#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j85 s LYS 3 N 0.00 3.79 -0.27 1.61 1.02 -1.26 -4.89 119.74 119.73 2j85 s LYS 3 Ca 0.00 0.76 0.01 0.00 0.02 0.00 0.00 55.97 56.76 2j85 s LYS 3 Cb 0.00 -2.18 0.08 0.00 -0.52 0.00 0.00 37.83 35.21 2j85 s LYS 3 CO 0.00 -0.32 0.01 0.08 -0.92 0.00 0.00 175.35 174.20 2j85 s VAL 4 N -2.76 1.50 -0.03 3.17 1.01 -0.57 -1.68 120.40 121.04 2j85 s VAL 4 Ca 0.56 -1.48 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 2j85 s VAL 4 Cb -0.10 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2j85 s VAL 4 CO 0.39 -0.35 0.91 -0.36 0.00 0.00 0.00 175.10 175.70 2j85 s PHE 5 N 1.36 3.62 -0.30 5.22 0.40 -0.23 -0.34 117.98 127.71 2j85 s PHE 5 Ca 0.02 1.57 -0.17 0.00 -0.60 0.00 0.00 56.93 57.75 2j85 s PHE 5 Cb -0.18 -3.05 -0.02 0.00 0.51 0.00 0.00 43.02 40.27 2j85 s PHE 5 CO -0.11 -0.01 0.47 -1.17 0.70 0.00 0.00 175.22 175.10 2j85 s LEU 6 N 1.09 4.17 0.08 -0.37 2.96 0.02 -0.26 118.68 126.36 2j85 s LEU 6 Ca 0.48 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.65 2j85 s LEU 6 Cb -0.20 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 2j85 s LEU 6 CO 0.24 -0.33 -0.08 0.42 -1.32 0.00 0.00 176.35 175.29 2j85 s THR 7 N 2.27 0.66 -1.90 3.68 -4.23 -0.78 -0.75 115.64 114.59 2j85 s THR 7 Ca 0.18 -1.56 0.22 0.00 -1.18 0.00 0.00 61.69 59.36 2j85 s THR 7 Cb -0.16 -1.21 0.67 0.00 1.34 0.00 0.00 72.50 73.14 2j85 s THR 7 CO 0.11 -0.64 1.56 -0.46 -0.54 0.00 0.00 174.62 174.65 2j85 n ASN 8 N 0.64 4.09 -3.69 3.99 0.23 -1.26 -1.01 115.26 118.25 2j85 n ASN 8 Ca -0.17 -2.05 -0.12 0.00 -0.53 0.00 0.00 54.58 51.71 2j85 n ASN 8 Cb 0.58 -0.51 -0.06 0.00 -2.08 0.00 0.00 39.78 37.71 2j85 n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2j85 s ALA 9 N -1.10 -0.89 -0.07 -2.53 0.00 -1.26 -4.64 121.76 111.27 2j85 s ALA 9 Ca 0.50 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.67 2j85 s ALA 9 Cb 0.27 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 2j85 s ALA 9 CO 0.33 -0.48 -0.24 0.12 0.00 0.00 0.00 175.76 175.49 2j85 s PHE 10 N -2.73 2.49 -0.01 0.00 5.36 -1.26 -4.97 117.98 116.85 2j85 s PHE 10 Ca -0.04 -0.83 -0.02 0.00 -0.96 0.00 0.00 56.93 55.08 2j85 s PHE 10 Cb -0.00 -1.64 0.00 0.00 -0.34 0.00 0.00 43.02 41.04 2j85 s PHE 10 CO -0.04 -0.28 0.06 0.45 -1.46 0.00 0.00 175.22 173.94 2j85 s SER 11 N 0.01 -0.01 0.50 6.13 0.15 -1.26 -5.02 113.70 114.20 2j85 s SER 11 Ca -0.09 -0.01 0.29 0.00 0.70 0.00 0.00 55.95 56.85 2j85 s SER 11 Cb -0.15 0.14 1.39 0.00 -1.71 0.00 0.00 66.02 65.69 2j85 s SER 11 CO 0.05 -0.11 1.83 0.40 1.20 0.00 0.00 173.24 176.62 2j85 h ILE 12 N 4.90 0.50 0.00 6.45 2.04 -2.02 -3.37 117.51 126.01 2j85 h ILE 12 Ca -0.26 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2j85 h ILE 12 Cb 1.20 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2j85 h ILE 12 CO 0.45 0.02 0.51 0.59 0.00 0.00 0.00 178.15 179.72 2j85 n ASN 13 N -4.34 0.00 -1.16 1.72 3.02 -1.26 -4.83 115.26 108.41 2j85 n ASN 13 Ca 0.23 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 2j85 n ASN 13 Cb 1.03 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.18 2j85 n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2j85 n LEU 15 N 3.05 0.00 -0.31 3.41 4.77 -1.26 -4.81 117.00 121.85 2j85 n LEU 15 Ca 0.00 0.70 -0.04 0.00 -0.03 0.00 0.00 56.01 56.64 2j85 n LEU 15 Cb 0.00 -1.05 0.08 0.00 -2.33 0.00 0.00 43.42 40.12 2j85 n LEU 15 CO 0.25 -0.57 1.21 0.11 -1.33 0.00 0.00 177.39 177.07 2j85 h LYS 16 N 2.80 1.12 -4.06 3.23 1.57 -1.89 -3.46 116.57 115.89 2j85 h LYS 16 Ca 0.00 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 2j85 h LYS 16 Cb 0.00 -0.24 -0.15 0.00 0.08 0.00 0.00 32.23 31.92 2j85 h LYS 16 CO 0.00 0.77 -0.54 -1.21 -0.57 0.00 0.00 179.45 177.90 2j85 s GLU 17 N -6.05 0.73 0.02 3.15 2.02 -1.26 -5.13 118.70 112.19 2j85 s GLU 17 Ca -0.13 -1.12 0.01 0.00 0.02 0.00 0.00 54.97 53.75 2j85 s GLU 17 Cb 0.16 0.27 -0.02 0.00 0.10 0.00 0.00 34.13 34.64 2j85 s GLU 17 CO 0.80 -0.19 -0.05 -0.06 0.02 0.00 0.00 175.26 175.78 2j85 s PHE 18 N -3.90 0.43 0.54 1.61 0.40 -1.26 -3.98 117.98 111.82 2j85 s PHE 18 Ca 0.07 -0.36 -0.19 0.00 -0.60 0.00 0.00 56.93 55.85 2j85 s PHE 18 Cb 0.07 -0.27 -0.06 0.00 0.51 0.00 0.00 43.02 43.27 2j85 s PHE 18 CO -0.10 -0.09 1.09 -1.25 0.70 0.00 0.00 175.22 175.58 2j85 s PRO 19 N -1.06 3.44 0.09 0.24 0.04 -1.26 -5.20 135.00 131.29 2j85 s PRO 19 Ca -0.08 1.47 0.01 0.00 0.04 0.00 0.00 61.00 62.44 2j85 s PRO 19 Cb -0.07 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2j85 s PRO 19 CO -0.00 -0.75 -0.05 -0.08 0.04 0.00 0.00 177.00 176.15 2j85 s THR 20 N -1.97 0.58 -0.11 1.26 -1.32 -1.26 -5.15 115.64 107.67 2j85 s THR 20 Ca 0.69 -1.91 -0.00 0.00 -1.21 0.00 0.00 61.69 59.26 2j85 s THR 20 Cb -0.20 -1.66 0.02 0.00 -1.51 0.00 0.00 72.50 69.15 2j85 s THR 20 CO 0.27 -0.89 -0.08 -0.89 -2.21 0.00 0.00 174.62 170.82 2j85 s THR 21 N -3.70 1.05 0.10 5.08 2.01 -1.26 -5.11 115.64 113.80 2j85 s THR 21 Ca 0.11 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.87 2j85 s THR 21 Cb 0.06 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2j85 s THR 21 CO -0.06 0.37 -0.17 0.27 -0.69 0.00 0.00 174.62 174.34 2j85 s ILE 22 N 1.62 1.41 -0.07 1.82 -4.36 -1.26 -1.32 121.20 119.04 2j85 s ILE 22 Ca 0.03 -1.49 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 2j85 s ILE 22 Cb -0.13 -1.37 -0.03 0.00 1.25 0.00 0.00 42.46 42.19 2j85 s ILE 22 CO -0.07 -0.19 -0.08 -0.89 0.24 0.00 0.00 174.94 173.95 2j85 s THR 23 N -1.39 3.61 -0.11 8.37 2.01 0.82 -4.80 115.64 124.15 2j85 s THR 23 Ca 0.04 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.54 2j85 s THR 23 Cb -0.09 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 69.96 2j85 s THR 23 CO 0.03 0.59 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.79 2j85 s ILE 24 N -0.67 1.36 0.19 1.82 1.01 -1.26 -1.26 121.20 122.39 2j85 s ILE 24 Ca 0.10 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.32 2j85 s ILE 24 Cb -0.11 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2j85 s ILE 24 CO 0.02 0.42 -0.22 -0.62 0.00 0.00 0.00 174.94 174.53 2j85 s ASP 25 N 1.17 3.57 0.06 3.58 -1.08 -0.70 -4.98 116.67 118.28 2j85 s ASP 25 Ca -0.04 -0.83 -0.24 0.00 -0.52 0.00 0.00 52.55 50.92 2j85 s ASP 25 Cb -0.14 -0.33 -0.06 0.00 -1.46 0.00 0.00 42.92 40.93 2j85 s ASP 25 CO -0.04 0.12 0.74 -0.75 0.52 0.00 0.00 175.17 175.76 2j85 s LYS 26 N -2.72 4.48 0.07 4.34 2.20 -1.26 -1.57 119.74 125.27 2j85 s LYS 26 Ca 0.22 1.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.91 2j85 s LYS 26 Cb -0.08 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2j85 s LYS 26 CO 0.11 0.35 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.87 2j85 s LEU 27 N -0.26 3.20 0.74 5.43 1.43 0.21 -4.93 118.68 124.49 2j85 s LEU 27 Ca 0.37 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2j85 s LEU 27 Cb -0.21 -1.93 0.08 0.00 0.03 0.00 0.00 46.19 44.17 2j85 s LEU 27 CO 0.23 0.21 1.06 1.51 0.23 0.00 0.00 176.35 179.59 2j85 s ASP 28 N -1.96 4.58 0.15 2.29 1.47 -1.26 -4.01 116.67 117.92 2j85 s ASP 28 Ca 0.21 0.40 -0.19 0.00 1.18 0.00 0.00 52.55 54.15 2j85 s ASP 28 Cb -0.11 -0.95 0.03 0.00 -0.34 0.00 0.00 42.92 41.55 2j85 s ASP 28 CO 0.13 -1.76 1.68 -0.33 0.68 0.00 0.00 175.17 175.57 2j85 h GLU 29 N -0.74 -0.02 -0.52 2.11 5.08 -1.99 -2.06 114.58 116.44 2j85 h GLU 29 Ca -0.44 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 2j85 h GLU 29 Cb 1.31 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 2j85 h GLU 29 CO 0.57 -0.02 0.29 1.49 -1.00 0.00 0.00 179.01 180.35 2j85 h GLU 30 N -0.02 0.56 -0.14 2.33 4.81 -1.98 -0.82 114.58 119.31 2j85 h GLU 30 Ca 0.14 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 2j85 h GLU 30 Cb 0.24 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2j85 h GLU 30 CO -0.31 0.37 -0.62 -0.44 -0.73 0.00 0.00 179.01 177.28 2j85 h ASP 31 N 0.58 0.55 0.17 1.04 5.19 -1.91 -0.84 116.42 121.20 2j85 h ASP 31 Ca 0.22 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 2j85 h ASP 31 Cb 0.07 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2j85 h ASP 31 CO -0.12 1.03 -0.08 0.15 -3.12 0.00 0.00 179.24 177.10 2j85 h PHE 32 N 0.35 -0.22 -0.64 4.55 3.57 -1.11 -1.37 116.94 122.08 2j85 h PHE 32 Ca -0.01 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2j85 h PHE 32 Cb 1.17 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2j85 h PHE 32 CO 0.04 -0.14 0.17 0.00 -2.23 0.00 0.00 178.31 176.16 2j85 h LEU 34 N 0.93 0.77 -0.53 0.00 3.38 -1.16 -0.08 115.31 118.63 2j85 h LEU 34 Ca 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2j85 h LEU 34 Cb 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2j85 h LEU 34 CO -0.00 0.83 0.22 0.11 0.09 0.00 0.00 178.44 179.69 2j85 h LYS 35 N 0.67 0.79 -0.16 1.13 1.57 -1.12 0.26 116.57 119.71 2j85 h LYS 35 Ca 0.15 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2j85 h LYS 35 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2j85 h LYS 35 CO 0.01 0.69 0.08 1.25 -0.57 0.00 0.00 179.45 180.91 2j85 h LEU 36 N 0.72 0.11 -0.49 2.94 5.85 -1.04 -0.66 115.31 122.74 2j85 h LEU 36 Ca 0.18 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2j85 h LEU 36 Cb 0.19 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2j85 h LEU 36 CO -0.02 0.09 0.30 -0.33 -0.34 0.00 0.00 178.44 178.14 2j85 h GLU 37 N 0.17 0.58 -0.60 1.25 5.08 -0.86 -0.07 114.58 120.14 2j85 h GLU 37 Ca 0.07 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2j85 h GLU 37 Cb 0.02 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 2j85 h GLU 37 CO -0.05 0.39 0.28 1.25 -1.00 0.00 0.00 179.01 179.88 2j85 h LEU 38 N 0.60 0.37 -0.48 1.33 5.85 -0.71 -0.14 115.31 122.13 2j85 h LEU 38 Ca 0.19 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2j85 h LEU 38 Cb -0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2j85 h LEU 38 CO -0.08 0.23 -0.19 0.03 -0.34 0.00 0.00 178.44 178.09 2j85 h ARG 39 N 0.52 0.00 -0.02 1.25 2.47 -0.69 -1.37 114.38 116.54 2j85 h ARG 39 Ca 0.28 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.99 2j85 h ARG 39 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2j85 h ARG 39 CO -0.23 0.19 -0.03 -0.07 0.56 0.00 0.00 179.97 180.39 2j85 h LEU 40 N 0.00 0.07 -0.97 3.04 3.38 -0.62 -1.64 115.31 118.56 2j85 h LEU 40 Ca -0.00 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.46 2j85 h LEU 40 Cb 0.97 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2j85 h LEU 40 CO 0.03 0.60 0.63 -0.33 0.09 0.00 0.00 178.44 179.45 2j85 h GLU 41 N -0.46 1.17 -0.01 1.13 4.39 -0.87 -2.24 114.58 117.68 2j85 h GLU 41 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2j85 h GLU 41 Cb 0.59 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2j85 h GLU 41 CO 0.01 0.77 -0.03 -0.40 -1.16 0.00 0.00 179.01 178.20 2j85 n ASP 42 N -4.48 1.42 -0.07 1.42 5.68 -0.53 -4.94 116.55 115.05 2j85 n ASP 42 Ca 0.13 -1.41 -0.01 0.00 -0.50 0.00 0.00 54.79 53.00 2j85 n ASP 42 Cb 0.11 0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2j85 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2j85 n GLY 43 N 1.20 0.49 0.02 6.12 0.00 -0.84 -4.91 105.19 107.27 2j85 n GLY 43 Ca 0.18 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.94 2j85 n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j85 n THR 44 N -2.90 0.11 -2.00 2.61 -2.24 -0.76 -4.91 114.28 104.20 2j85 n THR 44 Ca -0.01 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 2j85 n THR 44 Cb 0.07 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2j85 n THR 44 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2j85 s LEU 45 N -3.90 4.37 -0.22 3.22 2.96 -0.69 -1.51 118.68 122.91 2j85 s LEU 45 Ca 0.02 2.52 -0.04 0.00 -0.22 0.00 0.00 54.13 56.41 2j85 s LEU 45 Cb 0.14 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 2j85 s LEU 45 CO 0.84 -0.79 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.43 2j85 s ILE 46 N 1.30 3.54 -0.21 6.68 1.01 0.53 -4.88 121.20 129.17 2j85 s ILE 46 Ca 0.69 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 2j85 s ILE 46 Cb -0.41 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 2j85 s ILE 46 CO 0.31 0.41 0.81 0.21 0.00 0.00 0.00 174.94 176.68 2j85 s ASN 47 N 1.45 6.86 -0.12 3.58 2.47 -1.26 -0.80 114.94 127.12 2j85 s ASN 47 Ca 0.05 1.06 0.15 0.00 0.42 0.00 0.00 52.86 54.54 2j85 s ASN 47 Cb -0.14 -2.43 0.29 0.00 -1.45 0.00 0.00 41.25 37.51 2j85 s ASN 47 CO -0.02 -0.44 1.15 0.00 -3.72 0.00 0.00 177.10 174.06 2j85 n ALA 48 N 5.60 2.57 -2.58 1.71 0.00 0.07 -4.62 120.51 123.27 2j85 n ALA 48 Ca 0.04 -2.53 -0.42 0.00 0.00 0.00 0.00 53.44 50.53 2j85 n ALA 48 Cb 0.48 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 2j85 n ALA 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2j85 s ILE 49 N -2.33 4.71 -0.95 0.00 1.01 -1.16 -4.68 121.20 117.78 2j85 s ILE 49 Ca 0.29 0.77 0.26 0.00 0.00 0.00 0.00 60.65 61.97 2j85 s ILE 49 Cb 0.27 -4.24 0.11 0.00 0.01 0.00 0.00 42.46 38.60 2j85 s ILE 49 CO -0.01 -0.51 1.61 0.61 0.00 0.00 0.00 174.94 176.63 2j85 n GLY 50 N 4.65 -1.38 3.39 6.18 0.00 -1.24 -1.50 105.19 115.29 2j85 n GLY 50 Ca 0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2j85 n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j85 s HIS 51 N -3.02 2.58 0.41 1.61 3.76 -1.26 -4.59 115.29 114.77 2j85 s HIS 51 Ca 0.12 -0.37 0.07 0.00 -0.15 0.00 0.00 55.06 54.73 2j85 s HIS 51 Cb 0.17 -1.61 0.86 0.00 1.11 0.00 0.00 32.58 33.11 2j85 s HIS 51 CO 0.64 0.03 2.05 -0.44 -0.85 0.00 0.00 174.74 176.17 2j85 h ASP 52 N 5.63 0.46 -0.58 1.40 3.32 -1.98 -1.70 116.42 122.96 2j85 h ASP 52 Ca -0.41 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 2j85 h ASP 52 Cb 1.15 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2j85 h ASP 52 CO 0.49 0.34 0.20 0.28 -1.72 0.00 0.00 179.24 178.84 2j85 h SER 53 N 0.54 0.83 -0.09 6.45 0.02 -1.96 0.40 113.55 119.75 2j85 h SER 53 Ca 0.15 -0.19 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 2j85 h SER 53 Cb -0.05 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.28 2j85 h SER 53 CO -0.03 0.80 -0.54 0.74 -1.14 0.00 0.00 176.83 176.66 2j85 h THR 54 N 0.82 1.37 -0.39 -2.27 2.02 -1.92 -2.19 112.91 110.35 2j85 h THR 54 Ca 0.19 -1.88 0.06 0.00 0.77 0.00 0.00 66.41 65.55 2j85 h THR 54 Cb 0.25 2.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 2j85 h THR 54 CO -0.01 0.56 0.08 0.40 0.37 0.00 0.00 175.52 176.93 2j85 h ILE 55 N 0.12 0.81 -0.57 3.11 1.08 -1.15 -0.87 117.51 120.04 2j85 h ILE 55 Ca -0.04 -0.07 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 2j85 h ILE 55 Cb 1.20 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 2j85 h ILE 55 CO 0.11 0.04 0.24 0.78 -0.69 0.00 0.00 178.15 178.63 2j85 h ASN 56 N 0.21 0.77 -0.51 1.72 -0.26 -0.18 -0.69 115.58 116.64 2j85 h ASN 56 Ca 0.19 -0.16 0.05 0.00 -0.56 0.00 0.00 56.30 55.82 2j85 h ASN 56 Cb 0.22 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.23 2j85 h ASN 56 CO -0.24 0.71 0.24 0.25 -1.06 0.00 0.00 177.43 177.33 2j85 h LEU 57 N 0.77 0.32 -0.46 1.61 6.46 -1.15 -0.30 115.31 122.57 2j85 h LEU 57 Ca 0.19 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.91 2j85 h LEU 57 Cb 0.17 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2j85 h LEU 57 CO -0.02 0.22 -0.00 0.58 -0.62 0.00 0.00 178.44 178.60 2j85 h VAL 58 N 0.46 1.26 -0.61 1.05 2.07 -0.90 -0.46 116.25 119.13 2j85 h VAL 58 Ca 0.23 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2j85 h VAL 58 Cb 0.17 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2j85 h VAL 58 CO -0.18 0.37 0.24 0.78 0.02 0.00 0.00 177.57 178.80 2j85 h ASN 59 N 0.66 0.84 -0.18 0.57 -0.26 -0.94 0.13 115.58 116.40 2j85 h ASN 59 Ca 0.13 -0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 2j85 h ASN 59 Cb 0.50 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 2j85 h ASN 59 CO 0.02 0.78 0.07 0.74 -1.06 0.00 0.00 177.43 177.98 2j85 h THR 60 N 0.84 1.16 -0.22 2.81 2.02 -0.93 0.28 112.91 118.88 2j85 h THR 60 Ca 0.20 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2j85 h THR 60 Cb 0.20 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2j85 h THR 60 CO -0.02 0.16 0.09 0.25 0.37 0.00 0.00 175.52 176.37 2j85 h LEU 61 N 0.13 0.30 0.00 2.58 5.85 -0.80 -3.32 115.31 120.05 2j85 h LEU 61 Ca 0.06 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2j85 h LEU 61 Cb 0.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2j85 h LEU 61 CO -0.00 0.38 -1.55 0.00 -0.34 0.00 0.00 178.44 176.93 2j85 n GLY 63 N 1.39 0.51 3.93 0.00 0.00 0.96 -5.04 105.19 106.94 2j85 n GLY 63 Ca -0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 2j85 n GLY 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j85 s THR 64 N -2.00 2.04 -0.35 2.61 -4.23 -1.17 -5.03 115.64 107.52 2j85 s THR 64 Ca 0.00 -0.09 0.14 0.00 -1.18 0.00 0.00 61.69 60.56 2j85 s THR 64 Cb 0.00 -2.95 0.45 0.00 1.34 0.00 0.00 72.50 71.34 2j85 s THR 64 CO 0.00 0.00 1.03 0.00 -0.54 0.00 0.00 174.62 175.11 2j85 n GLN 65 N -3.49 1.99 -2.35 3.99 6.02 -1.26 -4.64 117.38 117.64 2j85 n GLN 65 Ca 0.13 -3.69 -0.37 0.00 -0.01 0.00 0.00 57.00 53.06 2j85 n GLN 65 Cb 0.60 -1.62 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 2j85 n GLN 65 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2j85 s LEU 66 N -3.34 4.12 0.12 1.08 1.43 -1.26 -5.06 118.68 115.77 2j85 s LEU 66 Ca 0.34 2.25 0.07 0.00 -1.03 0.00 0.00 54.13 55.76 2j85 s LEU 66 Cb 0.43 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2j85 s LEU 66 CO -0.03 -0.71 -0.05 -1.10 0.23 0.00 0.00 176.35 174.69 2j85 s GLN 67 N -2.48 2.29 0.62 1.70 -0.21 -1.26 -4.88 119.66 115.44 2j85 s GLN 67 Ca 0.59 -1.01 -0.19 0.00 0.02 0.00 0.00 55.36 54.78 2j85 s GLN 67 Cb -0.28 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.34 2j85 s GLN 67 CO 0.34 0.50 1.28 -1.59 -2.12 0.00 0.00 175.29 173.70 2j85 s LYS 68 N -2.44 2.73 -0.24 2.91 -2.85 -1.26 -4.97 119.74 113.62 2j85 s LYS 68 Ca 0.24 2.01 -0.09 0.00 -1.00 0.00 0.00 55.97 57.14 2j85 s LYS 68 Cb -0.11 -1.91 0.10 0.00 -2.06 0.00 0.00 37.83 33.86 2j85 s LYS 68 CO 0.16 -1.45 0.52 1.21 0.10 0.00 0.00 175.35 175.90 2j85 s ASN 69 N -1.41 -0.65 -0.14 0.03 2.47 -0.57 -4.99 114.94 109.68 2j85 s ASN 69 Ca 0.80 1.24 -0.21 0.00 0.42 0.00 0.00 52.86 55.12 2j85 s ASN 69 Cb -0.36 1.71 -0.03 0.00 -1.45 0.00 0.00 41.25 41.12 2j85 s ASN 69 CO 0.38 -0.23 0.61 -0.13 -3.72 0.00 0.00 177.10 174.02 2j85 s ARG 70 N 2.64 4.30 -0.11 0.43 0.52 -1.26 -3.40 118.95 122.07 2j85 s ARG 70 Ca -0.04 0.64 -0.08 0.00 -0.52 0.00 0.00 55.73 55.73 2j85 s ARG 70 Cb -0.12 -3.51 0.04 0.00 0.52 0.00 0.00 34.95 31.88 2j85 s ARG 70 CO -0.16 -0.06 0.28 0.08 0.02 0.00 0.00 175.30 175.46 2j85 s VAL 71 N 1.31 -0.02 -0.36 3.52 1.01 -1.26 -5.06 120.40 119.54 2j85 s VAL 71 Ca 0.30 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 2j85 s VAL 71 Cb -0.16 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.83 2j85 s VAL 71 CO 0.12 0.03 0.98 -0.70 0.00 0.00 0.00 175.10 175.53 2j85 s GLU 72 N 0.72 3.91 -0.20 2.72 2.12 -1.26 -4.95 118.70 121.76 2j85 s GLU 72 Ca -0.05 0.73 -0.29 0.00 0.36 0.00 0.00 54.97 55.72 2j85 s GLU 72 Cb -0.06 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.55 2j85 s GLU 72 CO -0.05 -0.95 1.07 0.08 -0.54 0.00 0.00 175.26 174.87 2j85 s VAL 73 N 3.58 4.62 0.34 3.70 1.01 -1.26 -5.18 120.40 127.21 2j85 s VAL 73 Ca 0.41 1.95 0.04 0.00 0.00 0.00 0.00 61.98 64.37 2j85 s VAL 73 Cb -0.12 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2j85 s VAL 73 CO 0.18 -0.14 0.16 -0.54 0.00 0.00 0.00 175.10 174.76 2j85 s LYS 74 N 3.03 1.71 0.26 2.72 -0.14 -1.26 -4.70 119.74 121.36 2j85 s LYS 74 Ca 0.47 -1.99 -0.02 0.00 -1.36 0.00 0.00 55.97 53.06 2j85 s LYS 74 Cb -0.17 -0.23 -0.02 0.00 -1.68 0.00 0.00 37.83 35.73 2j85 s LYS 74 CO 0.10 -0.47 0.29 -0.80 -0.76 0.00 0.00 175.35 173.71 2j85 s ASN 76 N -3.44 0.54 0.55 2.83 0.01 -1.26 -4.86 114.94 109.30 2j85 s ASN 76 Ca 0.33 -1.39 0.31 0.00 -0.71 0.00 0.00 52.86 51.41 2j85 s ASN 76 Cb 0.04 0.51 1.61 0.00 0.41 0.00 0.00 41.25 43.82 2j85 s ASN 76 CO 0.18 -1.03 2.11 -0.08 -1.51 0.00 0.00 177.10 176.77 2j85 h GLU 77 N 2.36 0.00 -0.01 -0.60 4.57 -2.02 -2.30 114.58 116.58 2j85 h GLU 77 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2j85 h GLU 77 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2j85 h GLU 77 CO 0.44 0.08 -0.11 0.41 -1.18 0.00 0.00 179.01 178.64 2j85 n GLY 78 N -0.65 -0.10 3.93 1.92 0.00 -1.26 -4.51 105.19 104.53 2j85 n GLY 78 Ca -0.02 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 2j85 n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j85 s ASP 79 N -2.19 6.34 0.20 1.61 1.01 -0.87 -3.54 116.67 119.23 2j85 s ASP 79 Ca 0.31 0.48 0.00 0.00 0.71 0.00 0.00 52.55 54.06 2j85 s ASP 79 Cb 0.20 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 42.04 2j85 s ASP 79 CO 0.40 -0.23 0.08 -1.83 0.21 0.00 0.00 175.17 173.80 2j85 s GLU 80 N -4.02 1.20 0.04 8.23 -1.05 -0.67 -4.18 118.70 118.26 2j85 s GLU 80 Ca 0.40 -1.62 0.06 0.00 -0.15 0.00 0.00 54.97 53.66 2j85 s GLU 80 Cb -0.10 -0.03 -0.02 0.00 -0.44 0.00 0.00 34.13 33.53 2j85 s GLU 80 CO 0.34 -0.28 -0.16 0.00 0.95 0.00 0.00 175.26 176.11 2j85 s ALA 81 N -3.89 1.38 -0.21 -0.84 0.00 0.82 -1.07 121.76 117.95 2j85 s ALA 81 Ca 0.33 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 2j85 s ALA 81 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2j85 s ALA 81 CO 0.09 0.28 -0.05 -0.51 0.00 0.00 0.00 175.76 175.57 2j85 s LEU 82 N -1.17 2.89 -0.08 0.00 1.43 0.64 -0.86 118.68 121.53 2j85 s LEU 82 Ca 0.04 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2j85 s LEU 82 Cb -0.08 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2j85 s LEU 82 CO 0.01 0.01 -0.23 -0.63 0.23 0.00 0.00 176.35 175.74 2j85 s ILE 83 N 1.32 2.22 0.49 -0.59 1.01 0.14 -1.87 121.20 123.91 2j85 s ILE 83 Ca 0.04 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.73 2j85 s ILE 83 Cb -0.14 -1.83 0.04 0.00 0.01 0.00 0.00 42.46 40.53 2j85 s ILE 83 CO -0.02 0.56 0.32 0.00 0.00 0.00 0.00 174.94 175.80 2j85 n ILE 84 N 3.11 0.00 -3.64 2.92 3.06 -0.18 -0.80 119.36 123.83 2j85 n ILE 84 Ca -0.18 -1.98 0.01 0.00 -2.50 0.00 0.00 62.75 58.11 2j85 n ILE 84 Cb 0.52 -0.01 -0.06 0.00 0.54 0.00 0.00 39.64 40.63 2j85 n ILE 84 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2j85 s ILE 86 N -2.47 -0.00 -0.00 9.51 1.01 -1.26 -4.09 121.20 123.91 2j85 s ILE 86 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 2j85 s ILE 86 Cb -0.02 -1.00 -0.06 0.00 0.01 0.00 0.00 42.46 41.39 2j85 s ILE 86 CO 0.15 0.00 0.77 0.28 0.00 0.00 0.00 174.94 176.15 2j85 h SER 87 N 5.34 -0.31 -4.01 3.58 0.02 -1.78 -3.45 113.55 112.93 2j85 h SER 87 Ca -0.26 0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.19 2j85 h SER 87 Cb 1.16 0.08 0.07 0.00 0.14 0.00 0.00 62.40 63.85 2j85 h SER 87 CO 0.23 -0.14 0.49 0.00 -1.14 0.00 0.00 176.83 176.26 2j85 s GLN 88 N -3.14 3.73 -0.48 3.45 -2.07 -1.26 -4.97 119.66 114.92 2j85 s GLN 88 Ca -0.05 1.78 -0.28 0.00 -1.82 0.00 0.00 55.36 54.98 2j85 s GLN 88 Cb 0.01 -2.39 0.03 0.00 -1.09 0.00 0.00 33.01 29.57 2j85 s GLN 88 CO 0.16 -0.58 1.10 1.03 -1.32 0.00 0.00 175.29 175.69 2j85 s ARG 89 N -2.72 3.68 0.48 9.60 0.52 -1.26 -5.01 118.95 124.23 2j85 s ARG 89 Ca 0.64 0.48 -0.23 0.00 -0.52 0.00 0.00 55.73 56.10 2j85 s ARG 89 Cb -0.29 -3.92 -0.08 0.00 0.52 0.00 0.00 34.95 31.18 2j85 s ARG 89 CO 0.35 -1.37 1.11 1.28 0.02 0.00 0.00 175.30 176.68 2j85 n LEU 90 N 7.76 3.57 -4.70 2.53 4.77 -1.26 -4.95 117.00 124.72 2j85 n LEU 90 Ca 0.11 1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 56.66 2j85 n LEU 90 Cb 0.49 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 2j85 n LEU 90 CO 0.71 -1.24 1.02 -1.61 -1.33 0.00 0.00 177.39 174.94 2j85 s GLU 91 N -2.33 4.34 -1.03 3.23 2.02 -1.26 -4.95 118.70 118.72 2j85 s GLU 91 Ca 0.66 1.89 -0.23 0.00 0.02 0.00 0.00 54.97 57.32 2j85 s GLU 91 Cb -0.49 -3.44 0.03 0.00 0.10 0.00 0.00 34.13 30.33 2j85 s GLU 91 CO 0.54 -0.44 1.57 -1.21 0.02 0.00 0.00 175.26 175.74 2j85 s GLU 92 N 1.73 3.42 0.00 1.61 0.41 -1.26 -3.21 118.70 121.40 2j85 s GLU 92 Ca 0.61 -1.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 2j85 s GLU 92 Cb -0.31 -5.32 0.00 0.00 -1.78 0.00 0.00 34.13 26.72 2j85 s GLU 92 CO 0.27 -2.46 0.00 0.41 -0.49 0.00 0.00 175.26 172.99 2j85 n GLY 93 N 6.73 3.14 3.59 -1.39 0.00 -1.26 -5.11 105.19 110.90 2j85 n GLY 93 Ca 0.36 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2j85 n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j85 s LYS 94 N 0.00 3.08 -0.16 1.61 2.20 -1.20 -4.95 119.74 120.32 2j85 s LYS 94 Ca 0.00 1.73 -0.29 0.00 -0.36 0.00 0.00 55.97 57.04 2j85 s LYS 94 Cb 0.00 -4.34 -0.02 0.00 -1.51 0.00 0.00 37.83 31.97 2j85 s LYS 94 CO 0.00 -2.16 1.27 0.08 -0.36 0.00 0.00 175.35 174.18 2j85 s VAL 95 N 8.25 4.26 -0.10 4.02 1.01 -1.26 -4.92 120.40 131.66 2j85 s VAL 95 Ca 0.92 1.53 -0.12 0.00 0.00 0.00 0.00 61.98 64.31 2j85 s VAL 95 Cb -0.27 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2j85 s VAL 95 CO 0.33 -0.13 0.27 -0.76 0.00 0.00 0.00 175.10 174.81 2j85 s LEU 96 N 3.51 4.36 0.69 3.92 1.43 -1.26 -5.10 118.68 126.23 2j85 s LEU 96 Ca 0.55 0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 2j85 s LEU 96 Cb -0.22 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.68 2j85 s LEU 96 CO 0.15 0.27 1.08 -0.94 0.23 0.00 0.00 176.35 177.14 2j85 s SER 97 N -0.48 5.54 0.51 2.29 1.04 -1.26 -4.90 113.70 116.44 2j85 s SER 97 Ca 0.18 1.26 0.28 0.00 0.48 0.00 0.00 55.95 58.15 2j85 s SER 97 Cb -0.14 -2.12 1.38 0.00 0.10 0.00 0.00 66.02 65.25 2j85 s SER 97 CO 0.07 -1.30 2.03 -0.78 0.98 0.00 0.00 173.24 174.24 2j85 h ASP 98 N -0.62 0.00 -0.46 7.02 1.82 -1.99 -1.56 116.42 120.63 2j85 h ASP 98 Ca -0.45 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.12 2j85 h ASP 98 Cb 1.24 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.23 2j85 h ASP 98 CO 0.62 0.13 0.00 0.50 -1.61 0.00 0.00 179.24 178.88 2j85 h LYS 99 N 0.00 0.82 -0.51 0.28 3.64 -1.98 -2.05 116.57 116.77 2j85 h LYS 99 Ca -0.00 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 2j85 h LYS 99 Cb 0.41 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2j85 h LYS 99 CO 0.02 0.87 0.12 0.93 -2.27 0.00 0.00 179.45 179.11 2j85 h GLU 100 N 0.67 0.82 -0.71 1.90 5.08 -1.68 -1.60 114.58 119.06 2j85 h GLU 100 Ca 0.13 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2j85 h GLU 100 Cb 0.50 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2j85 h GLU 100 CO 0.02 0.79 0.18 0.82 -1.00 0.00 0.00 179.01 179.82 2j85 h ILE 101 N 0.71 1.26 0.00 3.13 2.04 -1.37 -2.79 117.51 120.49 2j85 h ILE 101 Ca 0.16 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2j85 h ILE 101 Cb 0.34 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2j85 h ILE 101 CO 0.00 0.37 0.00 0.11 0.00 0.00 0.00 178.15 178.63 2j85 h LYS 102 N 1.06 0.00 -0.49 2.37 1.57 -1.32 -1.29 116.57 118.47 2j85 h LYS 102 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2j85 h LYS 102 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2j85 h LYS 102 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 2j85 n ASP 103 N -3.03 0.47 0.00 0.86 8.00 -0.61 -1.34 116.55 120.91 2j85 n ASP 103 Ca 0.03 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.68 2j85 n ASP 103 Cb 0.45 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2j85 n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j85 n TYR 105 N 0.32 0.00 0.04 1.24 9.36 -0.49 0.48 117.16 128.11 2j85 n TYR 105 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 2j85 n TYR 105 Cb 0.11 0.00 0.35 0.00 -0.63 0.00 0.00 39.34 39.17 2j85 n TYR 105 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 2j85 h ARG 106 N 0.00 0.44 0.00 2.98 2.43 -1.48 -1.47 114.38 117.28 2j85 h ARG 106 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2j85 h ARG 106 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2j85 h ARG 106 CO 0.00 0.46 0.00 1.04 -1.51 0.00 0.00 179.97 179.96 2j85 n GLN 107 N -4.32 0.01 -0.78 0.20 6.02 0.18 -4.89 117.38 113.79 2j85 n GLN 107 Ca 0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2j85 n GLN 107 Cb 0.21 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2j85 n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j85 n GLY 108 N 0.56 0.54 0.12 1.08 0.00 -0.55 -4.94 105.19 102.00 2j85 n GLY 108 Ca 0.05 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2j85 n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j85 h LYS 109 N 0.46 0.00 -5.51 1.61 1.57 -1.89 -3.44 116.57 109.37 2j85 h LYS 109 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 2j85 h LYS 109 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 31.99 2j85 h LYS 109 CO 0.00 0.00 -0.86 0.42 -0.57 0.00 0.00 179.45 178.44 2j85 s ILE 110 N -3.20 1.81 0.09 1.86 1.01 -1.26 -2.15 121.20 119.36 2j85 s ILE 110 Ca 0.06 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2j85 s ILE 110 Cb 0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2j85 s ILE 110 CO 0.69 0.51 -0.09 -0.44 0.00 0.00 0.00 174.94 175.61 2j85 s SER 111 N 0.10 1.29 0.03 3.58 0.01 -1.26 -4.69 113.70 112.77 2j85 s SER 111 Ca -0.09 -0.85 0.06 0.00 1.31 0.00 0.00 55.95 56.38 2j85 s SER 111 Cb -0.15 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 2j85 s SER 111 CO 0.05 -0.32 -0.16 -0.36 0.41 0.00 0.00 173.24 172.85 2j85 s PHE 112 N -2.72 1.45 0.05 2.43 0.40 -1.26 -4.42 117.98 113.90 2j85 s PHE 112 Ca 0.06 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 56.01 2j85 s PHE 112 Cb -0.01 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.63 2j85 s PHE 112 CO -0.01 0.05 0.04 0.71 0.70 0.00 0.00 175.22 176.70 2j85 s TYR 113 N -0.75 0.34 -0.03 0.36 1.51 0.02 -0.62 117.35 118.18 2j85 s TYR 113 Ca 0.04 -0.77 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 2j85 s TYR 113 Cb -0.08 -0.25 -0.01 0.00 -0.11 0.00 0.00 41.96 41.52 2j85 s TYR 113 CO 0.01 -0.38 -0.17 -2.00 -1.11 0.00 0.00 175.55 171.91 2j85 s GLU 114 N -3.22 1.62 -0.10 -0.62 2.12 -0.61 0.23 118.70 118.13 2j85 s GLU 114 Ca 0.00 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.76 2j85 s GLU 114 Cb 0.03 -1.46 0.01 0.00 0.26 0.00 0.00 34.13 32.97 2j85 s GLU 114 CO -0.07 0.27 -0.17 0.08 -0.54 0.00 0.00 175.26 174.83 2j85 s VAL 115 N -0.09 1.56 0.19 3.70 1.01 -0.04 -1.71 120.40 125.02 2j85 s VAL 115 Ca -0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2j85 s VAL 115 Cb -0.10 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2j85 s VAL 115 CO 0.01 0.45 0.16 -1.66 0.00 0.00 0.00 175.10 174.07 2j85 s TRP 116 N 0.75 0.95 0.01 5.22 -2.14 -0.39 -0.13 118.94 123.22 2j85 s TRP 116 Ca -0.11 -1.23 -0.25 0.00 2.66 0.00 0.00 56.10 57.16 2j85 s TRP 116 Cb -0.16 -0.42 -0.05 0.00 -3.10 0.00 0.00 33.47 29.74 2j85 s TRP 116 CO 0.02 -0.66 0.76 -1.01 -2.66 0.00 0.00 176.95 173.40 2j85 s HIS 117 N -4.11 3.69 0.02 1.66 3.76 -1.26 -0.12 115.29 118.93 2j85 s HIS 117 Ca 0.32 1.43 -0.30 0.00 -0.15 0.00 0.00 55.06 56.36 2j85 s HIS 117 Cb 0.06 -2.83 -0.09 0.00 1.11 0.00 0.00 32.58 30.83 2j85 s HIS 117 CO 0.09 0.21 1.98 1.58 -0.85 0.00 0.00 174.74 177.74 2j85 n HIS 118 N 3.13 2.49 0.00 1.40 -0.00 -0.44 -4.82 115.22 116.98 2j85 n HIS 118 Ca -0.02 -0.35 0.00 0.00 0.46 0.00 0.00 57.72 57.82 2j85 n HIS 118 Cb 0.51 -2.79 0.00 0.00 -0.12 0.00 0.00 29.99 27.58 2j85 n HIS 118 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41