#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja7 h ASN 2 N 0.00 0.00 -1.23 6.12 2.35 -2.12 -3.46 115.58 117.24 2ja7 h ASN 2 Ca 0.00 -0.11 -0.82 0.00 -0.55 0.00 0.00 56.30 54.83 2ja7 h ASN 2 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 2ja7 h ASN 2 CO 0.00 0.05 0.80 0.00 -1.65 0.00 0.00 177.43 176.63 2ja7 n ALA 3 N -1.94 -0.80 -0.36 -0.83 0.00 -1.26 -4.90 120.51 110.42 2ja7 n ALA 3 Ca 0.03 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 2ja7 n ALA 3 Cb 0.48 -2.06 0.29 0.00 0.00 0.00 0.00 19.45 18.15 2ja7 n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ja7 s PRO 4 N 3.31 -2.97 -0.31 0.00 0.04 -1.26 -4.93 135.00 128.89 2ja7 s PRO 4 Ca 1.02 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 62.00 2ja7 s PRO 4 Cb -1.31 -1.37 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 2ja7 s PRO 4 CO 0.75 -4.90 0.69 -0.51 0.04 0.00 0.00 177.00 173.06 2ja7 s ASP 5 N -3.12 6.55 0.09 6.66 1.01 -1.26 -4.96 116.67 121.65 2ja7 s ASP 5 Ca 0.69 0.50 -0.14 0.00 0.71 0.00 0.00 52.55 54.30 2ja7 s ASP 5 Cb -0.13 -2.36 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 2ja7 s ASP 5 CO 0.58 -0.54 0.79 0.54 0.21 0.00 0.00 175.17 176.75 2ja7 n ARG 6 N 6.01 -0.20 0.00 8.23 5.12 -1.26 -0.55 116.66 134.00 2ja7 n ARG 6 Ca 0.01 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 2ja7 n ARG 6 Cb 0.49 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 2ja7 n ARG 6 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2ja7 n PHE 7 N -4.66 0.00 1.11 -1.55 1.16 -1.26 -1.95 117.46 110.31 2ja7 n PHE 7 Ca 0.02 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.66 2ja7 n PHE 7 Cb 0.15 0.00 0.20 0.00 -1.61 0.00 0.00 39.48 38.22 2ja7 n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2ja7 n GLU 8 N -0.53 1.68 0.02 3.97 1.02 0.28 -2.79 120.64 124.30 2ja7 n GLU 8 Ca 0.00 -1.05 0.12 0.00 -0.02 0.00 0.00 57.16 56.21 2ja7 n GLU 8 Cb 0.00 -1.27 0.25 0.00 -0.02 0.00 0.00 31.44 30.40 2ja7 n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ja7 n LEU 9 N 0.33 0.52 0.00 -4.62 4.77 -0.82 -4.55 117.00 112.63 2ja7 n LEU 9 Ca 0.12 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2ja7 n LEU 9 Cb 0.26 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2ja7 n LEU 9 CO 0.08 0.06 0.00 2.22 -1.33 0.00 0.00 177.39 178.43 2ja7 n PHE 10 N -1.68 0.00 -3.42 -1.77 -0.00 -1.23 -4.32 117.46 105.04 2ja7 n PHE 10 Ca 0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.10 2ja7 n PHE 10 Cb 0.37 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.75 2ja7 n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2ja7 s LEU 11 N 0.00 4.23 0.71 5.98 2.01 -1.12 -4.94 118.68 125.56 2ja7 s LEU 11 Ca 0.00 -0.01 -0.15 0.00 0.01 0.00 0.00 54.13 53.98 2ja7 s LEU 11 Cb 0.00 -2.35 0.03 0.00 0.01 0.00 0.00 46.19 43.88 2ja7 s LEU 11 CO 0.00 -0.25 1.16 -0.76 1.01 0.00 0.00 176.35 177.52 2ja7 s LEU 12 N 2.01 3.31 0.00 1.79 1.02 -1.26 -4.80 118.68 120.75 2ja7 s LEU 12 Ca 0.12 2.20 0.00 0.00 0.02 0.00 0.00 54.13 56.48 2ja7 s LEU 12 Cb -0.16 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.48 2ja7 s LEU 12 CO 0.11 -2.06 0.00 0.61 0.02 0.00 0.00 176.35 175.03 2ja7 n GLY 13 N 0.01 3.03 3.62 -3.19 0.00 -1.26 -5.01 105.19 102.39 2ja7 n GLY 13 Ca 0.12 -2.10 -0.49 0.00 0.00 0.00 0.00 46.02 43.55 2ja7 n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ja7 n GLU 14 N -0.39 1.81 -2.88 1.61 1.02 -1.26 -3.79 120.64 116.75 2ja7 n GLU 14 Ca 0.00 0.62 -0.07 0.00 -0.02 0.00 0.00 57.16 57.68 2ja7 n GLU 14 Cb 0.00 -2.64 0.01 0.00 -0.02 0.00 0.00 31.44 28.79 2ja7 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ja7 n GLY 15 N 5.08 -2.24 3.62 0.62 0.00 -1.26 -5.08 105.19 105.93 2ja7 n GLY 15 Ca 0.28 0.88 -0.11 0.00 0.00 0.00 0.00 46.02 47.07 2ja7 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ja7 s GLU 16 N -2.13 0.61 0.22 1.61 2.02 -1.25 -5.18 118.70 114.61 2ja7 s GLU 16 Ca 0.15 0.56 0.10 0.00 0.02 0.00 0.00 54.97 55.81 2ja7 s GLU 16 Cb -0.04 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 2ja7 s GLU 16 CO 0.74 -0.11 -0.12 -1.12 0.02 0.00 0.00 175.26 174.67 2ja7 s SER 17 N -0.07 4.06 0.37 -0.19 0.01 -1.26 -4.84 113.70 111.78 2ja7 s SER 17 Ca 0.01 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.58 2ja7 s SER 17 Cb -0.04 -0.59 0.73 0.00 0.21 0.00 0.00 66.02 66.33 2ja7 s SER 17 CO -0.03 0.07 2.01 0.11 0.41 0.00 0.00 173.24 175.81 2ja7 h LYS 18 N 2.57 0.72 -6.60 12.44 1.79 -1.90 -3.39 116.57 122.20 2ja7 h LYS 18 Ca -0.45 -0.04 -0.65 0.00 -2.18 0.00 0.00 60.65 57.33 2ja7 h LYS 18 Cb 1.23 -0.16 -0.20 0.00 -1.58 0.00 0.00 32.23 31.52 2ja7 h LYS 18 CO 0.56 0.48 -0.83 -0.51 -1.08 0.00 0.00 179.45 178.06 2ja7 s LEU 19 N -9.65 2.40 -0.19 2.94 1.43 -1.26 -1.30 118.68 113.04 2ja7 s LEU 19 Ca -0.09 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2ja7 s LEU 19 Cb 0.18 -1.14 0.10 0.00 0.03 0.00 0.00 46.19 45.36 2ja7 s LEU 19 CO 0.76 0.12 0.33 -0.75 0.23 0.00 0.00 176.35 177.04 2ja7 s LYS 20 N -2.49 0.26 -0.34 1.70 2.20 -1.17 -4.97 119.74 114.93 2ja7 s LYS 20 Ca 0.18 0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 56.36 2ja7 s LYS 20 Cb -0.08 -0.29 0.03 0.00 -1.51 0.00 0.00 37.83 35.97 2ja7 s LYS 20 CO 0.08 -0.46 0.13 0.42 -0.36 0.00 0.00 175.35 175.17 2ja7 s ILE 21 N 2.49 4.11 -0.14 5.43 1.01 -1.26 -1.08 121.20 131.75 2ja7 s ILE 21 Ca 0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 2ja7 s ILE 21 Cb -0.14 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2ja7 s ILE 21 CO -0.12 -0.13 -0.01 -1.81 0.00 0.00 0.00 174.94 172.87 2ja7 s ASP 22 N 1.48 5.07 -0.52 3.58 1.01 -0.53 -4.98 116.67 121.77 2ja7 s ASP 22 Ca 0.01 -0.02 -0.28 0.00 0.71 0.00 0.00 52.55 52.97 2ja7 s ASP 22 Cb -0.19 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 42.03 2ja7 s ASP 22 CO 0.04 0.23 1.46 -2.16 0.21 0.00 0.00 175.17 174.95 2ja7 s PRO 23 N 0.03 3.32 0.31 8.23 0.04 -1.26 -1.54 135.00 144.13 2ja7 s PRO 23 Ca 0.02 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 2ja7 s PRO 23 Cb -0.13 -4.12 -0.11 0.00 0.04 0.00 0.00 34.50 30.18 2ja7 s PRO 23 CO 0.02 -1.90 1.52 0.34 0.04 0.00 0.00 177.00 177.03 2ja7 s ASP 24 N 4.62 6.43 -0.18 6.66 -1.08 -1.12 -4.91 116.67 127.08 2ja7 s ASP 24 Ca 0.57 2.93 0.18 0.00 -0.52 0.00 0.00 52.55 55.71 2ja7 s ASP 24 Cb -0.12 -2.64 -0.26 0.00 -1.46 0.00 0.00 42.92 38.44 2ja7 s ASP 24 CO 0.27 -0.85 0.11 0.35 0.52 0.00 0.00 175.17 175.57 2ja7 n THR 25 N 1.59 1.28 -0.50 1.71 -2.24 -1.26 -4.50 114.28 110.36 2ja7 n THR 25 Ca 0.05 -0.83 0.44 0.00 -2.27 0.00 0.00 64.05 61.44 2ja7 n THR 25 Cb 0.39 -0.43 0.76 0.00 -2.10 0.00 0.00 70.33 68.95 2ja7 n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2ja7 h LYS 26 N 0.00 0.00 -2.34 -0.78 1.79 -1.98 -3.40 116.57 109.86 2ja7 h LYS 26 Ca -0.50 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.89 2ja7 h LYS 26 Cb 2.15 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 32.57 2ja7 h LYS 26 CO 0.03 0.00 -0.04 0.00 -1.08 0.00 0.00 179.45 178.36 2ja7 s ALA 27 N -4.85 -1.43 0.45 3.86 0.00 -1.26 -5.15 121.76 113.38 2ja7 s ALA 27 Ca -0.05 1.63 -0.23 0.00 0.00 0.00 0.00 51.96 53.31 2ja7 s ALA 27 Cb 0.24 -0.95 -0.10 0.00 0.00 0.00 0.00 23.12 22.31 2ja7 s ALA 27 CO 0.82 -0.27 0.98 -0.35 0.00 0.00 0.00 175.76 176.93 2ja7 n PRO 28 N 2.80 1.25 -3.21 0.00 -0.04 -1.26 -4.07 135.00 130.46 2ja7 n PRO 28 Ca -0.14 0.45 -0.15 0.00 -0.04 0.00 0.00 63.50 63.62 2ja7 n PRO 28 Cb 0.56 -2.04 0.02 0.00 -0.04 0.00 0.00 33.50 32.00 2ja7 n PRO 28 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ja7 n ASN 29 N 0.36 -6.51 -3.58 3.54 2.85 -1.26 -4.91 115.26 105.75 2ja7 n ASN 29 Ca 0.10 0.34 -0.09 0.00 -0.11 0.00 0.00 54.58 54.82 2ja7 n ASN 29 Cb 0.40 -2.48 -0.04 0.00 1.24 0.00 0.00 39.78 38.90 2ja7 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ja7 s ALA 30 N -1.42 -1.96 0.17 5.20 0.00 -1.26 -3.59 121.76 118.90 2ja7 s ALA 30 Ca 0.17 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2ja7 s ALA 30 Cb -0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2ja7 s ALA 30 CO 0.50 -0.37 0.04 0.08 0.00 0.00 0.00 175.76 176.02 2ja7 s VAL 31 N -1.44 0.39 -0.20 0.00 1.01 0.11 -2.79 120.40 117.47 2ja7 s VAL 31 Ca 0.01 -1.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.02 2ja7 s VAL 31 Cb -0.01 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.26 2ja7 s VAL 31 CO -0.01 -0.39 0.00 -0.69 0.00 0.00 0.00 175.10 174.00 2ja7 s VAL 32 N -3.86 0.86 -0.25 2.92 1.01 -0.59 -0.92 120.40 119.57 2ja7 s VAL 32 Ca 0.26 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2ja7 s VAL 32 Cb 0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2ja7 s VAL 32 CO 0.05 -0.13 0.04 -0.63 0.00 0.00 0.00 175.10 174.43 2ja7 s ILE 33 N 1.71 3.97 -0.47 2.22 1.01 0.16 -1.46 121.20 128.33 2ja7 s ILE 33 Ca -0.02 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 2ja7 s ILE 33 Cb -0.17 -2.89 0.03 0.00 0.01 0.00 0.00 42.46 39.44 2ja7 s ILE 33 CO -0.07 0.30 0.73 -0.89 0.00 0.00 0.00 174.94 175.01 2ja7 s THR 34 N 1.55 4.71 -0.37 2.92 2.01 -0.24 -0.23 115.64 125.99 2ja7 s THR 34 Ca 0.05 0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 2ja7 s THR 34 Cb -0.15 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.06 2ja7 s THR 34 CO 0.01 -0.76 0.78 -0.36 -0.69 0.00 0.00 174.62 173.61 2ja7 s PHE 35 N 3.10 3.10 0.41 4.92 0.40 0.25 -3.07 117.98 127.10 2ja7 s PHE 35 Ca 0.24 0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 57.01 2ja7 s PHE 35 Cb -0.14 -3.42 -0.05 0.00 0.51 0.00 0.00 43.02 39.91 2ja7 s PHE 35 CO 0.19 -0.75 0.74 -1.21 0.70 0.00 0.00 175.22 174.88 2ja7 s GLU 36 N 3.12 3.68 -1.10 0.44 0.41 -0.42 -1.24 118.70 123.59 2ja7 s GLU 36 Ca 0.31 0.31 -0.23 0.00 -0.41 0.00 0.00 54.97 54.96 2ja7 s GLU 36 Cb -0.13 -2.43 0.03 0.00 -1.78 0.00 0.00 34.13 29.83 2ja7 s GLU 36 CO 0.17 -0.05 0.43 1.63 -0.49 0.00 0.00 175.26 176.95 2ja7 n LYS 37 N -1.54 -0.48 -4.01 1.61 4.76 -0.75 -4.83 118.16 112.92 2ja7 n LYS 37 Ca 0.01 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 2ja7 n LYS 37 Cb 0.54 -2.19 -0.02 0.00 -1.84 0.00 0.00 35.03 31.53 2ja7 n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2ja7 s GLU 38 N -7.03 2.08 0.00 1.97 0.41 -1.24 -4.65 118.70 110.25 2ja7 s GLU 38 Ca 0.32 -1.74 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 2ja7 s GLU 38 Cb -0.18 0.50 0.00 0.00 -1.78 0.00 0.00 34.13 32.67 2ja7 s GLU 38 CO 0.83 -0.90 0.00 -0.40 -0.49 0.00 0.00 175.26 174.30 2ja7 n ASP 39 N -1.58 0.00 -0.27 -0.19 5.75 -1.26 -1.25 116.55 117.74 2ja7 n ASP 39 Ca -0.02 -0.13 -0.04 0.00 -0.01 0.00 0.00 54.79 54.59 2ja7 n ASP 39 Cb 0.61 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.71 2ja7 n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2ja7 h HIS 40 N 0.13 -1.06 -0.70 2.11 3.86 -1.96 0.20 115.15 117.73 2ja7 h HIS 40 Ca 0.00 0.09 0.13 0.00 -1.16 0.00 0.00 60.37 59.43 2ja7 h HIS 40 Cb 0.00 0.57 -0.13 0.00 1.06 0.00 0.00 27.41 28.92 2ja7 h HIS 40 CO 0.00 -0.40 -0.21 2.41 0.86 0.00 0.00 177.93 180.59 2ja7 n THR 41 N -5.44 -0.32 0.57 2.45 -1.04 -1.26 -0.38 114.28 108.86 2ja7 n THR 41 Ca 0.06 1.62 0.09 0.00 -2.04 0.00 0.00 64.05 63.79 2ja7 n THR 41 Cb 0.37 -2.21 -0.12 0.00 -1.82 0.00 0.00 70.33 66.54 2ja7 n THR 41 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2ja7 n LEU 42 N -5.11 0.58 -0.05 -4.42 0.00 -0.76 -4.37 117.00 102.87 2ja7 n LEU 42 Ca 0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 56.01 55.68 2ja7 n LEU 42 Cb 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.66 2ja7 n LEU 42 CO -0.09 0.14 0.31 1.23 0.00 0.00 0.00 177.39 178.98 2ja7 h GLY 43 N 4.15 -0.03 0.30 -3.96 0.00 0.23 -2.81 103.07 100.95 2ja7 h GLY 43 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.42 2ja7 h GLY 43 CO 0.00 -0.01 0.01 -0.57 0.00 0.00 0.00 176.54 175.97 2ja7 h ASN 44 N -0.96 -0.16 -0.04 0.19 -1.24 -1.24 -1.30 115.58 110.83 2ja7 h ASN 44 Ca -0.00 0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.14 2ja7 h ASN 44 Cb 0.68 0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.87 2ja7 h ASN 44 CO 0.00 -0.04 -0.14 0.25 -1.29 0.00 0.00 177.43 176.21 2ja7 h LEU 45 N 0.12 -0.42 0.00 0.34 5.85 -1.74 0.41 115.31 119.87 2ja7 h LEU 45 Ca 0.22 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2ja7 h LEU 45 Cb 0.31 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2ja7 h LEU 45 CO -0.35 -0.19 0.00 -0.38 -0.34 0.00 0.00 178.44 177.17 2ja7 n ILE 46 N -5.28 0.39 -0.12 4.05 5.41 -1.06 -2.01 119.36 120.76 2ja7 n ILE 46 Ca -0.04 0.10 -0.26 0.00 1.00 0.00 0.00 62.75 63.55 2ja7 n ILE 46 Cb 0.20 -0.84 -0.11 0.00 -0.71 0.00 0.00 39.64 38.18 2ja7 n ILE 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2ja7 n ARG 47 N -1.21 0.60 0.17 0.38 0.00 0.38 -3.64 116.66 113.35 2ja7 n ARG 47 Ca 0.09 0.33 -0.14 0.00 -0.00 0.00 0.00 57.85 58.13 2ja7 n ARG 47 Cb 0.11 -1.58 -0.08 0.00 0.00 0.00 0.00 32.46 30.91 2ja7 n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ja7 h ALA 48 N -0.65 -0.40 -0.15 5.13 0.00 -0.16 -2.64 119.26 120.39 2ja7 h ALA 48 Ca -0.58 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.23 2ja7 h ALA 48 Cb 1.61 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2ja7 h ALA 48 CO -0.29 -0.63 0.12 0.93 0.00 0.00 0.00 179.25 179.38 2ja7 h GLU 49 N -0.59 0.00 0.00 0.00 4.39 -1.64 0.50 114.58 117.24 2ja7 h GLU 49 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2ja7 h GLU 49 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2ja7 h GLU 49 CO 0.07 0.00 0.00 1.25 -1.16 0.00 0.00 179.01 179.17 2ja7 h LEU 50 N 0.00 0.00 -0.44 1.33 6.46 -1.57 -2.93 115.31 118.16 2ja7 h LEU 50 Ca 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2ja7 h LEU 50 Cb 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2ja7 h LEU 50 CO -0.00 0.00 -0.09 -0.11 -0.62 0.00 0.00 178.44 177.62 2ja7 n LEU 51 N -2.40 0.78 -0.05 2.25 7.94 0.17 -3.89 117.00 121.80 2ja7 n LEU 51 Ca 0.04 -0.18 -0.20 0.00 -1.11 0.00 0.00 56.01 54.55 2ja7 n LEU 51 Cb 0.34 -0.10 -0.13 0.00 0.53 0.00 0.00 43.42 44.07 2ja7 n LEU 51 CO 0.26 0.14 -0.33 0.78 -1.11 0.00 0.00 177.39 177.12 2ja7 h ASN 52 N 1.08 0.17 -0.17 1.96 2.35 -1.55 -3.44 115.58 115.98 2ja7 h ASN 52 Ca 0.00 -0.75 -0.42 0.00 -0.55 0.00 0.00 56.30 54.58 2ja7 h ASN 52 Cb 0.37 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.60 2ja7 h ASN 52 CO 0.00 1.47 1.74 -0.67 -1.65 0.00 0.00 177.43 178.32 2ja7 n ASP 53 N -4.21 -0.01 0.17 5.81 -0.08 -1.25 -4.64 116.55 112.32 2ja7 n ASP 53 Ca -0.25 -0.23 0.07 0.00 -1.51 0.00 0.00 54.79 52.87 2ja7 n ASP 53 Cb 0.75 -0.90 0.38 0.00 2.34 0.00 0.00 41.12 43.69 2ja7 n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2ja7 n ARG 54 N 7.58 0.10 0.08 -0.67 5.12 -1.26 0.12 116.66 127.72 2ja7 n ARG 54 Ca 0.63 0.58 0.13 0.00 -1.93 0.00 0.00 57.85 57.26 2ja7 n ARG 54 Cb 0.14 -2.09 0.42 0.00 -1.16 0.00 0.00 32.46 29.78 2ja7 n ARG 54 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2ja7 n LYS 55 N -2.08 0.22 -2.94 5.56 4.76 -1.26 -4.72 118.16 117.70 2ja7 n LYS 55 Ca -0.01 0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 55.17 2ja7 n LYS 55 Cb 0.30 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.70 2ja7 n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ja7 s VAL 56 N -3.09 4.57 0.29 -0.18 1.01 0.32 -1.40 120.40 121.92 2ja7 s VAL 56 Ca 0.11 0.22 0.23 0.00 0.00 0.00 0.00 61.98 62.53 2ja7 s VAL 56 Cb 0.14 -4.42 0.22 0.00 0.00 0.00 0.00 36.38 32.32 2ja7 s VAL 56 CO 0.59 -0.91 1.91 -0.07 0.00 0.00 0.00 175.10 176.63 2ja7 h LEU 57 N 10.44 0.00 -7.00 3.92 3.38 0.12 -3.46 115.31 122.71 2ja7 h LEU 57 Ca -0.26 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2ja7 h LEU 57 Cb 1.08 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.60 2ja7 h LEU 57 CO 1.02 0.23 0.43 0.12 0.09 0.00 0.00 178.44 180.33 2ja7 s PHE 58 N -3.95 -0.47 -0.30 1.13 5.36 -0.61 -4.94 117.98 114.20 2ja7 s PHE 58 Ca -0.01 0.93 -0.15 0.00 -0.96 0.00 0.00 56.93 56.73 2ja7 s PHE 58 Cb 0.12 0.41 0.17 0.00 -0.34 0.00 0.00 43.02 43.38 2ja7 s PHE 58 CO 0.64 -0.37 1.02 0.00 -1.46 0.00 0.00 175.22 175.05 2ja7 s ALA 59 N -0.72 -2.77 0.20 11.12 0.00 -1.25 -0.08 121.76 128.26 2ja7 s ALA 59 Ca -0.02 2.02 -0.05 0.00 0.00 0.00 0.00 51.96 53.91 2ja7 s ALA 59 Cb -0.02 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 2ja7 s ALA 59 CO 0.01 -0.95 0.25 0.00 0.00 0.00 0.00 175.76 175.07 2ja7 s ALA 60 N 2.40 0.59 0.27 0.00 0.00 -1.07 -4.95 121.76 119.00 2ja7 s ALA 60 Ca -0.02 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.54 2ja7 s ALA 60 Cb -0.05 1.19 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 2ja7 s ALA 60 CO -0.17 -0.67 0.37 1.52 0.00 0.00 0.00 175.76 176.81 2ja7 s TYR 61 N -4.09 0.86 -0.23 0.00 -0.00 -1.26 -1.33 117.35 111.30 2ja7 s TYR 61 Ca 0.30 -1.12 -0.28 0.00 -0.00 0.00 0.00 57.07 55.98 2ja7 s TYR 61 Cb 0.04 -0.14 0.14 0.00 -0.00 0.00 0.00 41.96 42.00 2ja7 s TYR 61 CO 0.09 -0.93 1.08 -1.59 -0.00 0.00 0.00 175.55 174.20 2ja7 s LYS 62 N -3.74 0.47 -0.21 -3.49 -2.85 -0.58 -5.00 119.74 104.34 2ja7 s LYS 62 Ca 0.30 0.30 -0.19 0.00 -1.00 0.00 0.00 55.97 55.38 2ja7 s LYS 62 Cb 0.02 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 2ja7 s LYS 62 CO 0.14 -0.11 0.54 0.14 0.10 0.00 0.00 175.35 176.17 2ja7 s VAL 63 N -0.49 5.08 0.18 1.79 -7.23 -1.26 -1.92 120.40 116.54 2ja7 s VAL 63 Ca 0.02 0.99 -0.13 0.00 -1.81 0.00 0.00 61.98 61.05 2ja7 s VAL 63 Cb -0.03 -3.86 0.08 0.00 0.56 0.00 0.00 36.38 33.13 2ja7 s VAL 63 CO -0.04 0.15 1.82 -0.33 -0.31 0.00 0.00 175.10 176.39 2ja7 h GLU 64 N 7.56 0.78 -1.63 4.82 4.39 -1.91 -3.44 114.58 125.14 2ja7 h GLU 64 Ca -0.32 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.42 2ja7 h GLU 64 Cb 1.15 -0.17 -0.22 0.00 -0.10 0.00 0.00 28.75 29.41 2ja7 h GLU 64 CO 0.74 0.55 0.08 -1.58 -1.16 0.00 0.00 179.01 177.64 2ja7 s HIS 65 N -6.04 -0.98 0.35 4.33 5.04 -1.26 -5.06 115.29 111.68 2ja7 s HIS 65 Ca -0.13 1.77 0.27 0.00 -1.54 0.00 0.00 55.06 55.43 2ja7 s HIS 65 Cb 0.13 0.59 1.19 0.00 0.04 0.00 0.00 32.58 34.52 2ja7 s HIS 65 CO 0.76 -0.49 1.23 -0.35 -2.34 0.00 0.00 174.74 173.55 2ja7 n PRO 66 N 4.84 -0.03 0.06 2.88 -0.04 -1.26 -0.66 135.00 140.79 2ja7 n PRO 66 Ca -0.14 0.98 0.09 0.00 -0.04 0.00 0.00 63.50 64.39 2ja7 n PRO 66 Cb 0.53 -1.95 0.54 0.00 -0.04 0.00 0.00 33.50 32.58 2ja7 n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2ja7 h PHE 67 N 0.00 0.28 -3.25 0.54 0.05 -2.00 -3.43 116.94 109.14 2ja7 h PHE 67 Ca 0.70 0.01 -0.68 0.00 3.82 0.00 0.00 57.97 61.82 2ja7 h PHE 67 Cb 2.29 -0.10 -0.14 0.00 2.00 0.00 0.00 35.95 40.01 2ja7 h PHE 67 CO -0.00 0.16 -0.61 -0.06 -0.18 0.00 0.00 178.31 177.62 2ja7 s PHE 68 N -5.29 3.21 -0.57 -0.55 2.99 0.16 -5.06 117.98 112.86 2ja7 s PHE 68 Ca -0.07 0.23 -0.23 0.00 0.00 0.00 0.00 56.93 56.86 2ja7 s PHE 68 Cb 0.18 -1.80 0.05 0.00 0.00 0.00 0.00 43.02 41.45 2ja7 s PHE 68 CO 0.72 0.50 0.92 0.00 -0.00 0.00 0.00 175.22 177.35 2ja7 s ALA 69 N -0.91 3.17 0.00 5.36 0.00 -1.26 -4.77 121.76 123.34 2ja7 s ALA 69 Ca 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2ja7 s ALA 69 Cb -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2ja7 s ALA 69 CO 0.03 -2.43 0.00 2.89 0.00 0.00 0.00 175.76 176.25 2ja7 n ARG 70 N 7.40 0.00 -3.51 0.00 1.85 -0.38 -1.81 116.66 120.20 2ja7 n ARG 70 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2ja7 n ARG 70 Cb 0.47 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.84 2ja7 n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2ja7 s PHE 71 N -2.00 -0.45 -0.11 2.89 -0.12 -0.37 -4.25 117.98 113.58 2ja7 s PHE 71 Ca 0.00 0.33 -0.02 0.00 -0.05 0.00 0.00 56.93 57.19 2ja7 s PHE 71 Cb 0.00 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2ja7 s PHE 71 CO 0.00 -0.74 -0.03 0.15 -0.05 0.00 0.00 175.22 174.54 2ja7 s LYS 72 N -3.22 3.18 -0.13 1.99 1.02 -0.81 0.85 119.74 122.62 2ja7 s LYS 72 Ca -0.01 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.52 2ja7 s LYS 72 Cb -0.00 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.53 2ja7 s LYS 72 CO -0.08 0.52 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.49 2ja7 s LEU 73 N -0.40 2.16 -0.14 3.17 2.96 0.68 -1.52 118.68 125.59 2ja7 s LEU 73 Ca 0.07 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2ja7 s LEU 73 Cb -0.12 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2ja7 s LEU 73 CO 0.02 0.10 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.50 2ja7 s ARG 74 N 0.70 3.54 -0.06 1.98 3.52 -0.45 0.37 118.95 128.56 2ja7 s ARG 74 Ca -0.09 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 54.99 2ja7 s ARG 74 Cb -0.16 -2.84 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 2ja7 s ARG 74 CO 0.01 0.28 -0.13 0.42 -0.81 0.00 0.00 175.30 175.07 2ja7 s ILE 75 N 0.24 1.17 -0.03 4.11 1.01 -0.10 -2.60 121.20 125.00 2ja7 s ILE 75 Ca -0.04 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.13 2ja7 s ILE 75 Cb -0.14 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 2ja7 s ILE 75 CO 0.03 0.36 -0.13 -1.58 0.00 0.00 0.00 174.94 173.62 2ja7 s GLN 76 N 0.54 1.39 0.33 2.79 0.74 0.88 0.06 119.66 126.39 2ja7 s GLN 76 Ca -0.13 -0.46 0.04 0.00 0.05 0.00 0.00 55.36 54.86 2ja7 s GLN 76 Cb -0.15 -1.24 -0.03 0.00 1.10 0.00 0.00 33.01 32.69 2ja7 s GLN 76 CO 0.03 0.18 0.19 0.95 -0.55 0.00 0.00 175.29 176.10 2ja7 s THR 77 N 0.11 0.27 0.14 -0.34 -4.23 -1.24 0.15 115.64 110.50 2ja7 s THR 77 Ca -0.03 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 2ja7 s THR 77 Cb -0.10 -2.47 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 2ja7 s THR 77 CO 0.01 0.00 1.26 -0.89 -0.54 0.00 0.00 174.62 174.46 2ja7 s THR 78 N -3.50 3.58 0.48 3.99 2.01 -0.49 -4.74 115.64 116.98 2ja7 s THR 78 Ca 0.35 1.22 -0.19 0.00 0.31 0.00 0.00 61.69 63.37 2ja7 s THR 78 Cb 0.04 -3.78 -0.13 0.00 0.01 0.00 0.00 72.50 68.63 2ja7 s THR 78 CO 0.20 0.14 0.14 1.21 -0.69 0.00 0.00 174.62 175.62 2ja7 n GLU 79 N 3.27 0.18 -0.96 4.92 2.13 -1.26 -2.01 120.64 126.91 2ja7 n GLU 79 Ca 0.08 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2ja7 n GLU 79 Cb 0.44 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.94 2ja7 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ja7 n GLY 80 N 2.23 0.67 2.84 8.31 0.00 -1.26 -4.97 105.19 113.00 2ja7 n GLY 80 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2ja7 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ja7 s TYR 81 N -2.84 2.07 0.08 1.61 6.04 -0.85 -5.11 117.35 118.35 2ja7 s TYR 81 Ca 0.00 -1.75 -0.31 0.00 0.04 0.00 0.00 57.07 55.06 2ja7 s TYR 81 Cb 0.00 -1.70 -0.08 0.00 -1.04 0.00 0.00 41.96 39.14 2ja7 s TYR 81 CO 0.00 -0.80 1.50 0.34 -1.54 0.00 0.00 175.55 175.04 2ja7 s ASP 82 N 1.50 6.73 0.43 4.32 -1.08 -1.26 -4.60 116.67 122.71 2ja7 s ASP 82 Ca 0.03 2.37 0.14 0.00 -0.52 0.00 0.00 52.55 54.57 2ja7 s ASP 82 Cb -0.18 -2.58 0.95 0.00 -1.46 0.00 0.00 42.92 39.65 2ja7 s ASP 82 CO -0.14 -0.76 1.96 1.55 0.52 0.00 0.00 175.17 178.30 2ja7 h PRO 83 N 7.46 0.00 -0.61 4.34 0.13 -1.95 -1.90 132.00 139.47 2ja7 h PRO 83 Ca -0.41 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.83 2ja7 h PRO 83 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2ja7 h PRO 83 CO 0.90 0.22 0.17 0.87 -0.23 0.00 0.00 178.00 179.94 2ja7 h LYS 84 N 0.00 0.31 -0.20 0.86 1.57 -1.97 0.35 116.57 117.49 2ja7 h LYS 84 Ca -0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2ja7 h LYS 84 Cb 0.40 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2ja7 h LYS 84 CO 0.03 0.20 0.09 -0.44 -0.57 0.00 0.00 179.45 178.76 2ja7 h ASP 85 N 0.32 0.12 -0.72 0.86 3.32 -1.74 -1.77 116.42 116.82 2ja7 h ASP 85 Ca 0.32 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.52 2ja7 h ASP 85 Cb 0.45 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.90 2ja7 h ASP 85 CO -0.37 0.10 0.26 0.00 -1.72 0.00 0.00 179.24 177.51 2ja7 h ALA 86 N 1.11 0.98 -0.28 3.45 0.00 -0.64 0.21 119.26 124.09 2ja7 h ALA 86 Ca 0.08 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2ja7 h ALA 86 Cb 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2ja7 h ALA 86 CO -0.07 -0.23 0.09 1.25 0.00 0.00 0.00 179.25 180.29 2ja7 h LEU 87 N 0.40 0.08 0.00 0.00 5.85 0.19 -1.34 115.31 120.49 2ja7 h LEU 87 Ca 0.39 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2ja7 h LEU 87 Cb 0.59 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2ja7 h LEU 87 CO -0.40 0.08 0.00 0.29 -0.34 0.00 0.00 178.44 178.07 2ja7 n LYS 88 N -5.04 0.00 -0.14 1.25 5.02 0.66 -2.03 118.16 117.88 2ja7 n LYS 88 Ca -0.01 0.46 -0.04 0.00 -2.02 0.00 0.00 58.31 56.71 2ja7 n LYS 88 Cb 0.10 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 2ja7 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ja7 n ASN 89 N -1.30 -0.34 -0.43 4.39 3.02 -0.82 0.73 115.26 120.51 2ja7 n ASN 89 Ca 0.00 1.15 0.37 0.00 -0.03 0.00 0.00 54.58 56.07 2ja7 n ASN 89 Cb 0.00 -0.36 0.57 0.00 -0.61 0.00 0.00 39.78 39.39 2ja7 n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ja7 n ALA 90 N -3.05 1.33 -0.09 5.41 0.00 -0.51 0.14 120.51 123.74 2ja7 n ALA 90 Ca 0.01 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 2ja7 n ALA 90 Cb 0.08 -0.80 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 2ja7 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja7 h ASN 92 N -0.97 -1.22 -0.83 0.00 2.35 0.22 0.40 115.58 115.53 2ja7 h ASN 92 Ca -0.23 0.20 0.15 0.00 -0.55 0.00 0.00 56.30 55.86 2ja7 h ASN 92 Cb 1.23 0.55 -0.15 0.00 0.05 0.00 0.00 38.32 40.00 2ja7 h ASN 92 CO -0.13 -0.35 -0.30 -1.28 -1.65 0.00 0.00 177.43 173.72 2ja7 h SER 93 N -0.31 -1.10 -0.48 5.81 0.87 -0.33 0.38 113.55 118.39 2ja7 h SER 93 Ca 0.15 0.27 0.06 0.00 -1.23 0.00 0.00 61.79 61.04 2ja7 h SER 93 Cb 0.56 0.62 -0.06 0.00 -0.44 0.00 0.00 62.40 63.09 2ja7 h SER 93 CO -0.53 -0.29 0.17 0.40 -0.53 0.00 0.00 176.83 176.05 2ja7 h ILE 94 N -0.04 0.84 0.88 2.23 2.04 -0.22 -0.40 117.51 122.84 2ja7 h ILE 94 Ca 0.34 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 66.04 2ja7 h ILE 94 Cb 0.60 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2ja7 h ILE 94 CO -0.86 0.06 -0.42 0.40 0.00 0.00 0.00 178.15 177.33 2ja7 h ILE 95 N 0.35 0.00 -0.98 -0.67 2.04 0.16 -1.93 117.51 116.48 2ja7 h ILE 95 Ca 0.23 -0.09 0.24 0.00 1.00 0.00 0.00 64.86 66.24 2ja7 h ILE 95 Cb 0.24 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.14 2ja7 h ILE 95 CO -0.23 0.00 -0.09 0.78 0.00 0.00 0.00 178.15 178.61 2ja7 h ASN 96 N -1.28 -0.66 -0.25 1.72 2.35 -0.15 0.93 115.58 118.25 2ja7 h ASN 96 Ca -0.12 0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2ja7 h ASN 96 Cb 0.91 0.53 -0.01 0.00 0.05 0.00 0.00 38.32 39.80 2ja7 h ASN 96 CO 0.20 -0.34 0.14 0.11 -1.65 0.00 0.00 177.43 175.90 2ja7 h LYS 97 N 0.01 0.34 -0.68 0.81 1.57 -0.96 -2.20 116.57 115.46 2ja7 h LYS 97 Ca 0.54 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.27 2ja7 h LYS 97 Cb 0.99 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 2ja7 h LYS 97 CO -0.95 0.28 0.36 -0.07 -0.57 0.00 0.00 179.45 178.50 2ja7 h LEU 98 N 0.30 0.87 -1.73 2.94 3.38 0.11 -0.57 115.31 120.60 2ja7 h LEU 98 Ca 0.09 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.07 2ja7 h LEU 98 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2ja7 h LEU 98 CO -0.02 0.73 0.41 1.23 0.09 0.00 0.00 178.44 180.89 2ja7 h GLY 99 N 0.94 0.44 0.18 0.83 0.00 0.92 0.80 103.07 107.18 2ja7 h GLY 99 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2ja7 h GLY 99 CO -0.04 0.06 -0.00 0.00 0.00 0.00 0.00 176.54 176.56 2ja7 h ALA 100 N 1.70 -0.01 -0.55 3.60 0.00 -0.75 -3.16 119.26 120.10 2ja7 h ALA 100 Ca 0.29 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2ja7 h ALA 100 Cb 0.73 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2ja7 h ALA 100 CO -0.07 -0.09 0.21 1.25 0.00 0.00 0.00 179.25 180.55 2ja7 h LEU 101 N -0.82 0.23 -0.40 0.00 6.46 0.42 0.48 115.31 121.67 2ja7 h LEU 101 Ca -0.00 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.91 2ja7 h LEU 101 Cb 0.81 0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 40.69 2ja7 h LEU 101 CO 0.00 0.15 -0.22 0.50 -0.62 0.00 0.00 178.44 178.26 2ja7 h LYS 102 N 0.40 -0.14 0.47 1.25 3.64 0.46 -0.46 116.57 122.19 2ja7 h LYS 102 Ca 0.27 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2ja7 h LYS 102 Cb 0.29 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2ja7 h LYS 102 CO -0.26 -0.09 -0.23 1.15 -2.27 0.00 0.00 179.45 177.75 2ja7 h THR 103 N -0.15 0.00 0.00 1.00 2.02 -1.18 -2.66 112.91 111.94 2ja7 h THR 103 Ca 0.19 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2ja7 h THR 103 Cb 0.45 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2ja7 h THR 103 CO -0.49 0.00 0.21 0.59 0.37 0.00 0.00 175.52 176.20 2ja7 n ASN 104 N -4.18 0.00 -0.11 4.18 3.02 0.16 -0.55 115.26 117.78 2ja7 n ASN 104 Ca -0.08 0.29 -0.20 0.00 -0.03 0.00 0.00 54.58 54.56 2ja7 n ASN 104 Cb 0.25 -0.29 -0.09 0.00 -0.61 0.00 0.00 39.78 39.04 2ja7 n ASN 104 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2ja7 n PHE 105 N -1.29 0.68 0.01 3.10 7.35 -0.20 -4.03 117.46 123.09 2ja7 n PHE 105 Ca 0.00 0.29 0.16 0.00 -0.76 0.00 0.00 57.45 57.14 2ja7 n PHE 105 Cb 0.21 -0.98 0.62 0.00 0.35 0.00 0.00 39.48 39.67 2ja7 n PHE 105 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2ja7 h GLU 106 N -1.00 0.14 0.52 -4.13 5.08 -0.46 -0.32 114.58 114.41 2ja7 h GLU 106 Ca -0.36 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2ja7 h GLU 106 Cb 1.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2ja7 h GLU 106 CO -0.22 0.09 -0.36 1.15 -1.00 0.00 0.00 179.01 178.68 2ja7 h THR 107 N 0.14 0.27 -0.27 1.13 2.02 -1.31 -1.86 112.91 113.04 2ja7 h THR 107 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 2ja7 h THR 107 Cb 0.70 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2ja7 h THR 107 CO -0.03 0.00 0.07 -0.33 0.37 0.00 0.00 175.52 175.60 2ja7 h GLU 108 N -0.85 0.39 0.29 6.66 4.39 -1.44 -3.22 114.58 120.80 2ja7 h GLU 108 Ca -0.06 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2ja7 h GLU 108 Cb 0.71 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2ja7 h GLU 108 CO 0.03 0.37 -0.14 2.35 -1.16 0.00 0.00 179.01 180.46 2ja7 h TRP 109 N 0.39 -0.36 0.00 4.33 2.91 -0.46 -3.33 115.95 119.43 2ja7 h TRP 109 Ca 0.09 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.11 2ja7 h TRP 109 Cb 0.15 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 2ja7 h TRP 109 CO 0.00 -0.14 0.00 0.09 -1.03 0.00 0.00 178.44 177.36 2ja7 n ASN 110 N -5.21 0.00 -3.02 2.65 3.02 -0.76 -4.55 115.26 107.40 2ja7 n ASN 110 Ca -0.10 -0.11 -0.17 0.00 -0.03 0.00 0.00 54.58 54.17 2ja7 n ASN 110 Cb 0.21 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.37 2ja7 n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ja7 n LEU 111 N 0.90 -0.83 0.00 3.41 4.77 -1.25 -5.12 117.00 118.87 2ja7 n LEU 111 Ca 0.00 -4.26 0.00 0.00 -0.03 0.00 0.00 56.01 51.72 2ja7 n LEU 111 Cb 0.00 0.75 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 2ja7 n LEU 111 CO 0.00 2.10 0.00 0.00 -1.33 0.00 0.00 177.39 178.16 2ja7 n GLN 112 N 1.12 0.00 -0.55 3.23 10.64 -1.26 -5.19 117.38 125.36 2ja7 n GLN 112 Ca 0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 2ja7 n GLN 112 Cb 0.60 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.98 2ja7 n GLN 112 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2ja7 n THR 113 N 0.00 0.00 -0.79 -0.39 -2.24 -1.26 -5.28 114.28 104.32 2ja7 n THR 113 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ja7 n THR 113 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2ja7 n THR 113 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39