#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djm h HIS 6 N 0.00 0.00 -3.29 1.20 -0.00 -2.01 -3.44 115.15 107.61 3djm h HIS 6 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.80 3djm h HIS 6 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 3djm h HIS 6 CO 0.00 1.04 0.46 0.42 -0.00 0.00 0.00 177.93 179.85 3djm s ILE 7 N -2.21 4.84 -0.10 6.26 1.01 -1.26 -3.13 121.20 126.61 3djm s ILE 7 Ca -0.20 1.85 -0.01 0.00 0.00 0.00 0.00 60.65 62.28 3djm s ILE 7 Cb -0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 3djm s ILE 7 CO 0.60 0.04 -0.05 -0.60 0.00 0.00 0.00 174.94 174.93 3djm s ARG 8 N 1.94 3.14 -0.16 2.79 3.52 0.06 -4.98 118.95 125.25 3djm s ARG 8 Ca 0.44 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.51 3djm s ARG 8 Cb -0.18 -2.73 -0.01 0.00 -1.56 0.00 0.00 34.95 30.48 3djm s ARG 8 CO 0.16 0.50 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.52 3djm s LEU 9 N -0.35 2.62 0.18 -0.88 1.43 -1.26 -1.28 118.68 119.13 3djm s LEU 9 Ca 0.05 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 3djm s LEU 9 Cb -0.12 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3djm s LEU 9 CO 0.02 0.08 -0.16 -0.13 0.23 0.00 0.00 176.35 176.39 3djm s ARG 10 N 0.85 1.28 -0.04 1.70 0.52 -0.48 -4.97 118.95 117.81 3djm s ARG 10 Ca -0.04 -1.48 -0.30 0.00 -0.52 0.00 0.00 55.73 53.39 3djm s ARG 10 Cb -0.15 -1.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 3djm s ARG 10 CO -0.00 0.22 1.22 0.21 0.02 0.00 0.00 175.30 176.97 3djm s LYS 11 N -3.21 4.35 -0.15 3.54 2.20 -1.26 -0.06 119.74 125.16 3djm s LYS 11 Ca 0.18 1.71 -0.29 0.00 -0.36 0.00 0.00 55.97 57.21 3djm s LYS 11 Cb -0.03 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3djm s LYS 11 CO 0.06 -0.45 1.45 0.00 -0.36 0.00 0.00 175.35 176.06 3djm s ALA 12 N 2.17 3.56 0.25 3.13 0.00 -0.02 -4.82 121.76 126.03 3djm s ALA 12 Ca 0.57 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 52.85 3djm s ALA 12 Cb -0.26 -3.71 -0.09 0.00 0.00 0.00 0.00 23.12 19.06 3djm s ALA 12 CO 0.23 -1.42 0.90 -1.21 0.00 0.00 0.00 175.76 174.26 3djm s GLU 13 N 3.92 4.69 1.23 0.00 0.41 -1.26 -4.47 118.70 123.23 3djm s GLU 13 Ca 0.64 1.35 0.00 0.00 -0.41 0.00 0.00 54.97 56.55 3djm s GLU 13 Cb -0.26 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 3djm s GLU 13 CO 0.23 0.45 0.00 0.41 -0.49 0.00 0.00 175.26 175.86 3djm n GLY 14 N 1.20 -1.73 3.67 -1.39 0.00 -1.26 -4.84 105.19 100.83 3djm n GLY 14 Ca -0.02 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 3djm n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3djm s LYS 15 N 0.00 4.17 -0.05 1.61 2.20 -1.26 -4.45 119.74 121.97 3djm s LYS 15 Ca 0.00 0.22 0.04 0.00 -0.36 0.00 0.00 55.97 55.87 3djm s LYS 15 Cb 0.00 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 3djm s LYS 15 CO 0.00 -0.05 -0.17 -1.58 -0.36 0.00 0.00 175.35 173.19 3djm s TRP 16 N 1.34 2.62 0.04 4.03 0.52 -0.14 -0.18 118.94 127.17 3djm s TRP 16 Ca 0.19 -0.29 0.08 0.00 0.02 0.00 0.00 56.10 56.11 3djm s TRP 16 Cb -0.15 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 3djm s TRP 16 CO 0.08 0.09 -0.24 0.08 0.02 0.00 0.00 176.95 176.98 3djm s VAL 17 N -0.59 1.95 -0.10 4.03 1.01 -0.22 -0.90 120.40 125.58 3djm s VAL 17 Ca 0.08 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 60.79 3djm s VAL 17 Cb -0.11 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3djm s VAL 17 CO 0.01 0.31 -0.19 -0.51 0.00 0.00 0.00 175.10 174.72 3djm s ILE 18 N -0.80 1.71 0.21 2.22 1.10 -0.06 -2.00 121.20 123.59 3djm s ILE 18 Ca 0.10 -0.80 -0.09 0.00 -0.51 0.00 0.00 60.65 59.35 3djm s ILE 18 Cb -0.09 -1.51 -0.01 0.00 0.15 0.00 0.00 42.46 40.99 3djm s ILE 18 CO 0.02 0.48 0.34 0.00 -2.11 0.00 0.00 174.94 173.67 3djm s ARG 19 N 0.63 1.36 0.05 3.50 1.70 -0.16 -1.09 118.95 124.93 3djm s ARG 19 Ca -0.13 -1.33 0.01 0.00 -0.47 0.00 0.00 55.73 53.81 3djm s ARG 19 Cb -0.16 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.62 3djm s ARG 19 CO 0.04 -0.52 0.06 0.25 -1.08 0.00 0.00 175.30 174.04 3djm n THR 20 N -0.31 0.00 1.60 4.99 -2.24 -0.25 -0.75 114.28 117.33 3djm n THR 20 Ca -0.02 -0.19 0.13 0.00 -2.27 0.00 0.00 64.05 61.70 3djm n THR 20 Cb 0.63 -0.70 0.77 0.00 -2.10 0.00 0.00 70.33 68.93 3djm n THR 20 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3djm n ASP 21 N -2.45 0.00 0.00 3.42 5.68 -1.26 -4.07 116.55 117.86 3djm n ASP 21 Ca 0.01 -0.76 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 3djm n ASP 21 Cb 0.06 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3djm n ASP 21 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3djm n SER 22 N -1.02 0.00 -3.57 -1.12 3.41 -1.26 -5.12 113.62 104.94 3djm n SER 22 Ca 0.19 -0.91 -0.16 0.00 -0.26 0.00 0.00 58.87 57.74 3djm n SER 22 Cb 0.10 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 3djm n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3djm s ALA 23 N 0.00 -1.47 -0.28 7.33 0.00 -1.26 -5.01 121.76 121.08 3djm s ALA 23 Ca 0.00 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 3djm s ALA 23 Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 3djm s ALA 23 CO 0.00 -0.42 0.23 0.08 0.00 0.00 0.00 175.76 175.65 3djm s VAL 24 N -1.77 5.28 -0.14 0.00 1.01 -1.26 -1.09 120.40 122.43 3djm s VAL 24 Ca -0.09 0.27 0.22 0.00 0.00 0.00 0.00 61.98 62.38 3djm s VAL 24 Cb -0.01 -3.57 -0.20 0.00 0.00 0.00 0.00 36.38 32.60 3djm s VAL 24 CO 0.04 0.23 0.73 0.18 0.00 0.00 0.00 175.10 176.28 3djm n LEU 25 N 5.10 0.37 -3.64 3.92 4.77 -0.25 -4.93 117.00 122.34 3djm n LEU 25 Ca -0.13 0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3djm n LEU 25 Cb 0.52 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 3djm n LEU 25 CO 0.34 -0.07 0.92 -0.83 -1.33 0.00 0.00 177.39 176.42 3djm s GLY 26 N -4.42 0.03 -0.03 -0.72 0.00 -0.87 -0.99 107.32 100.33 3djm s GLY 26 Ca -0.05 2.92 0.03 0.00 0.00 0.00 0.00 44.72 47.62 3djm s GLY 26 CO 0.86 1.74 -0.12 -0.54 0.00 0.00 0.00 173.10 175.04 3djm s GLU 27 N -0.06 1.20 -0.01 2.90 2.02 -1.20 -0.88 118.70 122.68 3djm s GLU 27 Ca 0.04 -0.41 -0.14 0.00 0.02 0.00 0.00 54.97 54.49 3djm s GLU 27 Cb -0.04 -1.10 0.02 0.00 0.10 0.00 0.00 34.13 33.11 3djm s GLU 27 CO -0.09 0.17 0.29 -0.08 0.02 0.00 0.00 175.26 175.56 3djm s THR 28 N 0.11 0.06 -2.55 3.63 -1.32 -0.08 -4.82 115.64 110.67 3djm s THR 28 Ca -0.03 -0.52 0.22 0.00 -1.21 0.00 0.00 61.69 60.15 3djm s THR 28 Cb -0.09 -0.62 0.27 0.00 -1.51 0.00 0.00 72.50 70.55 3djm s THR 28 CO 0.01 -0.29 1.27 0.18 -2.21 0.00 0.00 174.62 173.58 3djm n LEU 29 N 1.24 3.07 -1.81 9.08 4.77 -1.26 -0.97 117.00 131.12 3djm n LEU 29 Ca -0.22 -1.23 -0.04 0.00 -0.03 0.00 0.00 56.01 54.50 3djm n LEU 29 Cb 0.56 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.62 3djm n LEU 29 CO 0.22 0.59 0.14 0.59 -1.33 0.00 0.00 177.39 177.60 3djm n ASN 30 N 1.30 2.39 -4.75 -1.43 5.03 -1.26 -4.77 115.26 111.76 3djm n ASN 30 Ca 0.15 -2.91 -0.36 0.00 0.87 0.00 0.00 54.58 52.34 3djm n ASN 30 Cb 0.56 -0.41 0.03 0.00 -1.02 0.00 0.00 39.78 38.95 3djm n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3djm s ALA 31 N -2.76 2.53 -0.11 5.41 0.00 -1.26 -4.57 121.76 121.00 3djm s ALA 31 Ca 0.38 0.97 0.03 0.00 0.00 0.00 0.00 51.96 53.33 3djm s ALA 31 Cb 0.37 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 3djm s ALA 31 CO -0.05 -1.17 -0.20 0.42 0.00 0.00 0.00 175.76 174.76 3djm s ILE 32 N -1.66 2.39 -0.24 0.00 1.01 -0.20 -0.84 121.20 121.65 3djm s ILE 32 Ca 0.76 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 3djm s ILE 32 Cb -0.29 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 3djm s ILE 32 CO 0.33 0.55 0.29 -0.70 0.00 0.00 0.00 174.94 175.41 3djm s GLU 33 N 0.38 4.06 -0.22 2.79 2.12 0.92 -0.48 118.70 128.27 3djm s GLU 33 Ca -0.15 -0.06 -0.04 0.00 0.36 0.00 0.00 54.97 55.07 3djm s GLU 33 Cb -0.17 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 3djm s GLU 33 CO 0.07 -0.10 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.49 3djm s LEU 34 N 1.53 2.95 -0.17 2.70 0.20 -0.38 -1.38 118.68 124.12 3djm s LEU 34 Ca 0.13 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.57 3djm s LEU 34 Cb -0.15 -1.76 0.00 0.00 -0.43 0.00 0.00 46.19 43.86 3djm s LEU 34 CO 0.08 -0.02 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.07 3djm s THR 35 N 1.49 2.56 -0.34 3.68 2.01 -0.41 -0.61 115.64 124.03 3djm s THR 35 Ca 0.06 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 3djm s THR 35 Cb -0.14 -2.09 0.06 0.00 0.01 0.00 0.00 72.50 70.33 3djm s THR 35 CO -0.03 0.51 0.09 -0.70 -0.69 0.00 0.00 174.62 173.81 3djm s GLU 36 N 1.04 2.46 6.94 4.92 2.12 -1.26 -0.76 118.70 134.17 3djm s GLU 36 Ca -0.01 -1.32 0.00 0.00 0.36 0.00 0.00 54.97 53.99 3djm s GLU 36 Cb -0.15 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.84 3djm s GLU 36 CO -0.04 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.36 3djm n GLY 37 N 4.72 2.19 1.01 -1.50 0.00 -1.18 -2.02 105.19 108.41 3djm n GLY 37 Ca -0.11 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3djm n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3djm n SER 38 N 5.43 4.08 -4.61 1.61 3.41 -1.26 -5.01 113.62 117.27 3djm n SER 38 Ca 0.00 -2.94 -0.30 0.00 -0.26 0.00 0.00 58.87 55.37 3djm n SER 38 Cb 0.00 -0.54 0.20 0.00 -0.26 0.00 0.00 64.21 63.60 3djm n SER 38 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3djm s ARG 39 N -2.70 0.31 0.26 4.33 0.52 -0.86 -4.96 118.95 115.85 3djm s ARG 39 Ca 0.43 1.26 -0.29 0.00 -0.52 0.00 0.00 55.73 56.61 3djm s ARG 39 Cb 0.34 -1.67 -0.09 0.00 0.52 0.00 0.00 34.95 34.05 3djm s ARG 39 CO 0.10 -3.03 1.24 -0.51 0.02 0.00 0.00 175.30 173.13 3djm s ASP 40 N -2.64 6.97 0.59 0.23 1.01 -1.26 -4.60 116.67 116.96 3djm s ASP 40 Ca 0.67 2.45 -0.20 0.00 0.71 0.00 0.00 52.55 56.18 3djm s ASP 40 Cb -0.23 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.04 3djm s ASP 40 CO 0.60 -0.42 1.28 -2.16 0.21 0.00 0.00 175.17 174.69 3djm s PRO 41 N -1.02 2.92 -0.10 8.23 0.04 -1.26 -4.78 135.00 139.03 3djm s PRO 41 Ca 0.51 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.59 3djm s PRO 41 Cb -0.36 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 3djm s PRO 41 CO 0.44 -1.30 -0.15 0.08 0.04 0.00 0.00 177.00 176.10 3djm s VAL 42 N -1.43 2.91 -0.17 -0.36 1.01 0.22 -4.94 120.40 117.64 3djm s VAL 42 Ca 0.77 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 3djm s VAL 42 Cb -0.36 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3djm s VAL 42 CO 0.40 0.55 0.35 -0.63 0.00 0.00 0.00 175.10 175.77 3djm s ILE 43 N -0.01 5.26 -0.20 2.22 -1.09 -1.26 -1.25 121.20 124.86 3djm s ILE 43 Ca -0.04 0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 58.98 3djm s ILE 43 Cb -0.14 -3.68 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 3djm s ILE 43 CO 0.04 0.33 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.73 3djm s TYR 44 N 0.79 2.96 -0.17 3.97 1.51 0.36 -4.40 117.35 122.38 3djm s TYR 44 Ca 0.18 -0.74 -0.09 0.00 -1.01 0.00 0.00 57.07 55.42 3djm s TYR 44 Cb -0.14 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 3djm s TYR 44 CO 0.06 -0.40 0.13 -0.06 -1.11 0.00 0.00 175.55 174.17 3djm s PHE 45 N 1.16 3.46 0.32 2.71 0.40 0.69 -1.03 117.98 125.69 3djm s PHE 45 Ca 0.02 0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 56.45 3djm s PHE 45 Cb -0.14 -2.08 -0.11 0.00 0.51 0.00 0.00 43.02 41.20 3djm s PHE 45 CO -0.00 0.44 1.46 -1.25 0.70 0.00 0.00 175.22 176.56 3djm s PRO 46 N -0.11 4.20 0.31 0.24 0.04 -1.26 -0.35 135.00 138.06 3djm s PRO 46 Ca 0.10 2.43 0.03 0.00 0.04 0.00 0.00 61.00 63.60 3djm s PRO 46 Cb -0.11 -3.04 0.60 0.00 0.04 0.00 0.00 34.50 31.99 3djm s PRO 46 CO 0.00 -0.45 1.88 -0.09 0.04 0.00 0.00 177.00 178.38 3djm h ARG 47 N 3.98 0.91 0.00 4.56 2.43 -1.93 -0.67 114.38 123.66 3djm h ARG 47 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3djm h ARG 47 Cb 1.23 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3djm h ARG 47 CO 0.71 0.60 0.00 1.05 -1.51 0.00 0.00 179.97 180.82 3djm h GLU 48 N 0.94 0.00 -0.45 0.20 4.11 -1.94 -1.47 114.58 115.98 3djm h GLU 48 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 3djm h GLU 48 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3djm h GLU 48 CO -0.19 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.64 3djm n ASP 49 N -2.64 3.46 -4.46 3.06 8.00 -0.26 -4.93 116.55 118.77 3djm n ASP 49 Ca -0.01 -1.97 -0.33 0.00 0.71 0.00 0.00 54.79 53.20 3djm n ASP 49 Cb 0.15 -0.29 -0.13 0.00 -0.02 0.00 0.00 41.12 40.82 3djm n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3djm s VAL 50 N -1.29 2.99 0.50 2.53 1.01 -0.56 -3.21 120.40 122.37 3djm s VAL 50 Ca 0.38 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 3djm s VAL 50 Cb 0.22 -2.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 3djm s VAL 50 CO 0.30 0.59 1.03 0.00 0.00 0.00 0.00 175.10 177.02 3djm s ALA 51 N -0.68 2.87 -1.49 5.51 0.00 -0.16 -4.98 121.76 122.83 3djm s ALA 51 Ca 0.10 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 3djm s ALA 51 Cb -0.11 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.84 3djm s ALA 51 CO 0.01 -0.36 1.02 1.55 0.00 0.00 0.00 175.76 177.98 3djm n VAL 53 N -1.15 -2.34 -1.21 0.00 3.14 -1.26 -5.07 118.33 110.44 3djm n VAL 53 Ca 0.09 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3djm n VAL 53 Cb 0.53 -3.13 0.00 0.00 -1.06 0.00 0.00 33.84 30.18 3djm n VAL 53 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3djm n PHE 55 N -4.74 -1.36 -4.39 1.45 3.01 -1.26 -5.03 117.46 105.13 3djm n PHE 55 Ca 0.02 0.73 -0.31 0.00 1.01 0.00 0.00 57.45 58.90 3djm n PHE 55 Cb 0.54 -1.38 -0.16 0.00 -0.01 0.00 0.00 39.48 38.46 3djm n PHE 55 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3djm s ASP 56 N -3.33 2.83 0.33 4.37 1.01 -0.23 -4.96 116.67 116.70 3djm s ASP 56 Ca 0.00 -0.54 -0.29 0.00 0.71 0.00 0.00 52.55 52.43 3djm s ASP 56 Cb 0.00 -1.29 -0.11 0.00 1.01 0.00 0.00 42.92 42.52 3djm s ASP 56 CO 0.00 0.02 1.53 -0.75 0.21 0.00 0.00 175.17 176.18 3djm s LYS 57 N 1.08 4.12 0.32 8.23 2.20 -1.26 -0.83 119.74 133.60 3djm s LYS 57 Ca -0.03 2.56 0.07 0.00 -0.36 0.00 0.00 55.97 58.22 3djm s LYS 57 Cb -0.14 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 3djm s LYS 57 CO -0.05 -0.57 0.38 0.45 -0.36 0.00 0.00 175.35 175.20 3djm s SER 58 N 0.16 5.74 0.38 1.43 0.15 0.27 -4.84 113.70 116.98 3djm s SER 58 Ca 0.58 -0.27 0.20 0.00 0.70 0.00 0.00 55.95 57.16 3djm s SER 58 Cb -0.47 -1.21 0.48 0.00 -1.71 0.00 0.00 66.02 63.11 3djm s SER 58 CO 0.55 -0.35 1.64 -0.33 1.20 0.00 0.00 173.24 175.96 3djm h GLU 59 N 1.08 0.00 -6.92 5.44 5.08 -1.94 -3.43 114.58 113.89 3djm h GLU 59 Ca -0.46 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.36 3djm h GLU 59 Cb 1.25 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.60 3djm h GLU 59 CO 0.56 0.30 0.79 0.21 -1.00 0.00 0.00 179.01 179.87 3djm s LYS 60 N -3.29 4.11 0.01 2.33 2.20 -1.26 -5.00 119.74 118.84 3djm s LYS 60 Ca 0.03 2.57 -0.04 0.00 -0.36 0.00 0.00 55.97 58.17 3djm s LYS 60 Cb 0.08 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 3djm s LYS 60 CO 0.68 -0.54 0.07 0.14 -0.36 0.00 0.00 175.35 175.34 3djm s VAL 61 N -0.96 0.10 0.04 4.02 -7.23 -1.26 -3.41 120.40 111.69 3djm s VAL 61 Ca 0.54 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.94 3djm s VAL 61 Cb -0.47 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 3djm s VAL 61 CO 0.61 -0.44 -0.09 0.42 -0.31 0.00 0.00 175.10 175.29 3djm s THR 62 N -1.49 0.65 -0.16 5.32 -4.23 -1.03 -4.99 115.64 109.71 3djm s THR 62 Ca -0.15 -0.92 -0.07 0.00 -1.18 0.00 0.00 61.69 59.37 3djm s THR 62 Cb -0.08 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 3djm s THR 62 CO 0.00 -0.21 0.08 0.00 -0.54 0.00 0.00 174.62 173.95 3djm s ALA 63 N -1.05 3.54 -0.15 3.99 0.00 -1.26 -0.56 121.76 126.27 3djm s ALA 63 Ca -0.05 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3djm s ALA 63 Cb -0.08 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.13 3djm s ALA 63 CO 0.01 0.32 -0.18 0.00 0.00 0.00 0.00 175.76 175.91 3djm h PRO 65 N 7.74 0.00 0.15 0.00 0.11 -1.99 -0.88 132.00 137.14 3djm h PRO 65 Ca -0.38 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.37 3djm h PRO 65 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3djm h PRO 65 CO 0.56 0.00 -1.89 -0.07 -0.21 0.00 0.00 178.00 176.39 3djm h LEU 66 N 0.00 0.49 0.02 2.35 3.38 -2.03 -3.42 115.31 116.10 3djm h LEU 66 Ca 0.18 -0.93 -0.37 0.00 0.09 0.00 0.00 57.88 56.85 3djm h LEU 66 Cb 0.77 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3djm h LEU 66 CO -0.00 1.82 -2.32 0.29 0.09 0.00 0.00 178.44 178.32 3djm n LYS 67 N -3.52 0.68 0.00 1.13 5.02 -1.07 -4.62 118.16 115.77 3djm n LYS 67 Ca -0.29 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3djm n LYS 67 Cb 1.06 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 3djm n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3djm n GLY 68 N 1.99 0.21 3.64 0.72 0.00 -0.36 -0.16 105.19 111.23 3djm n GLY 68 Ca -0.37 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.27 3djm n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3djm s GLU 69 N 0.00 4.09 -0.23 1.61 2.12 -1.26 -0.72 118.70 124.30 3djm s GLU 69 Ca 0.00 0.09 -0.22 0.00 0.36 0.00 0.00 54.97 55.20 3djm s GLU 69 Cb 0.00 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3djm s GLU 69 CO 0.00 -0.15 0.70 0.00 -0.54 0.00 0.00 175.26 175.27 3djm s ALA 70 N 1.68 3.60 0.09 6.30 0.00 0.27 -4.13 121.76 129.57 3djm s ALA 70 Ca 0.16 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 3djm s ALA 70 Cb -0.15 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 3djm s ALA 70 CO 0.09 -0.78 0.54 -1.12 0.00 0.00 0.00 175.76 174.48 3djm s SER 71 N 1.35 6.93 0.15 0.00 0.01 0.38 -2.46 113.70 120.07 3djm s SER 71 Ca 0.30 1.15 0.07 0.00 1.31 0.00 0.00 55.95 58.77 3djm s SER 71 Cb -0.16 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 3djm s SER 71 CO 0.09 0.21 0.00 -0.31 0.41 0.00 0.00 173.24 173.65 3djm s TYR 72 N -1.25 2.89 0.00 2.43 1.51 -1.22 -0.47 117.35 121.24 3djm s TYR 72 Ca 0.32 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.28 3djm s TYR 72 Cb -0.17 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3djm s TYR 72 CO 0.18 0.50 -0.05 0.71 -1.11 0.00 0.00 175.55 175.79 3djm s TYR 73 N -1.62 0.46 0.07 2.71 1.51 0.24 -0.56 117.35 120.15 3djm s TYR 73 Ca 0.27 -0.14 -0.08 0.00 -1.01 0.00 0.00 57.07 56.11 3djm s TYR 73 Cb -0.10 -0.29 -0.05 0.00 -0.11 0.00 0.00 41.96 41.40 3djm s TYR 73 CO 0.19 -0.02 0.35 -1.12 -1.11 0.00 0.00 175.55 173.84 3djm s SER 74 N -0.32 6.56 -0.12 2.29 0.01 -0.01 -1.72 113.70 120.39 3djm s SER 74 Ca 0.00 0.67 0.01 0.00 1.31 0.00 0.00 55.95 57.94 3djm s SER 74 Cb -0.03 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 64.06 3djm s SER 74 CO -0.00 0.18 -0.14 -0.63 0.41 0.00 0.00 173.24 173.05 3djm s ILE 75 N -1.42 2.95 -0.11 1.44 1.01 -0.53 -1.07 121.20 123.48 3djm s ILE 75 Ca 0.33 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 3djm s ILE 75 Cb -0.13 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3djm s ILE 75 CO 0.19 0.53 0.20 -0.69 0.00 0.00 0.00 174.94 175.17 3djm s VAL 76 N 0.25 5.40 0.08 2.92 1.01 -1.26 0.24 120.40 129.05 3djm s VAL 76 Ca -0.10 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 3djm s VAL 76 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3djm s VAL 76 CO 0.06 0.58 0.12 0.61 0.00 0.00 0.00 175.10 176.47 3djm n GLY 77 N 2.18 2.84 0.35 4.51 0.00 -0.52 -4.93 105.19 109.62 3djm n GLY 77 Ca -0.18 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.53 3djm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djm h ALA 78 N 1.60 1.56 -0.00 4.61 0.00 -1.98 -1.96 119.26 123.09 3djm h ALA 78 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3djm h ALA 78 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3djm h ALA 78 CO 0.09 0.04 -0.32 0.43 0.00 0.00 0.00 179.25 179.48 3djm n SER 79 N -4.73 0.65 0.00 0.00 7.64 -1.26 -5.04 113.62 110.88 3djm n SER 79 Ca 0.21 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.62 3djm n SER 79 Cb 0.48 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3djm n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djm n GLY 80 N 1.41 0.68 3.74 0.23 0.00 -0.74 -5.06 105.19 105.46 3djm n GLY 80 Ca 0.09 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 3djm n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djm s THR 81 N -1.08 5.00 -0.59 2.61 2.01 -1.26 -1.43 115.64 120.90 3djm s THR 81 Ca 0.00 1.30 -0.19 0.00 0.31 0.00 0.00 61.69 63.12 3djm s THR 81 Cb 0.00 -3.97 0.11 0.00 0.01 0.00 0.00 72.50 68.65 3djm s THR 81 CO 0.00 0.33 0.68 -0.76 -0.69 0.00 0.00 174.62 174.19 3djm s LEU 82 N 0.36 5.50 0.10 4.42 1.43 0.14 -4.95 118.68 125.67 3djm s LEU 82 Ca 0.33 -1.50 -0.31 0.00 -1.03 0.00 0.00 54.13 51.63 3djm s LEU 82 Cb -0.18 -2.29 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 3djm s LEU 82 CO 0.17 -1.08 1.38 -0.75 0.23 0.00 0.00 176.35 176.29 3djm s LYS 83 N 2.54 4.33 -1.36 1.70 2.47 -1.26 -1.46 119.74 126.69 3djm s LYS 83 Ca 0.11 2.04 -0.09 0.00 -1.56 0.00 0.00 55.97 56.47 3djm s LYS 83 Cb -0.25 -3.29 0.07 0.00 -1.46 0.00 0.00 37.83 32.90 3djm s LYS 83 CO 0.06 -0.44 0.56 -0.25 0.16 0.00 0.00 175.35 175.44 3djm n ASP 84 N 4.08 -4.18 -0.09 1.43 8.00 -1.23 -4.84 116.55 119.71 3djm n ASP 84 Ca 0.11 -0.42 0.14 0.00 0.71 0.00 0.00 54.79 55.33 3djm n ASP 84 Cb 0.43 -3.43 0.67 0.00 -0.02 0.00 0.00 41.12 38.76 3djm n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3djm n ALA 85 N -3.65 2.69 -2.52 2.24 0.00 -0.70 -4.77 120.51 113.80 3djm n ALA 85 Ca -0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 3djm n ALA 85 Cb 0.55 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 3djm n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3djm s ALA 86 N -2.45 0.13 0.16 0.00 0.00 -0.89 -1.40 121.76 117.32 3djm s ALA 86 Ca 0.30 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 3djm s ALA 86 Cb 0.20 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3djm s ALA 86 CO 0.46 -0.34 0.21 1.67 0.00 0.00 0.00 175.76 177.76 3djm s TRP 87 N -3.07 0.64 -0.16 0.00 -2.14 -0.61 -0.60 118.94 113.00 3djm s TRP 87 Ca -0.01 -0.99 -0.16 0.00 2.66 0.00 0.00 56.10 57.61 3djm s TRP 87 Cb 0.02 -0.24 0.04 0.00 -3.10 0.00 0.00 33.47 30.19 3djm s TRP 87 CO -0.07 -0.67 0.45 0.45 -2.66 0.00 0.00 176.95 174.46 3djm s SER 88 N -3.02 -0.47 -0.75 -2.66 0.15 0.38 -1.17 113.70 106.16 3djm s SER 88 Ca 0.22 0.89 -0.19 0.00 0.70 0.00 0.00 55.95 57.57 3djm s SER 88 Cb 0.05 0.90 0.12 0.00 -1.71 0.00 0.00 66.02 65.38 3djm s SER 88 CO 0.03 -0.17 0.92 -0.31 1.20 0.00 0.00 173.24 174.91 3djm s TYR 89 N 0.19 3.05 -0.38 3.44 2.02 -1.26 -0.47 117.35 123.94 3djm s TYR 89 Ca -0.00 -1.13 0.22 0.00 -0.37 0.00 0.00 57.07 55.78 3djm s TYR 89 Cb -0.03 -4.15 0.30 0.00 -0.40 0.00 0.00 41.96 37.68 3djm s TYR 89 CO 0.01 -1.41 1.58 0.93 -1.57 0.00 0.00 175.55 175.09 3djm h GLU 90 N 9.00 0.00 -2.20 -0.62 5.08 -1.89 -1.87 114.58 122.07 3djm h GLU 90 Ca -0.09 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.69 3djm h GLU 90 Cb 1.06 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.91 3djm h GLU 90 CO 1.08 0.09 -0.98 0.43 -1.00 0.00 0.00 179.01 178.64 3djm n SER 91 N -3.12 0.51 -4.78 1.42 7.64 -1.26 -4.31 113.62 109.71 3djm n SER 91 Ca 0.04 -2.70 -0.33 0.00 1.01 0.00 0.00 58.87 56.89 3djm n SER 91 Cb 0.57 -0.62 0.04 0.00 -1.01 0.00 0.00 64.21 63.19 3djm n SER 91 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3djm s PRO 92 N -0.94 2.88 0.96 1.43 0.02 -1.26 -4.65 135.00 133.44 3djm s PRO 92 Ca 0.34 1.31 -0.11 0.00 0.02 0.00 0.00 61.00 62.56 3djm s PRO 92 Cb 0.11 -1.97 0.17 0.00 0.02 0.00 0.00 34.50 32.83 3djm s PRO 92 CO -0.13 -1.17 1.09 0.15 -0.33 0.00 0.00 177.00 176.60 3djm s LYS 93 N -4.20 0.71 0.27 5.54 1.02 0.77 -4.78 119.74 119.07 3djm s LYS 93 Ca 0.65 1.05 -0.31 0.00 0.02 0.00 0.00 55.97 57.39 3djm s LYS 93 Cb -0.19 -1.73 -0.12 0.00 -0.52 0.00 0.00 37.83 35.27 3djm s LYS 93 CO 0.42 -2.69 1.58 -1.91 -0.92 0.00 0.00 175.35 171.83 3djm n GLU 94 N -4.22 2.57 0.00 1.68 2.13 -1.26 -2.02 120.64 119.51 3djm n GLU 94 Ca 0.07 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.81 3djm n GLU 94 Cb 0.54 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.57 3djm n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3djm n GLY 95 N 2.41 3.45 0.77 8.31 0.00 -1.26 -4.90 105.19 113.98 3djm n GLY 95 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3djm n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3djm n LEU 96 N 0.00 3.58 0.29 0.99 4.77 -0.86 -4.71 117.00 121.06 3djm n LEU 96 Ca 0.00 -3.22 0.18 0.00 -0.03 0.00 0.00 56.01 52.94 3djm n LEU 96 Cb 0.00 -0.54 0.86 0.00 -2.33 0.00 0.00 43.42 41.41 3djm n LEU 96 CO 0.00 0.82 1.04 -0.33 -1.33 0.00 0.00 177.39 177.60 3djm h GLU 97 N 1.23 0.00 0.00 3.23 3.07 -1.87 -2.75 114.58 117.49 3djm h GLU 97 Ca 0.05 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3djm h GLU 97 Cb 1.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.30 3djm h GLU 97 CO 0.21 0.03 -0.00 0.00 -1.40 0.00 0.00 179.01 177.85 3djm h ALA 98 N 1.97 1.83 -0.59 3.43 0.00 -1.96 -1.81 119.26 122.13 3djm h ALA 98 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3djm h ALA 98 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3djm h ALA 98 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.70 3djm n ILE 99 N -4.30 2.11 -1.70 0.00 -5.35 -1.04 -4.94 119.36 104.14 3djm n ILE 99 Ca -0.03 -1.31 -0.42 0.00 -0.27 0.00 0.00 62.75 60.72 3djm n ILE 99 Cb 0.09 -0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.96 3djm n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3djm s ALA 100 N -2.15 3.59 0.00 -1.28 0.00 -0.68 -1.63 121.76 119.60 3djm s ALA 100 Ca 0.50 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.77 3djm s ALA 100 Cb 0.35 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3djm s ALA 100 CO 0.21 -1.55 0.00 0.41 0.00 0.00 0.00 175.76 174.83 3djm n GLY 101 N 4.50 2.26 3.79 0.00 0.00 -0.70 -4.97 105.19 110.07 3djm n GLY 101 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3djm n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3djm s TYR 102 N -2.97 2.86 -0.12 1.61 1.51 -0.65 -4.27 117.35 115.32 3djm s TYR 102 Ca 0.00 1.55 -0.06 0.00 -1.01 0.00 0.00 57.07 57.55 3djm s TYR 102 Cb 0.00 -3.12 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 3djm s TYR 102 CO 0.00 -1.21 0.10 -0.51 -1.11 0.00 0.00 175.55 172.82 3djm s LEU 103 N -4.00 4.15 0.32 -1.29 2.01 0.52 -4.13 118.68 116.26 3djm s LEU 103 Ca 0.68 0.36 0.09 0.00 0.01 0.00 0.00 54.13 55.26 3djm s LEU 103 Cb -0.19 -2.00 -0.06 0.00 0.01 0.00 0.00 46.19 43.95 3djm s LEU 103 CO 0.29 0.38 -0.08 0.00 1.01 0.00 0.00 176.35 177.95 3djm s ALA 104 N -0.87 2.74 0.00 4.21 0.00 -0.32 -0.22 121.76 127.30 3djm s ALA 104 Ca 0.14 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 50.09 3djm s ALA 104 Cb -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 3djm s ALA 104 CO 0.03 0.03 -0.07 -0.06 0.00 0.00 0.00 175.76 175.70 3djm s PHE 105 N -2.75 0.59 -0.04 0.00 0.40 -1.26 -1.58 117.98 113.34 3djm s PHE 105 Ca 0.31 -0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 56.18 3djm s PHE 105 Cb 0.03 -0.38 -0.06 0.00 0.51 0.00 0.00 43.02 43.13 3djm s PHE 105 CO 0.15 -0.02 1.61 0.00 0.70 0.00 0.00 175.22 177.66 3djm s ALA 106 N -0.32 3.62 -0.50 5.36 0.00 -0.49 -4.92 121.76 124.52 3djm s ALA 106 Ca 0.01 0.94 0.24 0.00 0.00 0.00 0.00 51.96 53.14 3djm s ALA 106 Cb -0.03 -3.72 0.97 0.00 0.00 0.00 0.00 23.12 20.34 3djm s ALA 106 CO -0.00 -1.30 1.72 -0.35 0.00 0.00 0.00 175.76 175.83 3djm n PRO 107 N 6.75 0.21 0.31 0.00 -0.04 -1.26 -2.53 135.00 138.43 3djm n PRO 107 Ca 0.16 0.40 0.19 0.00 -0.04 0.00 0.00 63.50 64.22 3djm n PRO 107 Cb 0.43 -1.87 0.97 0.00 -0.04 0.00 0.00 33.50 32.98 3djm n PRO 107 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3djm h ASP 108 N 0.00 0.00 0.00 3.54 2.03 -1.98 -3.30 116.42 116.71 3djm h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3djm h ASP 108 Cb 0.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 3djm h ASP 108 CO 0.00 0.02 -0.09 0.00 -1.03 0.00 0.00 179.24 178.13 3djm s THR 110 N 0.00 0.82 -0.05 0.00 -4.23 -1.05 -4.69 115.64 106.44 3djm s THR 110 Ca 0.00 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 3djm s THR 110 Cb 0.00 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 3djm s THR 110 CO 0.00 -0.76 -0.22 -0.75 -0.54 0.00 0.00 174.62 172.35 3djm s LYS 111 N -3.83 2.26 0.02 3.99 2.20 0.07 -4.49 119.74 119.97 3djm s LYS 111 Ca 0.16 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 55.02 3djm s LYS 111 Cb 0.05 -1.95 -0.02 0.00 -1.51 0.00 0.00 37.83 34.40 3djm s LYS 111 CO -0.02 0.35 -0.20 0.08 -0.36 0.00 0.00 175.35 175.21 3djm s VAL 112 N -0.14 1.57 0.00 4.02 1.01 -1.26 -0.99 120.40 124.62 3djm s VAL 112 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3djm s VAL 112 Cb -0.13 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3djm s VAL 112 CO 0.03 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3djm n GLY 113 N 2.13 1.01 3.76 4.51 0.00 -0.85 -5.00 105.19 110.76 3djm n GLY 113 Ca -0.16 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 3djm n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3djm s GLN 114 N -2.00 4.72 0.00 1.61 0.74 -1.26 -1.05 119.66 122.42 3djm s GLN 114 Ca 0.00 1.34 0.23 0.00 0.05 0.00 0.00 55.36 56.98 3djm s GLN 114 Cb 0.00 -3.25 1.36 0.00 1.10 0.00 0.00 33.01 32.22 3djm s GLN 114 CO 0.00 0.53 1.73 0.98 -0.55 0.00 0.00 175.29 177.99