.94 2ja5 s ASP 5 Ca 0.70 0.10 -0.07 0.00 0.71 0.00 0.00 52.55 53.99 2ja5 s ASP 5 Cb -0.11 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 2ja5 s ASP 5 CO 0.57 -0.63 0.50 0.54 0.21 0.00 0.00 175.17 176.36 2ja5 n ARG 6 N 6.10 -0.10 0.00 8.23 5.12 -1.26 0.12 116.66 134.86 2ja5 n ARG 6 Ca -0.01 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 2ja5 n ARG 6 Cb 0.48 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 2ja5 n ARG 6 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2ja5 n PHE 7 N -3.62 0.00 1.46 -1.55 1.16 -1.26 -1.25 117.46 112.40 2ja5 n PHE 7 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.69 2ja5 n PHE 7 Cb 0.06 0.00 0.44 0.00 -1.61 0.00 0.00 39.48 38.37 2ja5 n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2ja5 n GLU 8 N -0.46 1.51 0.00 3.97 1.02 0.12 -2.51 120.64 124.29 2ja5 n GLU 8 Ca 0.00 -0.77 0.13 0.00 -0.02 0.00 0.00 57.16 56.50 2ja5 n GLU 8 Cb 0.00 -1.37 0.40 0.00 -0.02 0.00 0.00 31.44 30.45 2ja5 n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ja5 n LEU 9 N -0.01 0.69 0.00 -4.62 4.77 -0.38 -4.55 117.00 112.90 2ja5 n LEU 9 Ca 0.16 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2ja5 n LEU 9 Cb 0.25 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2ja5 n LEU 9 CO 0.12 0.14 0.00 2.22 -1.33 0.00 0.00 177.39 178.54 2ja5 n PHE 10 N -1.02 0.00 -3.24 -1.77 1.16 -1.23 -4.36 117.46 107.00 2ja5 n PHE 10 Ca 0.10 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.25 2ja5 n PHE 10 Cb 0.33 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.12 2ja5 n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2ja5 s LEU 11 N 0.00 4.69 0.90 5.98 2.01 -1.04 -4.94 118.68 126.28 2ja5 s LEU 11 Ca 0.00 -0.51 -0.11 0.00 0.01 0.00 0.00 54.13 53.52 2ja5 s LEU 11 Cb 0.00 -2.52 0.11 0.00 0.01 0.00 0.00 46.19 43.79 2ja5 s LEU 11 CO 0.00 -0.65 1.00 0.18 1.01 0.00 0.00 176.35 177.89 2ja5 n LEU 12 N 5.85 2.77 0.00 1.79 4.32 -1.26 -4.79 117.00 125.68 2ja5 n LEU 12 Ca -0.05 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 2ja5 n LEU 12 Cb 0.48 -1.43 0.00 0.00 -1.62 0.00 0.00 43.42 40.85 2ja5 n LEU 12 CO 0.49 -2.39 0.00 0.61 -1.22 0.00 0.00 177.39 174.88 2ja5 n GLY 13 N 0.59 3.70 3.58 -0.72 0.00 -1.26 -5.03 105.19 106.05 2ja5 n GLY 13 Ca 0.11 -2.14 -0.55 0.00 0.00 0.00 0.00 46.02 43.44 2ja5 n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ja5 n GLU 14 N -0.33 1.11 -2.81 1.61 1.02 -1.26 -3.65 120.64 116.32 2ja5 n GLU 14 Ca 0.00 0.37 -0.02 0.00 -0.02 0.00 0.00 57.16 57.49 2ja5 n GLU 14 Cb 0.00 -2.22 -0.02 0.00 -0.02 0.00 0.00 31.44 29.18 2ja5 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ja5 n GLY 15 N 5.35 -3.26 3.65 0.62 0.00 -1.26 -5.06 105.19 105.22 2ja5 n GLY 15 Ca 0.34 0.85 -0.02 0.00 0.00 0.00 0.00 46.02 47.18 2ja5 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ja5 s GLU 16 N -0.86 0.18 0.20 1.61 2.02 -1.24 -5.18 118.70 115.44 2ja5 s GLU 16 Ca -0.11 0.26 0.08 0.00 0.02 0.00 0.00 54.97 55.21 2ja5 s GLU 16 Cb 0.01 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.26 2ja5 s GLU 16 CO 0.53 -0.03 0.03 -1.12 0.02 0.00 0.00 175.26 174.69 2ja5 s SER 17 N 0.58 4.83 0.35 -0.19 0.01 -1.26 -4.81 113.70 113.22 2ja5 s SER 17 Ca -0.01 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.86 2ja5 s SER 17 Cb -0.04 -1.04 0.65 0.00 0.21 0.00 0.00 66.02 65.80 2ja5 s SER 17 CO -0.12 0.06 2.00 0.11 0.41 0.00 0.00 173.24 175.69 2ja5 h LYS 18 N 2.38 0.78 -6.68 12.44 1.79 -1.90 -3.38 116.57 122.00 2ja5 h LYS 18 Ca -0.47 -0.06 -0.68 0.00 -2.18 0.00 0.00 60.65 57.27 2ja5 h LYS 18 Cb 1.22 -0.17 -0.26 0.00 -1.58 0.00 0.00 32.23 31.44 2ja5 h LYS 18 CO 0.59 0.54 -0.87 -0.51 -1.08 0.00 0.00 179.45 178.11 2ja5 s LEU 19 N -9.64 2.20 -0.19 2.94 1.43 -1.26 -0.82 118.68 113.33 2ja5 s LEU 19 Ca -0.10 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 2ja5 s LEU 19 Cb 0.17 -1.23 0.09 0.00 0.03 0.00 0.00 46.19 45.25 2ja5 s LEU 19 CO 0.76 0.23 0.22 -0.75 0.23 0.00 0.00 176.35 177.04 2ja5 s LYS 20 N -1.39 0.18 -0.40 1.70 2.20 -1.16 -4.98 119.74 115.89 2ja5 s LYS 20 Ca 0.12 0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.89 2ja5 s LYS 20 Cb -0.10 -1.04 0.05 0.00 -1.51 0.00 0.00 37.83 35.23 2ja5 s LYS 20 CO 0.03 -0.60 0.24 0.42 -0.36 0.00 0.00 175.35 175.08 2ja5 s ILE 21 N 2.33 4.55 -0.14 5.43 1.01 -1.26 -0.90 121.20 132.22 2ja5 s ILE 21 Ca 0.06 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 2ja5 s ILE 21 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2ja5 s ILE 21 CO -0.11 -0.34 0.06 -1.81 0.00 0.00 0.00 174.94 172.73 2ja5 s ASP 22 N 1.79 5.64 -0.19 3.58 1.01 -0.34 -4.98 116.67 123.18 2ja5 s ASP 22 Ca 0.02 0.16 -0.29 0.00 0.71 0.00 0.00 52.55 53.16 2ja5 s ASP 22 Cb -0.21 -1.84 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 2ja5 s ASP 22 CO 0.06 0.27 1.29 -2.16 0.21 0.00 0.00 175.17 174.84 2ja5 s PRO 23 N -0.24 4.16 0.11 8.23 0.04 -1.26 -1.64 135.00 144.40 2ja5 s PRO 23 Ca 0.08 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 2ja5 s PRO 23 Cb -0.12 -3.80 -0.06 0.00 0.04 0.00 0.00 34.50 30.55 2ja5 s PRO 23 CO 0.01 -0.80 1.15 0.34 0.04 0.00 0.00 177.00 177.74 2ja5 s ASP 24 N 2.23 7.16 0.00 6.66 -1.08 -1.13 -4.92 116.67 125.59 2ja5 s ASP 24 Ca 0.56 2.05 0.21 0.00 -0.52 0.00 0.00 52.55 54.85 2ja5 s ASP 24 Cb -0.21 -2.59 -0.24 0.00 -1.46 0.00 0.00 42.92 38.41 2ja5 s ASP 24 CO 0.17 -0.36 0.57 0.35 0.52 0.00 0.00 175.17 176.42 2ja5 n THR 25 N 3.19 0.40 -0.05 1.71 -2.24 -1.26 -4.38 114.28 111.65 2ja5 n THR 25 Ca 0.06 -0.57 0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2ja5 n THR 25 Cb 0.46 -0.19 0.67 0.00 -2.10 0.00 0.00 70.33 69.18 2ja5 n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2ja5 h LYS 26 N 0.00 0.00 -2.13 -0.78 1.79 -1.97 -3.42 116.57 110.06 2ja5 h LYS 26 Ca -0.08 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 2ja5 h LYS 26 Cb 1.21 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.65 2ja5 h LYS 26 CO 0.01 0.00 0.08 0.00 -1.08 0.00 0.00 179.45 178.46 2ja5 s ALA 27 N -4.62 -1.65 0.42 3.86 0.00 -1.26 -5.15 121.76 113.37 2ja5 s ALA 27 Ca -0.04 1.73 -0.25 0.00 0.00 0.00 0.00 51.96 53.41 2ja5 s ALA 27 Cb 0.16 -0.86 -0.10 0.00 0.00 0.00 0.00 23.12 22.32 2ja5 s ALA 27 CO 0.57 -0.32 1.13 -0.35 0.00 0.00 0.00 175.76 176.79 2ja5 n PRO 28 N 2.34 1.60 -3.24 0.00 -0.04 -1.26 -4.04 135.00 130.36 2ja5 n PRO 28 Ca -0.15 0.57 -0.21 0.00 -0.04 0.00 0.00 63.50 63.67 2ja5 n PRO 28 Cb 0.56 -2.20 0.02 0.00 -0.04 0.00 0.00 33.50 31.84 2ja5 n PRO 28 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ja5 n ASN 29 N 0.32 -6.46 -3.56 3.54 2.85 -1.26 -4.90 115.26 105.79 2ja5 n ASN 29 Ca 0.08 0.25 -0.10 0.00 -0.11 0.00 0.00 54.58 54.70 2ja5 n ASN 29 Cb 0.39 -2.75 -0.04 0.00 1.24 0.00 0.00 39.78 38.62 2ja5 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ja5 s ALA 30 N -1.63 -1.91 0.19 5.20 0.00 -1.26 -3.47 121.76 118.88 2ja5 s ALA 30 Ca 0.25 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.68 2ja5 s ALA 30 Cb -0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2ja5 s ALA 30 CO 0.67 -0.40 0.06 0.08 0.00 0.00 0.00 175.76 176.17 2ja5 s VAL 31 N -1.57 0.40 -0.20 0.00 1.01 0.12 -2.84 120.40 117.31 2ja5 s VAL 31 Ca -0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 61.98 59.98 2ja5 s VAL 31 Cb -0.01 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 34.12 2ja5 s VAL 31 CO -0.01 -0.26 0.02 -0.69 0.00 0.00 0.00 175.10 174.16 2ja5 s VAL 32 N -3.86 0.70 -0.24 2.92 1.01 -0.65 -0.80 120.40 119.47 2ja5 s VAL 32 Ca 0.30 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2ja5 s VAL 32 Cb 0.07 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2ja5 s VAL 32 CO 0.07 -0.18 0.04 -0.63 0.00 0.00 0.00 175.10 174.40 2ja5 s ILE 33 N 1.78 4.02 -0.54 2.22 1.01 0.16 -1.20 121.20 128.66 2ja5 s ILE 33 Ca -0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 2ja5 s ILE 33 Cb -0.17 -2.87 0.08 0.00 0.01 0.00 0.00 42.46 39.50 2ja5 s ILE 33 CO -0.08 0.37 0.65 -0.89 0.00 0.00 0.00 174.94 174.99 2ja5 s THR 34 N 1.57 4.86 -0.11 2.92 2.01 -0.08 -0.41 115.64 126.39 2ja5 s THR 34 Ca 0.06 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 2ja5 s THR 34 Cb -0.15 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.98 2ja5 s THR 34 CO 0.02 -0.92 0.91 -0.36 -0.69 0.00 0.00 174.62 173.57 2ja5 s PHE 35 N 2.64 3.50 0.15 4.92 0.40 0.37 -3.00 117.98 126.96 2ja5 s PHE 35 Ca 0.14 1.45 -0.01 0.00 -0.60 0.00 0.00 56.93 57.91 2ja5 s PHE 35 Cb -0.21 -3.08 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 2ja5 s PHE 35 CO 0.10 -0.17 0.33 -1.21 0.70 0.00 0.00 175.22 174.96 2ja5 s GLU 36 N 1.81 3.50 -1.28 0.44 0.41 -0.00 -1.67 118.70 121.91 2ja5 s GLU 36 Ca 0.44 -0.37 -0.27 0.00 -0.41 0.00 0.00 54.97 54.36 2ja5 s GLU 36 Cb -0.18 -2.91 0.03 0.00 -1.78 0.00 0.00 34.13 29.30 2ja5 s GLU 36 CO 0.17 0.48 0.56 1.63 -0.49 0.00 0.00 175.26 177.62 2ja5 n LYS 37 N -0.30 -0.49 -3.75 1.61 4.76 -1.04 -4.81 118.16 114.15 2ja5 n LYS 37 Ca -0.05 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.37 2ja5 n LYS 37 Cb 0.53 -2.84 -0.02 0.00 -1.84 0.00 0.00 35.03 30.86 2ja5 n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2ja5 n GLU 38 N -4.92 0.70 -0.73 1.97 -0.58 -1.25 -4.62 120.64 111.21 2ja5 n GLU 38 Ca -0.15 -2.50 0.00 0.00 -0.42 0.00 0.00 57.16 54.09 2ja5 n GLU 38 Cb 0.59 2.49 0.00 0.00 -0.57 0.00 0.00 31.44 33.95 2ja5 n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ja5 n ASP 39 N -1.64 0.00 -0.21 1.62 5.75 -1.26 -0.63 116.55 120.18 2ja5 n ASP 39 Ca -0.01 -0.48 -0.05 0.00 -0.01 0.00 0.00 54.79 54.24 2ja5 n ASP 39 Cb 0.54 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.58 2ja5 n ASP 39 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2ja5 n HIS 40 N 0.00 -0.22 -0.04 2.11 8.25 -1.26 -0.52 115.22 123.54 2ja5 n HIS 40 Ca 0.00 0.62 -0.01 0.00 -0.26 0.00 0.00 57.72 58.07 2ja5 n HIS 40 Cb 0.00 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 30.57 2ja5 n HIS 40 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2ja5 n THR 41 N -4.11 -0.06 0.90 1.59 -1.04 -1.26 0.25 114.28 110.55 2ja5 n THR 41 Ca 0.01 0.26 0.10 0.00 -2.04 0.00 0.00 64.05 62.38 2ja5 n THR 41 Cb 0.13 -0.34 -0.02 0.00 -1.82 0.00 0.00 70.33 68.28 2ja5 n THR 41 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2ja5 n LEU 42 N -4.15 1.75 -0.05 -4.42 0.00 -0.68 -4.30 117.00 105.14 2ja5 n LEU 42 Ca 0.01 -0.72 -0.20 0.00 0.00 0.00 0.00 56.01 55.09 2ja5 n LEU 42 Cb 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.33 2ja5 n LEU 42 CO -0.02 0.34 -0.30 1.23 0.00 0.00 0.00 177.39 178.64 2ja5 h GLY 43 N 4.39 0.11 1.00 -3.96 0.00 0.59 -3.15 103.07 102.05 2ja5 h GLY 43 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.05 2ja5 h GLY 43 CO 0.00 0.25 0.36 -0.57 0.00 0.00 0.00 176.54 176.58 2ja5 h ASN 44 N -0.71 0.62 0.45 0.19 -1.24 -1.36 -1.85 115.58 111.69 2ja5 h ASN 44 Ca -0.26 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.72 2ja5 h ASN 44 Cb 1.43 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2ja5 h ASN 44 CO -0.06 0.45 -0.31 0.25 -1.29 0.00 0.00 177.43 176.47 2ja5 h LEU 45 N 0.73 -0.81 0.00 0.34 5.85 -1.75 0.14 115.31 119.81 2ja5 h LEU 45 Ca 0.20 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2ja5 h LEU 45 Cb -0.08 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2ja5 h LEU 45 CO -0.04 -0.48 0.00 -0.38 -0.34 0.00 0.00 178.44 177.20 2ja5 n ILE 46 N -5.44 1.05 -0.11 4.05 5.41 -1.15 -2.16 119.36 121.01 2ja5 n ILE 46 Ca -0.11 0.26 -0.24 0.00 1.00 0.00 0.00 62.75 63.67 2ja5 n ILE 46 Cb 0.34 -1.15 -0.11 0.00 -0.71 0.00 0.00 39.64 38.00 2ja5 n ILE 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2ja5 n ARG 47 N -1.34 0.63 0.20 0.38 0.00 -0.29 -3.67 116.66 112.57 2ja5 n ARG 47 Ca 0.03 0.31 -0.14 0.00 -0.00 0.00 0.00 57.85 58.04 2ja5 n ARG 47 Cb 0.06 -1.59 -0.08 0.00 0.00 0.00 0.00 32.46 30.85 2ja5 n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ja5 h ALA 48 N -0.46 -0.52 -0.34 5.13 0.00 -0.50 -2.63 119.26 119.93 2ja5 h ALA 48 Ca -0.55 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.28 2ja5 h ALA 48 Cb 1.69 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2ja5 h ALA 48 CO -0.21 -0.65 0.25 0.93 0.00 0.00 0.00 179.25 179.57 2ja5 h GLU 49 N -0.81 0.00 0.00 0.00 4.39 -1.67 0.71 114.58 117.20 2ja5 h GLU 49 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2ja5 h GLU 49 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2ja5 h GLU 49 CO 0.09 0.00 0.00 1.25 -1.16 0.00 0.00 179.01 179.19 2ja5 h LEU 50 N 0.00 0.00 -0.54 1.33 6.46 -1.59 -2.74 115.31 118.23 2ja5 h LEU 50 Ca 0.16 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2ja5 h LEU 50 Cb 0.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2ja5 h LEU 50 CO -0.00 0.00 -0.07 -0.11 -0.62 0.00 0.00 178.44 177.63 2ja5 n LEU 51 N -2.43 0.92 -0.08 2.25 7.94 0.25 -3.91 117.00 121.93 2ja5 n LEU 51 Ca 0.03 -0.25 -0.17 0.00 -1.11 0.00 0.00 56.01 54.51 2ja5 n LEU 51 Cb 0.32 -0.07 -0.11 0.00 0.53 0.00 0.00 43.42 44.09 2ja5 n LEU 51 CO 0.25 0.16 -0.06 0.78 -1.11 0.00 0.00 177.39 177.41 2ja5 h ASN 52 N 1.32 0.00 -0.01 1.96 2.35 -1.49 -3.44 115.58 116.28 2ja5 h ASN 52 Ca 0.00 -0.70 -0.47 0.00 -0.55 0.00 0.00 56.30 54.58 2ja5 h ASN 52 Cb 0.39 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.66 2ja5 h ASN 52 CO 0.00 1.19 1.82 -0.67 -1.65 0.00 0.00 177.43 178.12 2ja5 n ASP 53 N -4.54 -0.12 0.30 5.81 -0.08 -1.25 -4.63 116.55 112.03 2ja5 n ASP 53 Ca -0.19 -0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.23 2ja5 n ASP 53 Cb 0.54 -0.83 0.70 0.00 2.34 0.00 0.00 41.12 43.87 2ja5 n ASP 53 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2ja5 h ARG 54 N 11.80 0.00 0.00 -0.67 2.47 -1.92 0.99 114.38 127.05 2ja5 h ARG 54 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2ja5 h ARG 54 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2ja5 h ARG 54 CO 1.45 0.00 0.00 0.87 0.56 0.00 0.00 179.97 182.85 2ja5 h LYS 55 N 0.00 0.00 -6.12 0.04 1.79 -1.97 -3.43 116.57 106.89 2ja5 h LYS 55 Ca 0.03 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.90 2ja5 h LYS 55 Cb 0.92 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.47 2ja5 h LYS 55 CO -0.00 0.00 0.57 0.08 -1.08 0.00 0.00 179.45 179.02 2ja5 s VAL 56 N -3.41 4.50 0.21 0.50 1.01 0.34 -1.60 120.40 121.95 2ja5 s VAL 56 Ca 0.05 0.76 0.21 0.00 0.00 0.00 0.00 61.98 63.00 2ja5 s VAL 56 Cb 0.08 -4.42 0.18 0.00 0.00 0.00 0.00 36.38 32.23 2ja5 s VAL 56 CO 0.56 -0.80 1.82 -0.07 0.00 0.00 0.00 175.10 176.61 2ja5 h LEU 57 N 10.49 0.00 -7.00 3.92 3.38 -0.12 -3.46 115.31 122.52 2ja5 h LEU 57 Ca -0.24 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.79 2ja5 h LEU 57 Cb 1.08 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.58 2ja5 h LEU 57 CO 1.02 0.29 0.47 0.12 0.09 0.00 0.00 178.44 180.43 2ja5 s PHE 58 N -3.76 -0.45 -0.29 1.13 5.36 -0.90 -4.95 117.98 114.12 2ja5 s PHE 58 Ca -0.00 0.96 -0.15 0.00 -0.96 0.00 0.00 56.93 56.77 2ja5 s PHE 58 Cb 0.11 0.40 0.13 0.00 -0.34 0.00 0.00 43.02 43.32 2ja5 s PHE 58 CO 0.66 -0.30 0.89 0.00 -1.46 0.00 0.00 175.22 175.01 2ja5 s ALA 59 N -0.41 -2.24 0.17 11.12 0.00 -1.25 -0.15 121.76 129.01 2ja5 s ALA 59 Ca 0.00 2.24 -0.16 0.00 0.00 0.00 0.00 51.96 54.04 2ja5 s ALA 59 Cb -0.03 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.42 2ja5 s ALA 59 CO -0.02 -0.48 0.47 0.00 0.00 0.00 0.00 175.76 175.73 2ja5 s ALA 60 N 1.67 -0.86 0.35 0.00 0.00 -1.10 -4.97 121.76 116.85 2ja5 s ALA 60 Ca -0.08 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.70 2ja5 s ALA 60 Cb -0.05 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 2ja5 s ALA 60 CO -0.17 -0.75 0.36 1.52 0.00 0.00 0.00 175.76 176.72 2ja5 s TYR 61 N -3.86 1.59 -0.26 0.00 -0.00 -1.26 -0.89 117.35 112.66 2ja5 s TYR 61 Ca 0.08 -1.58 -0.28 0.00 -0.00 0.00 0.00 57.07 55.29 2ja5 s TYR 61 Cb 0.00 -0.52 0.17 0.00 -0.00 0.00 0.00 41.96 41.61 2ja5 s TYR 61 CO -0.05 -0.98 1.27 -1.59 -0.00 0.00 0.00 175.55 174.20 2ja5 s LYS 62 N -3.23 0.21 -0.40 -3.49 -2.85 -0.74 -4.98 119.74 104.27 2ja5 s LYS 62 Ca 0.38 0.11 -0.19 0.00 -1.00 0.00 0.00 55.97 55.26 2ja5 s LYS 62 Cb 0.01 0.10 0.01 0.00 -2.06 0.00 0.00 37.83 35.89 2ja5 s LYS 62 CO 0.27 -0.05 0.57 0.14 0.10 0.00 0.00 175.35 176.37 2ja5 s VAL 63 N -0.67 4.94 0.20 1.79 -7.23 -1.26 -2.00 120.40 116.17 2ja5 s VAL 63 Ca 0.06 0.18 -0.16 0.00 -1.81 0.00 0.00 61.98 60.24 2ja5 s VAL 63 Cb -0.02 -4.08 0.19 0.00 0.56 0.00 0.00 36.38 33.03 2ja5 s VAL 63 CO -0.08 -0.41 1.61 -0.33 -0.31 0.00 0.00 175.10 175.59 2ja5 h GLU 64 N 8.66 -0.07 -1.98 4.82 4.39 -1.91 -3.42 114.58 125.06 2ja5 h GLU 64 Ca -0.26 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.46 2ja5 h GLU 64 Cb 1.11 0.02 -0.21 0.00 -0.10 0.00 0.00 28.75 29.56 2ja5 h GLU 64 CO 0.83 -0.05 0.05 -1.58 -1.16 0.00 0.00 179.01 177.10 2ja5 s HIS 65 N -6.14 -1.02 0.35 4.33 5.04 -1.26 -5.07 115.29 111.52 2ja5 s HIS 65 Ca -0.14 2.08 0.22 0.00 -1.54 0.00 0.00 55.06 55.67 2ja5 s HIS 65 Cb 0.18 0.58 1.23 0.00 0.04 0.00 0.00 32.58 34.62 2ja5 s HIS 65 CO 0.72 -0.50 1.38 -0.35 -2.34 0.00 0.00 174.74 173.65 2ja5 n PRO 66 N 4.09 -0.05 0.34 2.88 -0.04 -1.26 -1.17 135.00 139.79 2ja5 n PRO 66 Ca -0.19 1.17 0.22 0.00 -0.04 0.00 0.00 63.50 64.66 2ja5 n PRO 66 Cb 0.58 -2.18 1.17 0.00 -0.04 0.00 0.00 33.50 33.04 2ja5 n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2ja5 h PHE 67 N 0.00 0.00 -3.94 0.54 0.05 -1.99 -3.42 116.94 108.18 2ja5 h PHE 67 Ca 0.76 0.00 -0.69 0.00 3.82 0.00 0.00 57.97 61.86 2ja5 h PHE 67 Cb 2.17 0.00 -0.32 0.00 2.00 0.00 0.00 35.95 39.81 2ja5 h PHE 67 CO -0.01 0.00 -0.88 -0.06 -0.18 0.00 0.00 178.31 177.18 2ja5 s PHE 68 N -4.14 2.43 -0.37 -0.55 2.99 -0.32 -5.08 117.98 112.94 2ja5 s PHE 68 Ca -0.05 -0.75 -0.28 0.00 0.00 0.00 0.00 56.93 55.85 2ja5 s PHE 68 Cb 0.12 -1.60 0.02 0.00 0.00 0.00 0.00 43.02 41.57 2ja5 s PHE 68 CO 0.39 -0.24 1.02 0.00 -0.00 0.00 0.00 175.22 176.39 2ja5 s ALA 69 N -0.10 3.38 0.00 5.36 0.00 -1.26 -4.76 121.76 124.38 2ja5 s ALA 69 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2ja5 s ALA 69 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2ja5 s ALA 69 CO 0.04 -1.70 0.00 2.89 0.00 0.00 0.00 175.76 176.99 2ja5 n ARG 70 N 7.03 0.00 -3.60 0.00 1.85 0.19 -2.51 116.66 119.63 2ja5 n ARG 70 Ca 0.10 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.83 2ja5 n ARG 70 Cb 0.48 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.84 2ja5 n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2ja5 s PHE 71 N -2.00 -0.31 -0.17 2.89 -0.12 -0.67 -4.25 117.98 113.34 2ja5 s PHE 71 Ca 0.00 0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.99 2ja5 s PHE 71 Cb 0.00 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 2ja5 s PHE 71 CO 0.00 -0.68 -0.02 0.15 -0.05 0.00 0.00 175.22 174.62 2ja5 s LYS 72 N -3.22 3.67 -0.15 1.99 1.02 -0.85 -0.48 119.74 121.72 2ja5 s LYS 72 Ca -0.01 -0.51 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 2ja5 s LYS 72 Cb 0.00 -2.99 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2ja5 s LYS 72 CO -0.08 0.16 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.29 2ja5 s LEU 73 N 0.58 3.12 -0.17 3.17 2.96 0.45 -1.80 118.68 126.99 2ja5 s LEU 73 Ca -0.02 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 2ja5 s LEU 73 Cb -0.14 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 2ja5 s LEU 73 CO 0.02 0.16 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.55 2ja5 s ARG 74 N 0.41 3.49 -0.09 1.98 3.52 -0.07 0.37 118.95 128.55 2ja5 s ARG 74 Ca -0.05 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 2ja5 s ARG 74 Cb -0.15 -2.88 0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2ja5 s ARG 74 CO 0.03 0.06 -0.15 0.42 -0.81 0.00 0.00 175.30 174.86 2ja5 s ILE 75 N 0.80 1.38 -0.02 4.11 1.01 0.02 -2.70 121.20 125.79 2ja5 s ILE 75 Ca -0.02 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.10 2ja5 s ILE 75 Cb -0.15 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2ja5 s ILE 75 CO 0.02 0.41 -0.22 -1.58 0.00 0.00 0.00 174.94 173.57 2ja5 s GLN 76 N 0.79 1.79 0.31 2.79 0.74 0.79 0.10 119.66 126.96 2ja5 s GLN 76 Ca -0.11 -0.79 0.05 0.00 0.05 0.00 0.00 55.36 54.56 2ja5 s GLN 76 Cb -0.16 -1.73 -0.03 0.00 1.10 0.00 0.00 33.01 32.20 2ja5 s GLN 76 CO 0.02 0.47 0.22 0.95 -0.55 0.00 0.00 175.29 176.40 2ja5 s THR 77 N -0.52 0.09 0.08 -0.34 -4.23 -1.23 0.60 115.64 110.09 2ja5 s THR 77 Ca 0.08 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.29 2ja5 s THR 77 Cb -0.08 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 2ja5 s THR 77 CO -0.01 0.00 1.23 -0.89 -0.54 0.00 0.00 174.62 174.41 2ja5 s THR 78 N -3.60 3.89 0.27 3.99 2.01 -0.63 -4.72 115.64 116.85 2ja5 s THR 78 Ca 0.38 1.36 -0.26 0.00 0.31 0.00 0.00 61.69 63.48 2ja5 s THR 78 Cb 0.04 -3.87 -0.16 0.00 0.01 0.00 0.00 72.50 68.51 2ja5 s THR 78 CO 0.22 0.11 0.50 1.21 -0.69 0.00 0.00 174.62 175.97 2ja5 n GLU 79 N 3.86 0.20 -0.87 4.92 2.13 -1.26 -2.27 120.64 127.35 2ja5 n GLU 79 Ca 0.09 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2ja5 n GLU 79 Cb 0.46 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.03 2ja5 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ja5 n GLY 80 N 1.95 0.64 2.77 8.31 0.00 -1.26 -5.00 105.19 112.59 2ja5 n GLY 80 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2ja5 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ja5 s TYR 81 N -2.35 1.58 0.04 1.61 6.04 -0.96 -5.11 117.35 118.20 2ja5 s TYR 81 Ca 0.00 -1.44 -0.31 0.00 0.04 0.00 0.00 57.07 55.36 2ja5 s TYR 81 Cb 0.00 -1.46 -0.07 0.00 -1.04 0.00 0.00 41.96 39.39 2ja5 s TYR 81 CO 0.00 -0.77 1.51 0.34 -1.54 0.00 0.00 175.55 175.09 2ja5 s ASP 82 N 1.66 6.73 0.44 4.32 -1.08 -1.26 -4.60 116.67 122.89 2ja5 s ASP 82 Ca 0.04 2.30 0.10 0.00 -0.52 0.00 0.00 52.55 54.47 2ja5 s ASP 82 Cb -0.17 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.71 2ja5 s ASP 82 CO -0.16 -0.79 2.09 1.55 0.52 0.00 0.00 175.17 178.37 2ja5 h PRO 83 N 7.95 0.37 -0.68 4.34 0.13 -1.95 -0.75 132.00 141.41 2ja5 h PRO 83 Ca -0.40 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.82 2ja5 h PRO 83 Cb 1.19 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.15 2ja5 h PRO 83 CO 0.91 0.25 0.27 0.87 -0.23 0.00 0.00 178.00 180.07 2ja5 h LYS 84 N 0.39 0.43 -0.30 0.86 1.57 -1.96 0.74 116.57 118.29 2ja5 h LYS 84 Ca 0.11 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2ja5 h LYS 84 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2ja5 h LYS 84 CO -0.02 0.28 0.17 -0.44 -0.57 0.00 0.00 179.45 178.88 2ja5 h ASP 85 N 0.44 0.28 -0.83 0.86 3.32 -1.53 -1.45 116.42 117.52 2ja5 h ASP 85 Ca 0.36 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.52 2ja5 h ASP 85 Cb 0.48 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.89 2ja5 h ASP 85 CO -0.35 0.21 0.45 0.00 -1.72 0.00 0.00 179.24 177.83 2ja5 h ALA 86 N 1.14 1.20 0.14 3.45 0.00 -0.07 -0.32 119.26 124.80 2ja5 h ALA 86 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ja5 h ALA 86 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ja5 h ALA 86 CO -0.06 0.02 -0.14 1.25 0.00 0.00 0.00 179.25 180.32 2ja5 h LEU 87 N 0.72 -0.38 0.00 0.00 5.85 0.11 -1.18 115.31 120.43 2ja5 h LEU 87 Ca 0.42 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.18 2ja5 h LEU 87 Cb 0.47 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2ja5 h LEU 87 CO -0.29 -0.22 0.00 0.29 -0.34 0.00 0.00 178.44 177.88 2ja5 n LYS 88 N -5.27 0.00 -0.17 1.25 5.02 -0.18 -1.50 118.16 117.32 2ja5 n LYS 88 Ca -0.08 0.58 -0.04 0.00 -2.02 0.00 0.00 58.31 56.75 2ja5 n LYS 88 Cb 0.19 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 2ja5 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ja5 n ASN 89 N -1.52 -0.42 -0.32 4.39 3.02 -0.88 0.12 115.26 119.65 2ja5 n ASN 89 Ca 0.00 1.26 0.27 0.00 -0.03 0.00 0.00 54.58 56.08 2ja5 n ASN 89 Cb 0.00 -0.36 0.45 0.00 -0.61 0.00 0.00 39.78 39.26 2ja5 n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ja5 n ALA 90 N -3.09 0.92 -0.06 5.41 0.00 -0.45 0.18 120.51 123.42 2ja5 n ALA 90 Ca 0.01 0.57 -0.17 0.00 0.00 0.00 0.00 53.44 53.85 2ja5 n ALA 90 Cb 0.10 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 2ja5 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja5 h ASN 92 N -0.89 -0.47 -0.57 0.00 2.35 0.33 0.37 115.58 116.70 2ja5 h ASN 92 Ca -0.12 0.17 0.11 0.00 -0.55 0.00 0.00 56.30 55.91 2ja5 h ASN 92 Cb 1.19 0.33 -0.11 0.00 0.05 0.00 0.00 38.32 39.79 2ja5 h ASN 92 CO -0.03 -0.17 -0.21 -1.28 -1.65 0.00 0.00 177.43 174.08 2ja5 h SER 93 N 0.03 -0.76 -0.18 5.81 0.87 -0.44 0.41 113.55 119.29 2ja5 h SER 93 Ca 0.29 0.19 0.03 0.00 -1.23 0.00 0.00 61.79 61.07 2ja5 h SER 93 Cb 0.45 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 2ja5 h SER 93 CO -0.58 -0.24 -0.01 0.40 -0.53 0.00 0.00 176.83 175.87 2ja5 h ILE 94 N -0.07 0.86 0.66 2.23 2.04 -0.34 0.61 117.51 123.50 2ja5 h ILE 94 Ca 0.26 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 2ja5 h ILE 94 Cb 0.48 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2ja5 h ILE 94 CO -0.62 0.01 -0.48 0.40 0.00 0.00 0.00 178.15 177.46 2ja5 h ILE 95 N 0.05 0.00 -0.92 -0.67 2.04 0.76 -1.54 117.51 117.23 2ja5 h ILE 95 Ca 0.09 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.20 2ja5 h ILE 95 Cb 0.11 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.03 2ja5 h ILE 95 CO -0.15 0.00 0.15 0.78 0.00 0.00 0.00 178.15 178.92 2ja5 h ASN 96 N -1.09 -0.21 -0.09 1.72 2.35 0.06 0.58 115.58 118.90 2ja5 h ASN 96 Ca -0.09 0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2ja5 h ASN 96 Cb 0.89 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 2ja5 h ASN 96 CO 0.04 -0.26 0.04 0.11 -1.65 0.00 0.00 177.43 175.71 2ja5 h LYS 97 N 0.10 0.14 -0.25 0.81 1.57 -0.53 -2.36 116.57 116.05 2ja5 h LYS 97 Ca 0.58 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.36 2ja5 h LYS 97 Cb 1.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 2ja5 h LYS 97 CO -0.77 0.24 0.10 -0.07 -0.57 0.00 0.00 179.45 178.37 2ja5 h LEU 98 N 0.01 0.12 -0.93 2.94 3.38 0.56 0.40 115.31 121.79 2ja5 h LEU 98 Ca 0.03 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.28 2ja5 h LEU 98 Cb 0.15 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.76 2ja5 h LEU 98 CO -0.00 0.10 0.40 1.23 0.09 0.00 0.00 178.44 180.26 2ja5 h GLY 99 N 0.22 1.64 0.47 0.83 0.00 0.19 1.34 103.07 107.76 2ja5 h GLY 99 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2ja5 h GLY 99 CO -0.10 -0.36 -0.09 0.00 0.00 0.00 0.00 176.54 175.99 2ja5 h ALA 100 N 1.77 -0.24 -0.73 3.60 0.00 -0.82 -3.02 119.26 119.81 2ja5 h ALA 100 Ca 0.61 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.45 2ja5 h ALA 100 Cb 1.25 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 2ja5 h ALA 100 CO -0.59 -0.37 0.23 1.25 0.00 0.00 0.00 179.25 179.77 2ja5 h LEU 101 N -0.77 0.13 -0.35 0.00 6.46 0.18 0.40 115.31 121.36 2ja5 h LEU 101 Ca -0.02 0.13 0.08 0.00 -0.12 0.00 0.00 57.88 57.94 2ja5 h LEU 101 Cb 0.52 0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 40.52 2ja5 h LEU 101 CO 0.04 0.02 -0.17 0.50 -0.62 0.00 0.00 178.44 178.21 2ja5 h LYS 102 N 0.34 -0.11 0.38 1.25 3.64 0.15 -1.53 116.57 120.69 2ja5 h LYS 102 Ca 0.41 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2ja5 h LYS 102 Cb 0.66 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2ja5 h LYS 102 CO -0.46 -0.08 -0.18 1.15 -2.27 0.00 0.00 179.45 177.61 2ja5 h THR 103 N -0.12 0.00 0.00 1.00 2.02 -0.64 -2.48 112.91 112.69 2ja5 h THR 103 Ca 0.18 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2ja5 h THR 103 Cb 0.39 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2ja5 h THR 103 CO -0.42 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.06 2ja5 n ASN 104 N -3.69 0.00 -0.11 4.18 3.02 0.11 -0.42 115.26 118.35 2ja5 n ASN 104 Ca -0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.28 2ja5 n ASN 104 Cb 0.20 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.30 2ja5 n ASN 104 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2ja5 n PHE 105 N -0.76 0.00 0.15 3.10 7.35 -0.59 -4.30 117.46 122.42 2ja5 n PHE 105 Ca 0.00 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.84 2ja5 n PHE 105 Cb 0.00 -0.76 0.72 0.00 0.35 0.00 0.00 39.48 39.78 2ja5 n PHE 105 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2ja5 h GLU 106 N -0.93 0.00 0.84 -4.13 5.08 -0.27 -0.54 114.58 114.63 2ja5 h GLU 106 Ca -0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2ja5 h GLU 106 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2ja5 h GLU 106 CO -0.26 0.00 -0.43 1.15 -1.00 0.00 0.00 179.01 178.47 2ja5 h THR 107 N 0.00 0.12 -0.94 1.13 2.02 -1.41 -2.30 112.91 111.52 2ja5 h THR 107 Ca 0.12 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 2ja5 h THR 107 Cb 0.51 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 2ja5 h THR 107 CO -0.00 0.00 0.61 -0.33 0.37 0.00 0.00 175.52 176.17 2ja5 h GLU 108 N -1.17 1.14 0.23 6.66 4.39 -1.56 -3.19 114.58 121.09 2ja5 h GLU 108 Ca -0.11 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.52 2ja5 h GLU 108 Cb 0.91 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 2ja5 h GLU 108 CO 0.17 0.76 -0.28 2.35 -1.16 0.00 0.00 179.01 180.84 2ja5 h TRP 109 N 1.18 -0.76 0.00 4.33 2.91 -0.81 -3.29 115.95 119.51 2ja5 h TRP 109 Ca 0.37 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.40 2ja5 h TRP 109 Cb 0.01 0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 2ja5 h TRP 109 CO -0.00 -0.40 0.00 0.09 -1.03 0.00 0.00 178.44 177.10 2ja5 n ASN 110 N -5.40 0.00 -3.15 2.65 3.02 -0.90 -4.58 115.26 106.91 2ja5 n ASN 110 Ca -0.08 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.26 2ja5 n ASN 110 Cb 0.31 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.42 2ja5 n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ja5 n LEU 111 N 0.46 -0.62 0.00 3.41 4.77 -1.24 -5.13 117.00 118.65 2ja5 n LEU 111 Ca 0.00 -4.32 0.00 0.00 -0.03 0.00 0.00 56.01 51.66 2ja5 n LEU 111 Cb 0.00 0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2ja5 n LEU 111 CO 0.00 2.00 0.00 0.00 -1.33 0.00 0.00 177.39 178.06 2ja5 n GLN 112 N 1.86 0.00 -0.64 3.23 10.64 -1.26 -5.19 117.38 126.02 2ja5 n GLN 112 Ca 0.21 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 2ja5 n GLN 112 Cb 0.53 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.91 2ja5 n GLN 112 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2ja5 n THR 113 N 0.00 0.00 -0.71 -0.39 -2.24 -1.26 -5.28 114.28 104.40 2ja5 n THR 113 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ja5 n THR 113 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2ja5 n THR 113 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39