#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja5 n THR 3 N 0.00 0.00 -1.42 12.58 -1.04 -1.26 -4.81 114.28 118.33 2ja5 n THR 3 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 2ja5 n THR 3 Cb 0.00 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 68.73 2ja5 n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2ja5 s PHE 4 N -0.10 0.82 0.15 -1.42 -0.12 -1.26 -5.10 117.98 110.95 2ja5 s PHE 4 Ca 0.00 0.39 0.04 0.00 -0.05 0.00 0.00 56.93 57.31 2ja5 s PHE 4 Cb 0.00 -3.74 -0.04 0.00 -0.63 0.00 0.00 43.02 38.60 2ja5 s PHE 4 CO 0.00 -3.45 -0.09 0.50 -0.05 0.00 0.00 175.22 172.13 2ja5 s ARG 5 N -5.63 1.04 0.23 1.99 3.52 -1.26 -5.16 118.95 113.68 2ja5 s ARG 5 Ca 0.73 -1.45 0.10 0.00 -0.13 0.00 0.00 55.73 54.97 2ja5 s ARG 5 Cb -0.07 -0.54 -0.04 0.00 -1.56 0.00 0.00 34.95 32.74 2ja5 s ARG 5 CO 0.55 0.04 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.95 2ja5 s PHE 6 N -3.39 2.62 0.92 5.12 2.99 -1.26 -3.92 117.98 121.06 2ja5 s PHE 6 Ca 0.17 -0.24 -0.15 0.00 0.00 0.00 0.00 56.93 56.72 2ja5 s PHE 6 Cb 0.03 -1.21 0.17 0.00 0.00 0.00 0.00 43.02 42.02 2ja5 s PHE 6 CO 0.00 0.59 1.29 0.00 -0.00 0.00 0.00 175.22 177.10 2ja5 n ARG 8 N -3.65 1.78 0.00 0.00 1.74 -1.26 -3.86 116.66 111.41 2ja5 n ARG 8 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2ja5 n ARG 8 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 2ja5 n ARG 8 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2ja5 n ASP 9 N -0.08 0.00 -2.15 0.55 5.75 -1.26 -2.17 116.55 117.18 2ja5 n ASP 9 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.52 2ja5 n ASP 9 Cb 0.00 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.20 2ja5 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ja5 n ASN 11 N -0.74 0.00 0.00 0.00 5.15 -0.92 -4.88 115.26 113.87 2ja5 n ASN 11 Ca 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 2ja5 n ASN 11 Cb 1.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.26 2ja5 n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ja5 n ASN 12 N 0.00 0.00 -4.77 1.20 5.03 -1.26 -4.92 115.26 110.53 2ja5 n ASN 12 Ca 0.00 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.22 2ja5 n ASN 12 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 2ja5 n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2ja5 s MET 13 N 4.65 2.77 -0.17 3.52 -2.45 -1.26 -4.23 119.30 122.13 2ja5 s MET 13 Ca 0.00 -1.08 0.01 0.00 -1.25 0.00 0.00 55.69 53.36 2ja5 s MET 13 Cb 0.00 -2.49 0.02 0.00 1.25 0.00 0.00 34.83 33.61 2ja5 s MET 13 CO 0.00 0.42 -0.15 -0.51 1.05 0.00 0.00 175.02 175.82 2ja5 s LEU 14 N -3.59 1.91 -0.06 4.11 1.43 -1.25 -4.53 118.68 116.70 2ja5 s LEU 14 Ca 0.32 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2ja5 s LEU 14 Cb -0.08 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2ja5 s LEU 14 CO 0.23 -0.05 0.19 -0.31 0.23 0.00 0.00 176.35 176.65 2ja5 s TYR 15 N 1.41 3.60 0.45 0.29 1.51 -0.81 -4.72 117.35 119.08 2ja5 s TYR 15 Ca 0.04 0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 56.56 2ja5 s TYR 15 Cb -0.13 -1.95 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 2ja5 s TYR 15 CO -0.11 0.69 0.79 -1.25 -1.11 0.00 0.00 175.55 174.56 2ja5 s PRO 16 N -1.37 3.66 0.27 -1.71 0.04 -1.26 -0.55 135.00 134.07 2ja5 s PRO 16 Ca 0.21 0.36 -0.10 0.00 0.04 0.00 0.00 61.00 61.51 2ja5 s PRO 16 Cb -0.13 -2.37 -0.00 0.00 0.04 0.00 0.00 34.50 32.04 2ja5 s PRO 16 CO 0.10 -0.15 0.45 1.03 0.04 0.00 0.00 177.00 178.48 2ja5 s ARG 17 N -4.34 1.61 -0.03 4.56 0.52 0.09 -4.94 118.95 116.42 2ja5 s ARG 17 Ca 0.50 -1.39 0.07 0.00 -0.52 0.00 0.00 55.73 54.39 2ja5 s ARG 17 Cb -0.10 0.45 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 2ja5 s ARG 17 CO 0.39 -0.66 -0.25 -2.00 0.02 0.00 0.00 175.30 172.80 2ja5 s GLU 18 N -3.79 2.20 -0.78 3.54 2.12 -1.26 -2.29 118.70 118.44 2ja5 s GLU 18 Ca 0.25 -0.91 -0.20 0.00 0.36 0.00 0.00 54.97 54.47 2ja5 s GLU 18 Cb 0.00 -2.08 0.10 0.00 0.26 0.00 0.00 34.13 32.42 2ja5 s GLU 18 CO 0.12 0.54 1.01 0.34 -0.54 0.00 0.00 175.26 176.72 2ja5 s ASP 19 N -0.55 6.39 0.08 -1.70 -1.08 -0.36 -4.92 116.67 114.53 2ja5 s ASP 19 Ca 0.08 -1.55 -0.36 0.00 -0.52 0.00 0.00 52.55 50.20 2ja5 s ASP 19 Cb -0.11 -2.39 -0.17 0.00 -1.46 0.00 0.00 42.92 38.79 2ja5 s ASP 19 CO -0.00 -1.22 1.57 0.11 0.52 0.00 0.00 175.17 176.14 2ja5 h LYS 20 N 9.17 -1.00 -0.07 4.34 1.57 -1.97 -0.36 116.57 128.25 2ja5 h LYS 20 Ca -0.08 0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2ja5 h LYS 20 Cb 1.05 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 2ja5 h LYS 20 CO 1.14 -0.67 0.06 1.49 -0.57 0.00 0.00 179.45 180.90 2ja5 h GLU 21 N -1.04 0.00 -0.03 3.15 4.81 -1.99 -3.08 114.58 116.41 2ja5 h GLU 21 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2ja5 h GLU 21 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2ja5 h GLU 21 CO -0.03 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.34 2ja5 n ASN 22 N -4.05 1.89 -2.96 1.04 3.02 -1.13 -5.05 115.26 108.02 2ja5 n ASN 22 Ca -0.01 -1.45 -0.01 0.00 -0.03 0.00 0.00 54.58 53.07 2ja5 n ASN 22 Cb 0.16 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 2ja5 n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ja5 n ASN 23 N 0.57 -7.59 -3.54 6.41 4.13 -0.16 -5.05 115.26 110.03 2ja5 n ASN 23 Ca 0.06 0.04 -0.07 0.00 1.68 0.00 0.00 54.58 56.28 2ja5 n ASN 23 Cb 0.26 -5.15 -0.02 0.00 -1.54 0.00 0.00 39.78 33.33 2ja5 n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ja5 s ARG 24 N -2.92 0.83 -0.11 3.52 1.70 -1.20 -5.01 118.95 115.76 2ja5 s ARG 24 Ca 0.04 -0.33 -0.10 0.00 -0.47 0.00 0.00 55.73 54.87 2ja5 s ARG 24 Cb -0.01 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 2ja5 s ARG 24 CO 0.72 -0.37 0.22 -1.17 -1.08 0.00 0.00 175.30 173.63 2ja5 s LEU 25 N -2.53 4.37 -0.03 -1.89 2.96 -1.26 -1.23 118.68 119.07 2ja5 s LEU 25 Ca 0.06 0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 54.54 2ja5 s LEU 25 Cb -0.01 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.47 2ja5 s LEU 25 CO -0.07 0.32 0.02 -0.76 -1.32 0.00 0.00 176.35 174.54 2ja5 s LEU 26 N -0.68 0.92 0.82 -0.68 1.43 -0.97 -0.33 118.68 119.19 2ja5 s LEU 26 Ca 0.17 0.00 -0.08 0.00 -1.03 0.00 0.00 54.13 53.19 2ja5 s LEU 26 Cb -0.13 -0.18 0.15 0.00 0.03 0.00 0.00 46.19 46.06 2ja5 s LEU 26 CO 0.06 -0.14 1.14 -0.36 0.23 0.00 0.00 176.35 177.27 2ja5 s PHE 27 N 1.30 1.66 0.01 0.29 2.99 -0.27 -0.74 117.98 123.22 2ja5 s PHE 27 Ca -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 56.93 56.87 2ja5 s PHE 27 Cb -0.13 -3.48 0.00 0.00 0.00 0.00 0.00 43.02 39.41 2ja5 s PHE 27 CO -0.03 -2.09 0.06 -0.85 -0.00 0.00 0.00 175.22 172.31 2ja5 n GLU 28 N -3.24 0.03 -4.22 0.44 0.28 0.28 -2.43 120.64 111.79 2ja5 n GLU 28 Ca 0.15 -0.07 -0.19 0.00 -0.16 0.00 0.00 57.16 56.88 2ja5 n GLU 28 Cb 0.60 0.10 -0.12 0.00 1.43 0.00 0.00 31.44 33.45 2ja5 n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ja5 n ARG 30 N 1.01 1.60 0.03 0.00 1.74 -1.26 -4.54 116.66 115.23 2ja5 n ARG 30 Ca -0.19 -3.27 0.00 0.00 -0.77 0.00 0.00 57.85 53.62 2ja5 n ARG 30 Cb 0.55 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2ja5 n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2ja5 n THR 31 N -1.13 0.36 0.00 0.55 -1.04 -1.26 -5.06 114.28 106.70 2ja5 n THR 31 Ca 0.20 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 2ja5 n THR 31 Cb 0.72 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 2ja5 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ja5 n SER 33 N 0.00 0.00 -4.04 0.00 7.64 -1.26 -4.91 113.62 111.05 2ja5 n SER 33 Ca 0.00 -1.00 -0.37 0.00 1.01 0.00 0.00 58.87 58.52 2ja5 n SER 33 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2ja5 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ja5 n TYR 34 N 0.00 -4.10 -3.63 1.43 -0.00 -1.26 -4.78 117.16 104.82 2ja5 n TYR 34 Ca 0.00 0.18 -0.03 0.00 -0.00 0.00 0.00 57.90 58.05 2ja5 n TYR 34 Cb 0.25 -1.52 -0.05 0.00 -0.00 0.00 0.00 39.34 38.02 2ja5 n TYR 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2ja5 s VAL 35 N -1.96 -0.58 0.04 2.97 1.01 -1.26 -3.22 120.40 117.40 2ja5 s VAL 35 Ca 0.47 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.52 2ja5 s VAL 35 Cb -0.32 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2ja5 s VAL 35 CO 0.74 0.00 -0.19 -1.83 0.00 0.00 0.00 175.10 173.82 2ja5 s GLU 36 N 2.37 1.28 0.91 2.72 -1.05 -1.02 -4.97 118.70 118.94 2ja5 s GLU 36 Ca -0.07 -0.90 -0.11 0.00 -0.15 0.00 0.00 54.97 53.73 2ja5 s GLU 36 Cb -0.09 -1.37 0.10 0.00 -0.44 0.00 0.00 34.13 32.33 2ja5 s GLU 36 CO -0.19 0.35 0.91 -0.85 0.95 0.00 0.00 175.26 176.43 2ja5 n GLU 37 N 1.85 -0.32 -1.88 -4.83 0.28 -1.26 -1.11 120.64 113.36 2ja5 n GLU 37 Ca -0.17 -0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.37 2ja5 n GLU 37 Cb 0.54 -2.21 -0.03 0.00 1.43 0.00 0.00 31.44 31.16 2ja5 n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ja5 s ALA 38 N -2.49 3.69 0.14 -1.84 0.00 0.55 -4.63 121.76 117.18 2ja5 s ALA 38 Ca 0.65 1.24 -0.13 0.00 0.00 0.00 0.00 51.96 53.72 2ja5 s ALA 38 Cb -0.23 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.18 2ja5 s ALA 38 CO 0.60 -1.16 1.62 0.78 0.00 0.00 0.00 175.76 177.60 2ja5 h GLY 39 N 8.72 0.87 -3.41 0.00 0.00 -1.90 -3.46 103.07 103.89 2ja5 h GLY 39 Ca -0.43 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.26 2ja5 h GLY 39 CO 0.93 0.55 0.14 -0.45 0.00 0.00 0.00 176.54 177.72 2ja5 s SER 40 N -6.24 -0.53 0.00 0.19 0.15 -1.26 -5.05 113.70 100.96 2ja5 s SER 40 Ca -0.13 0.19 0.18 0.00 0.70 0.00 0.00 55.95 56.90 2ja5 s SER 40 Cb 0.11 0.55 0.91 0.00 -1.71 0.00 0.00 66.02 65.88 2ja5 s SER 40 CO 0.80 -0.81 1.53 -0.81 1.20 0.00 0.00 173.24 175.16 2ja5 n PRO 41 N 0.14 0.27 -2.66 5.44 -0.04 -1.26 -4.65 135.00 132.24 2ja5 n PRO 41 Ca -0.18 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 2ja5 n PRO 41 Cb 0.62 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2ja5 n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2ja5 s LEU 42 N -2.54 3.61 -0.03 1.53 2.96 -1.26 -4.88 118.68 118.07 2ja5 s LEU 42 Ca 0.17 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 2ja5 s LEU 42 Cb 0.12 -2.58 -0.29 0.00 0.50 0.00 0.00 46.19 43.94 2ja5 s LEU 42 CO 0.27 -1.65 0.73 0.58 -1.32 0.00 0.00 176.35 174.95 2ja5 h VAL 43 N 6.02 1.00 -3.08 1.68 2.07 -1.99 -3.47 116.25 118.48 2ja5 h VAL 43 Ca -0.28 -2.63 -0.15 0.00 0.82 0.00 0.00 66.70 64.46 2ja5 h VAL 43 Cb 1.06 2.72 -0.24 0.00 -1.52 0.00 0.00 31.29 33.31 2ja5 h VAL 43 CO 1.23 0.83 -0.38 -0.47 0.02 0.00 0.00 177.57 178.79 2ja5 s TYR 44 N -2.59 -0.27 0.01 1.57 5.04 -1.26 -5.06 117.35 114.78 2ja5 s TYR 44 Ca -0.13 0.65 0.02 0.00 -2.44 0.00 0.00 57.07 55.17 2ja5 s TYR 44 Cb 0.06 0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.46 2ja5 s TYR 44 CO 0.85 -0.18 -0.07 0.50 -1.34 0.00 0.00 175.55 175.31 2ja5 s ARG 45 N -0.10 0.51 -0.18 4.97 3.52 -1.26 -5.07 118.95 121.34 2ja5 s ARG 45 Ca -0.02 -0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 55.13 2ja5 s ARG 45 Cb -0.03 -0.43 -0.08 0.00 -1.56 0.00 0.00 34.95 32.85 2ja5 s ARG 45 CO 0.01 0.11 -0.21 1.58 -0.81 0.00 0.00 175.30 175.98 2ja5 n HIS 46 N 2.49 0.00 -2.30 5.12 -0.00 -1.26 -5.12 115.22 114.16 2ja5 n HIS 46 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2ja5 n HIS 46 Cb 0.57 -0.64 0.00 0.00 -0.00 0.00 0.00 29.99 29.92 2ja5 n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2ja5 n GLU 47 N -3.61 -4.33 -0.06 1.57 2.13 -1.26 -5.02 120.64 110.07 2ja5 n GLU 47 Ca -0.34 3.13 -0.05 0.00 0.66 0.00 0.00 57.16 60.56 2ja5 n GLU 47 Cb 0.76 -4.00 -0.02 0.00 0.27 0.00 0.00 31.44 28.45 2ja5 n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2ja5 n LEU 48 N 1.89 1.35 -4.53 4.31 4.77 -1.26 -4.71 117.00 118.81 2ja5 n LEU 48 Ca 0.00 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 2ja5 n LEU 48 Cb 0.00 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 2ja5 n LEU 48 CO 0.00 -0.38 1.26 -0.63 -1.33 0.00 0.00 177.39 176.31 2ja5 s ILE 49 N -2.21 4.03 0.52 -0.08 1.01 -1.26 -4.99 121.20 118.23 2ja5 s ILE 49 Ca -0.17 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 2ja5 s ILE 49 Cb 0.02 -4.95 -0.07 0.00 0.01 0.00 0.00 42.46 37.48 2ja5 s ILE 49 CO 0.26 -1.81 0.95 -0.89 0.00 0.00 0.00 174.94 173.45 2ja5 s THR 50 N 4.72 4.64 0.00 2.92 2.01 -1.26 -4.98 115.64 123.69 2ja5 s THR 50 Ca 0.39 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.38 2ja5 s THR 50 Cb -0.04 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.70 2ja5 s THR 50 CO -0.02 -0.78 0.13 0.59 -0.69 0.00 0.00 174.62 173.85 2ja5 n ASN 51 N -1.84 0.25 -4.64 3.53 4.13 -1.26 -5.05 115.26 110.39 2ja5 n ASN 51 Ca 0.05 -0.86 -0.40 0.00 1.68 0.00 0.00 54.58 55.05 2ja5 n ASN 51 Cb 0.54 0.05 -0.06 0.00 -1.54 0.00 0.00 39.78 38.77 2ja5 n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2ja5 s ILE 52 N -0.05 5.00 0.00 2.41 -4.36 -1.26 -3.54 121.20 119.40 2ja5 s ILE 52 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 60.65 61.54 2ja5 s ILE 52 Cb 0.00 -3.94 0.00 0.00 1.25 0.00 0.00 42.46 39.77 2ja5 s ILE 52 CO 0.00 0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.84 2ja5 n GLY 53 N 4.04 1.15 0.35 6.27 0.00 -1.26 -4.94 105.19 110.80 2ja5 n GLY 53 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 2ja5 n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ja5 h GLU 54 N 0.00 0.00 -1.75 1.61 5.08 -1.92 -2.94 114.58 114.66 2ja5 h GLU 54 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 2ja5 h GLU 54 Cb 0.00 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 28.88 2ja5 h GLU 54 CO 0.00 0.00 -1.09 2.41 -1.00 0.00 0.00 179.01 179.33 2ja5 n THR 55 N -3.78 -0.21 -2.05 1.13 -1.04 -1.26 -3.74 114.28 103.32 2ja5 n THR 55 Ca 0.03 -4.13 -0.33 0.00 -2.04 0.00 0.00 64.05 57.58 2ja5 n THR 55 Cb 0.42 -0.25 0.02 0.00 -1.82 0.00 0.00 70.33 68.70 2ja5 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ja5 s ALA 56 N -1.93 2.66 0.00 2.41 0.00 -1.11 -4.59 121.76 119.20 2ja5 s ALA 56 Ca 0.37 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2ja5 s ALA 56 Cb 0.32 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2ja5 s ALA 56 CO -0.08 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.19 2ja5 n GLY 57 N -0.53 0.00 2.57 0.00 0.00 -1.26 -4.90 105.19 101.07 2ja5 n GLY 57 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2ja5 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ja5 n VAL 58 N 1.47 1.63 -1.30 1.61 0.31 -1.26 -5.06 118.33 115.72 2ja5 n VAL 58 Ca 0.00 -4.43 -0.39 0.00 -0.01 0.00 0.00 64.34 59.51 2ja5 n VAL 58 Cb 0.00 -0.52 0.02 0.00 -0.91 0.00 0.00 33.84 32.43 2ja5 n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ja5 n VAL 59 N -0.17 0.68 0.21 2.52 0.31 -1.26 -4.71 118.33 115.92 2ja5 n VAL 59 Ca 0.26 -0.50 0.01 0.00 -0.01 0.00 0.00 64.34 64.11 2ja5 n VAL 59 Cb 0.66 -0.21 0.09 0.00 -0.91 0.00 0.00 33.84 33.46 2ja5 n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ja5 n GLN 60 N 1.04 0.11 0.00 5.55 -0.06 -1.26 -0.62 117.38 122.13 2ja5 n GLN 60 Ca 0.09 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.18 2ja5 n GLN 60 Cb 0.47 -1.43 -0.04 0.00 -4.06 0.00 0.00 30.24 25.18 2ja5 n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2ja5 n ASP 61 N -0.93 1.58 0.00 1.69 8.00 -1.26 -4.45 116.55 121.17 2ja5 n ASP 61 Ca 0.02 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2ja5 n ASP 61 Cb 0.01 0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2ja5 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ja5 n ILE 62 N -0.50 0.03 0.19 0.53 3.06 0.21 0.14 119.36 123.02 2ja5 n ILE 62 Ca 0.07 0.01 0.10 0.00 -2.50 0.00 0.00 62.75 60.43 2ja5 n ILE 62 Cb 0.38 -1.01 -0.14 0.00 0.54 0.00 0.00 39.64 39.41 2ja5 n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2ja5 n GLY 63 N -0.91 -0.89 0.38 4.50 0.00 -1.26 -4.18 105.19 102.83 2ja5 n GLY 63 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.64 2ja5 n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ja5 n SER 64 N -2.03 1.15 -4.53 1.61 3.41 0.36 -4.76 113.62 108.83 2ja5 n SER 64 Ca -0.02 -1.59 -0.42 0.00 -0.26 0.00 0.00 58.87 56.58 2ja5 n SER 64 Cb 0.47 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 2ja5 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ja5 s ASP 65 N -1.62 6.29 0.30 4.04 -1.08 -1.23 -4.96 116.67 118.40 2ja5 s ASP 65 Ca 0.32 -0.26 0.01 0.00 -0.52 0.00 0.00 52.55 52.10 2ja5 s ASP 65 Cb 0.17 -2.27 0.46 0.00 -1.46 0.00 0.00 42.92 39.81 2ja5 s ASP 65 CO 0.26 -0.58 1.82 1.55 0.52 0.00 0.00 175.17 178.74 2ja5 h PRO 66 N 8.63 0.68 0.00 4.34 0.13 -1.94 -3.12 132.00 140.73 2ja5 h PRO 66 Ca -0.27 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ja5 h PRO 66 Cb 1.11 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2ja5 h PRO 66 CO 0.81 0.69 0.01 1.79 -0.23 0.00 0.00 178.00 181.06 2ja5 h THR 67 N 0.65 0.00 -3.58 1.56 1.35 -1.99 -3.43 112.91 107.46 2ja5 h THR 67 Ca 0.13 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.50 2ja5 h THR 67 Cb 0.37 0.66 0.02 0.00 -1.73 0.00 0.00 68.15 67.46 2ja5 h THR 67 CO 0.01 0.00 0.08 -0.76 -0.25 0.00 0.00 175.52 174.60 2ja5 s LEU 68 N -5.07 3.77 0.43 3.87 1.43 -1.18 -5.09 118.68 116.84 2ja5 s LEU 68 Ca -0.03 1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.97 2ja5 s LEU 68 Cb 0.09 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 2ja5 s LEU 68 CO 0.27 -0.45 0.79 -2.16 0.23 0.00 0.00 176.35 175.03 2ja5 s PRO 69 N -4.18 3.73 0.05 1.29 0.04 -1.26 -5.02 135.00 129.65 2ja5 s PRO 69 Ca 0.49 0.45 0.08 0.00 0.04 0.00 0.00 61.00 62.06 2ja5 s PRO 69 Cb -0.10 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 2ja5 s PRO 69 CO 0.37 -0.10 -0.23 1.03 0.04 0.00 0.00 177.00 178.11 2ja5 s ARG 70 N -4.07 1.53 0.18 4.56 1.81 -1.26 -3.04 118.95 118.66 2ja5 s ARG 70 Ca 0.51 -1.02 0.06 0.00 -1.72 0.00 0.00 55.73 53.57 2ja5 s ARG 70 Cb -0.10 -1.68 -0.05 0.00 -0.45 0.00 0.00 34.95 32.67 2ja5 s ARG 70 CO 0.35 0.43 -0.12 -1.54 -0.68 0.00 0.00 175.30 173.73 2ja5 s SER 71 N -1.23 2.20 -0.35 0.23 1.04 -0.91 -5.00 113.70 109.68 2ja5 s SER 71 Ca 0.09 -1.02 0.07 0.00 0.48 0.00 0.00 55.95 55.57 2ja5 s SER 71 Cb -0.09 -0.08 0.57 0.00 0.10 0.00 0.00 66.02 66.52 2ja5 s SER 71 CO 0.02 -0.25 1.63 -0.90 0.98 0.00 0.00 173.24 174.72 2ja5 n ASP 72 N -0.30 3.01 -4.43 7.02 5.75 -1.26 -3.13 116.55 123.21 2ja5 n ASP 72 Ca -0.09 -3.69 -0.28 0.00 -0.01 0.00 0.00 54.79 50.72 2ja5 n ASP 72 Cb 0.61 -0.71 0.14 0.00 -1.03 0.00 0.00 41.12 40.13 2ja5 n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ja5 s ARG 73 N -3.25 1.20 -0.08 0.11 0.52 -1.26 -4.88 118.95 111.31 2ja5 s ARG 73 Ca 0.49 -0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.27 2ja5 s ARG 73 Cb 0.43 -1.99 -0.02 0.00 0.52 0.00 0.00 34.95 33.89 2ja5 s ARG 73 CO 0.04 -1.98 -0.17 -1.83 0.02 0.00 0.00 175.30 171.38 2ja5 s GLU 74 N -5.63 2.87 0.89 3.54 -1.05 -1.26 -4.15 118.70 113.91 2ja5 s GLU 74 Ca 0.69 -0.76 -0.11 0.00 -0.15 0.00 0.00 54.97 54.65 2ja5 s GLU 74 Cb -0.06 -2.41 0.13 0.00 -0.44 0.00 0.00 34.13 31.35 2ja5 s GLU 74 CO 0.50 0.38 1.11 0.00 0.95 0.00 0.00 175.26 178.21 2ja5 h PRO 76 N -1.67 0.00 0.00 0.00 0.11 -1.99 -3.30 132.00 125.15 2ja5 h PRO 76 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ja5 h PRO 76 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ja5 h PRO 76 CO 0.47 0.05 0.00 1.63 -0.21 0.00 0.00 178.00 179.94 2ja5 n LYS 77 N -3.58 0.00 0.23 1.05 5.02 -1.26 -4.84 118.16 114.78 2ja5 n LYS 77 Ca -0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.30 2ja5 n LYS 77 Cb 0.16 -0.11 0.19 0.00 -0.02 0.00 0.00 35.03 35.25 2ja5 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ja5 n HIS 79 N -2.14 -0.24 -1.42 0.00 8.25 -1.24 -4.90 115.22 113.52 2ja5 n HIS 79 Ca -0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2ja5 n HIS 79 Cb 0.66 -0.75 0.14 0.00 1.12 0.00 0.00 29.99 31.17 2ja5 n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2ja5 s SER 80 N -0.39 3.31 -0.38 0.41 0.01 -1.26 -4.70 113.70 110.71 2ja5 s SER 80 Ca 0.00 1.06 0.08 0.00 1.31 0.00 0.00 55.95 58.40 2ja5 s SER 80 Cb 0.00 -1.68 0.44 0.00 0.21 0.00 0.00 66.02 64.99 2ja5 s SER 80 CO 0.00 -2.68 1.12 0.54 0.41 0.00 0.00 173.24 172.63 2ja5 n ARG 81 N -3.87 3.21 -3.51 12.44 1.74 -1.26 -3.68 116.66 121.74 2ja5 n ARG 81 Ca 0.06 -4.25 -0.29 0.00 -0.77 0.00 0.00 57.85 52.60 2ja5 n ARG 81 Cb 0.58 -2.14 -0.14 0.00 -1.02 0.00 0.00 32.46 29.74 2ja5 n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ja5 s GLU 82 N -3.53 0.33 0.11 5.56 2.02 -1.26 -4.68 118.70 117.24 2ja5 s GLU 82 Ca 0.46 -0.83 0.10 0.00 0.02 0.00 0.00 54.97 54.72 2ja5 s GLU 82 Cb 0.40 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.38 2ja5 s GLU 82 CO -0.09 -1.09 -0.26 -0.80 0.02 0.00 0.00 175.26 173.04 2ja5 s ASN 83 N 1.71 3.16 -0.27 -0.19 0.01 -1.18 -2.09 114.94 116.08 2ja5 s ASN 83 Ca 0.12 -0.72 -0.03 0.00 -0.71 0.00 0.00 52.86 51.53 2ja5 s ASN 83 Cb -0.19 -0.21 0.09 0.00 0.41 0.00 0.00 41.25 41.35 2ja5 s ASN 83 CO -0.23 0.17 0.09 0.54 -1.51 0.00 0.00 177.10 176.17 2ja5 s VAL 84 N -1.04 0.43 0.49 1.60 0.11 -1.19 -2.14 120.40 118.66 2ja5 s VAL 84 Ca 0.12 -0.92 0.09 0.00 -2.93 0.00 0.00 61.98 58.34 2ja5 s VAL 84 Cb -0.10 -1.23 0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2ja5 s VAL 84 CO 0.05 -0.56 0.67 0.72 -3.33 0.00 0.00 175.10 172.65 2ja5 s PHE 85 N 1.86 2.19 0.00 1.54 -0.00 -1.17 -3.54 117.98 118.86 2ja5 s PHE 85 Ca 0.06 -0.55 0.00 0.00 -0.00 0.00 0.00 56.93 56.45 2ja5 s PHE 85 Cb -0.17 -2.30 0.00 0.00 -0.00 0.00 0.00 43.02 40.55 2ja5 s PHE 85 CO -0.24 -0.74 0.00 1.97 -0.00 0.00 0.00 175.22 176.21 2ja5 n PHE 86 N -2.02 0.00 -4.29 3.49 1.16 -1.18 -4.29 117.46 110.34 2ja5 n PHE 86 Ca 0.11 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.54 2ja5 n PHE 86 Cb 0.60 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.37 2ja5 n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2ja5 s GLN 87 N 1.02 1.18 -0.38 3.97 -0.21 -1.26 -3.08 119.66 120.89 2ja5 s GLN 87 Ca 0.00 -1.53 -0.44 0.00 0.02 0.00 0.00 55.36 53.41 2ja5 s GLN 87 Cb 0.00 -0.74 -0.19 0.00 1.00 0.00 0.00 33.01 33.08 2ja5 s GLN 87 CO 0.00 0.07 1.57 0.45 -2.12 0.00 0.00 175.29 175.26 2ja5 n SER 88 N -0.28 1.37 0.00 5.90 2.88 -1.26 -4.78 113.62 117.44 2ja5 n SER 88 Ca -0.09 1.16 0.12 0.00 -1.33 0.00 0.00 58.87 58.73 2ja5 n SER 88 Cb 0.61 -0.95 0.72 0.00 -0.75 0.00 0.00 64.21 63.84 2ja5 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ja5 n GLN 89 N 4.02 0.78 -2.53 -1.46 1.13 -1.24 -4.56 117.38 113.52 2ja5 n GLN 89 Ca 0.29 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.94 2ja5 n GLN 89 Cb 0.00 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 2ja5 n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2ja5 s GLN 90 N -2.00 3.19 -0.64 -1.09 0.74 -1.25 -4.88 119.66 113.73 2ja5 s GLN 90 Ca 0.36 -0.17 -0.20 0.00 0.05 0.00 0.00 55.36 55.40 2ja5 s GLN 90 Cb 0.17 -4.18 -0.17 0.00 1.10 0.00 0.00 33.01 29.93 2ja5 s GLN 90 CO 0.28 -2.14 1.86 0.54 -0.55 0.00 0.00 175.29 175.28 2ja5 n ARG 91 N 9.31 1.29 -4.33 1.67 5.12 -1.26 -4.86 116.66 123.60 2ja5 n ARG 91 Ca 0.04 -1.59 -0.25 0.00 -1.93 0.00 0.00 57.85 54.13 2ja5 n ARG 91 Cb 0.49 -2.73 -0.09 0.00 -1.16 0.00 0.00 32.46 28.97 2ja5 n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2ja5 s ARG 92 N 5.06 2.08 -0.03 5.56 3.52 -1.26 -5.07 118.95 128.81 2ja5 s ARG 92 Ca 0.53 -1.42 -0.10 0.00 -0.13 0.00 0.00 55.73 54.61 2ja5 s ARG 92 Cb 0.13 -2.09 -0.05 0.00 -1.56 0.00 0.00 34.95 31.38 2ja5 s ARG 92 CO 0.12 0.39 0.52 0.87 -0.81 0.00 0.00 175.30 176.39 2ja5 h LYS 93 N 2.37 -0.34 0.00 5.12 1.57 -2.04 -3.30 116.57 119.95 2ja5 h LYS 93 Ca -0.44 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2ja5 h LYS 93 Cb 1.23 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2ja5 h LYS 93 CO 0.58 -0.23 0.16 0.38 -0.57 0.00 0.00 179.45 179.77 2ja5 h ASP 94 N -0.80 0.00 -2.76 0.86 2.03 -1.98 -3.44 116.42 110.32 2ja5 h ASP 94 Ca -0.04 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.67 2ja5 h ASP 94 Cb 0.27 0.00 0.14 0.00 -0.83 0.00 0.00 39.33 38.91 2ja5 h ASP 94 CO 0.06 0.00 -0.12 0.41 -1.03 0.00 0.00 179.24 178.56 2ja5 n THR 95 N -2.23 2.24 -2.07 1.15 -1.04 -1.25 -4.99 114.28 106.10 2ja5 n THR 95 Ca -0.01 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.22 2ja5 n THR 95 Cb 0.19 -0.85 0.12 0.00 -1.82 0.00 0.00 70.33 67.97 2ja5 n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2ja5 s SER 96 N -0.90 4.01 -0.52 8.00 1.04 -1.26 -5.04 113.70 119.04 2ja5 s SER 96 Ca 0.65 0.36 0.03 0.00 0.48 0.00 0.00 55.95 57.46 2ja5 s SER 96 Cb -0.56 -0.70 0.43 0.00 0.10 0.00 0.00 66.02 65.28 2ja5 s SER 96 CO 0.56 -2.15 1.53 0.23 0.98 0.00 0.00 173.24 174.39 2ja5 n MET 97 N -3.34 3.19 -3.18 4.02 2.81 -1.26 -4.72 117.12 114.64 2ja5 n MET 97 Ca 0.12 -3.91 -0.30 0.00 -1.81 0.00 0.00 57.70 51.79 2ja5 n MET 97 Cb 0.60 -2.27 -0.04 0.00 -0.71 0.00 0.00 33.22 30.80 2ja5 n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2ja5 s VAL 98 N -4.96 4.90 -0.09 2.03 1.01 -1.26 -5.05 120.40 116.98 2ja5 s VAL 98 Ca 0.54 0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 2ja5 s VAL 98 Cb 0.44 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2ja5 s VAL 98 CO -0.11 -0.33 0.22 -0.76 0.00 0.00 0.00 175.10 174.12 2ja5 s LEU 99 N -3.47 4.40 -0.26 3.92 1.43 -1.26 -4.27 118.68 119.17 2ja5 s LEU 99 Ca 0.48 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 54.11 2ja5 s LEU 99 Cb -0.11 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 2ja5 s LEU 99 CO 0.28 0.36 0.06 -0.36 0.23 0.00 0.00 176.35 176.91 2ja5 s PHE 100 N -0.89 3.09 0.30 0.29 0.40 -1.18 -1.32 117.98 118.68 2ja5 s PHE 100 Ca 0.17 -0.73 0.07 0.00 -0.60 0.00 0.00 56.93 55.83 2ja5 s PHE 100 Cb -0.13 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 2ja5 s PHE 100 CO 0.06 -0.48 0.36 -0.06 0.70 0.00 0.00 175.22 175.80 2ja5 s PHE 101 N 1.55 3.12 -0.05 0.36 0.40 0.13 -3.08 117.98 120.41 2ja5 s PHE 101 Ca 0.05 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 2ja5 s PHE 101 Cb -0.16 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 41.63 2ja5 s PHE 101 CO 0.02 0.21 0.01 0.08 0.70 0.00 0.00 175.22 176.24 2ja5 s VAL 102 N -2.17 0.21 0.07 -0.44 1.01 -1.23 -2.87 120.40 114.98 2ja5 s VAL 102 Ca 0.40 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 2ja5 s VAL 102 Cb -0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.87 2ja5 s VAL 102 CO 0.28 0.20 1.32 0.00 0.00 0.00 0.00 175.10 176.90 2ja5 n LEU 104 N 4.26 0.06 -2.89 0.00 4.77 -0.89 -2.02 117.00 120.29 2ja5 n LEU 104 Ca 0.11 0.44 -0.25 0.00 -0.03 0.00 0.00 56.01 56.28 2ja5 n LEU 104 Cb 0.44 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2ja5 n LEU 104 CO 0.57 0.01 0.11 -1.20 -1.33 0.00 0.00 177.39 175.55 2ja5 n SER 105 N -1.49 4.03 0.00 -1.43 7.64 -1.26 -4.79 113.62 116.31 2ja5 n SER 105 Ca 0.07 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.36 2ja5 n SER 105 Cb 0.34 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2ja5 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ja5 n SER 107 N 0.00 -1.59 -4.95 0.00 7.64 -0.86 -5.02 113.62 108.84 2ja5 n SER 107 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2ja5 n SER 107 Cb 0.00 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 62.74 2ja5 n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2ja5 s HIS 108 N -2.70 3.44 -0.71 1.43 5.65 -1.26 -4.87 115.29 116.27 2ja5 s HIS 108 Ca 0.00 0.31 0.05 0.00 0.25 0.00 0.00 55.06 55.66 2ja5 s HIS 108 Cb 0.00 -1.97 0.20 0.00 -1.18 0.00 0.00 32.58 29.63 2ja5 s HIS 108 CO 0.00 0.04 0.60 -0.89 -0.65 0.00 0.00 174.74 173.84 2ja5 n ILE 109 N -1.83 2.00 -3.45 0.89 5.41 -1.26 -3.09 119.36 118.03 2ja5 n ILE 109 Ca -0.04 -5.01 -0.34 0.00 1.00 0.00 0.00 62.75 58.37 2ja5 n ILE 109 Cb 0.56 -2.18 -0.06 0.00 -0.71 0.00 0.00 39.64 37.26 2ja5 n ILE 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2ja5 s PHE 110 N -1.77 3.55 0.53 1.39 -0.00 -1.14 -4.83 117.98 115.71 2ja5 s PHE 110 Ca 0.29 0.91 0.07 0.00 -0.00 0.00 0.00 56.93 58.21 2ja5 s PHE 110 Cb 0.01 -2.26 0.04 0.00 -0.00 0.00 0.00 43.02 40.81 2ja5 s PHE 110 CO -0.12 0.42 0.53 0.99 -0.00 0.00 0.00 175.22 177.04 2ja5 s THR 111 N -1.53 2.04 -0.20 -4.49 2.01 -1.26 0.22 115.64 112.43 2ja5 s THR 111 Ca 0.39 -1.29 0.15 0.00 0.31 0.00 0.00 61.69 61.25 2ja5 s THR 111 Cb -0.14 -2.33 0.56 0.00 0.01 0.00 0.00 72.50 70.60 2ja5 s THR 111 CO 0.20 0.00 1.46 -0.24 -0.69 0.00 0.00 174.62 175.35 2ja5 n SER 112 N -1.88 3.90 -4.56 3.53 2.88 -0.44 -4.89 113.62 112.15 2ja5 n SER 112 Ca 0.05 -3.10 -0.14 0.00 -1.33 0.00 0.00 58.87 54.35 2ja5 n SER 112 Cb 0.63 -0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 63.43 2ja5 n SER 112 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2ja5 s ASP 113 N -1.89 3.76 0.19 -3.46 1.01 -1.26 -4.67 116.67 110.35 2ja5 s ASP 113 Ca 0.44 -0.21 0.15 0.00 0.71 0.00 0.00 52.55 53.63 2ja5 s ASP 113 Cb 0.36 -2.56 0.76 0.00 1.01 0.00 0.00 42.92 42.48 2ja5 s ASP 113 CO 0.09 -4.12 1.46 0.00 0.21 0.00 0.00 175.17 172.81 2ja5 n GLN 114 N 8.66 0.09 0.13 8.23 6.02 -1.26 -0.88 117.38 138.37 2ja5 n GLN 114 Ca 0.45 0.54 0.09 0.00 -0.01 0.00 0.00 57.00 58.07 2ja5 n GLN 114 Cb 0.44 -1.78 0.04 0.00 1.02 0.00 0.00 30.24 29.97 2ja5 n GLN 114 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2ja5 h LYS 115 N 0.00 0.00 -2.12 -1.09 1.57 -2.02 -3.47 116.57 109.44 2ja5 h LYS 115 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2ja5 h LYS 115 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 2ja5 h LYS 115 CO 0.00 0.09 -0.30 0.09 -0.57 0.00 0.00 179.45 178.77 2ja5 n ASN 116 N -2.89 -3.75 0.00 0.86 3.02 -0.06 -5.28 115.26 107.15 2ja5 n ASN 116 Ca 0.00 -0.09 0.11 0.00 -0.03 0.00 0.00 54.58 54.57 2ja5 n ASN 116 Cb 0.60 -2.79 0.62 0.00 -0.61 0.00 0.00 39.78 37.61 2ja5 n ASN 116 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93