#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dun s LEU 2 N 0.00 0.10 0.15 -0.89 2.34 -1.26 -4.47 118.68 114.66 1dun s LEU 2 Ca 0.00 -0.95 0.09 0.00 0.06 0.00 0.00 54.13 53.33 1dun s LEU 2 Cb 0.00 2.39 -0.04 0.00 -0.56 0.00 0.00 46.19 47.98 1dun s LEU 2 CO 0.00 -1.40 -0.20 0.00 -1.06 0.00 0.00 176.35 173.69 1dun s ALA 3 N -3.36 2.04 -0.01 1.48 0.00 0.01 -4.97 121.76 116.95 1dun s ALA 3 Ca 0.17 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 1dun s ALA 3 Cb -0.04 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1dun s ALA 3 CO 0.10 0.31 0.38 1.52 0.00 0.00 0.00 175.76 178.08 1dun s TYR 4 N -1.70 -0.26 0.23 0.00 -0.85 -1.26 -0.87 117.35 112.64 1dun s TYR 4 Ca 0.14 0.38 0.07 0.00 -0.52 0.00 0.00 57.07 57.13 1dun s TYR 4 Cb -0.07 0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.37 1dun s TYR 4 CO 0.06 -0.45 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.90 1dun s GLN 5 N -1.51 1.39 0.00 -3.49 -0.21 -0.50 -5.00 119.66 110.34 1dun s GLN 5 Ca -0.12 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 53.60 1dun s GLN 5 Cb -0.04 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.95 1dun s GLN 5 CO 0.04 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 1dun n GLY 6 N -0.44 3.89 0.07 3.09 0.00 -1.26 -2.15 105.19 108.38 1dun n GLY 6 Ca -0.07 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.41 1dun n GLY 6 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dun n THR 7 N -1.48 0.36 -0.88 2.61 -2.24 -1.26 -4.18 114.28 107.21 1dun n THR 7 Ca 0.00 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1dun n THR 7 Cb 0.00 -0.07 0.20 0.00 -2.10 0.00 0.00 70.33 68.35 1dun n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dun n GLN 8 N -2.24 2.57 -4.67 -0.78 6.02 -1.26 -4.81 117.38 112.21 1dun n GLN 8 Ca 0.01 -2.64 -0.27 0.00 -0.01 0.00 0.00 57.00 54.10 1dun n GLN 8 Cb 0.48 -2.06 -0.17 0.00 1.02 0.00 0.00 30.24 29.51 1dun n GLN 8 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1dun s ILE 9 N -2.80 1.36 0.12 5.09 2.07 -1.26 -1.34 121.20 124.44 1dun s ILE 9 Ca 0.49 -0.60 -0.09 0.00 -1.41 0.00 0.00 60.65 59.04 1dun s ILE 9 Cb 0.41 -1.23 -0.06 0.00 0.13 0.00 0.00 42.46 41.71 1dun s ILE 9 CO 0.10 0.41 0.44 -0.75 -1.91 0.00 0.00 174.94 173.23 1dun s LYS 10 N 0.68 3.77 0.57 3.50 2.47 -0.16 -5.01 119.74 125.56 1dun s LYS 10 Ca -0.14 0.18 -0.19 0.00 -1.56 0.00 0.00 55.97 54.27 1dun s LYS 10 Cb -0.16 -2.91 -0.08 0.00 -1.46 0.00 0.00 37.83 33.23 1dun s LYS 10 CO 0.04 0.50 0.69 0.39 0.16 0.00 0.00 175.35 177.12 1dun n GLU 11 N 0.59 0.67 -4.58 4.03 -0.58 -1.26 -4.12 120.64 115.39 1dun n GLU 11 Ca -0.05 0.26 -0.27 0.00 -0.42 0.00 0.00 57.16 56.68 1dun n GLU 11 Cb 0.52 -1.86 -0.11 0.00 -0.57 0.00 0.00 31.44 29.42 1dun n GLU 11 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1dun s LYS 12 N -2.28 1.88 0.61 3.49 -2.85 -1.26 -4.83 119.74 114.50 1dun s LYS 12 Ca 0.71 -2.04 -0.07 0.00 -1.00 0.00 0.00 55.97 53.57 1dun s LYS 12 Cb -0.45 -1.56 0.01 0.00 -2.06 0.00 0.00 37.83 33.77 1dun s LYS 12 CO 0.52 -0.02 0.93 1.03 0.10 0.00 0.00 175.35 177.91 1dun s ARG 13 N -3.71 2.89 0.44 1.78 0.52 -1.26 -4.97 118.95 114.64 1dun s ARG 13 Ca 0.34 0.05 0.23 0.00 -0.52 0.00 0.00 55.73 55.84 1dun s ARG 13 Cb 0.08 -2.23 0.94 0.00 0.52 0.00 0.00 34.95 34.25 1dun s ARG 13 CO 0.17 -0.76 1.84 -0.44 0.02 0.00 0.00 175.30 176.13 1dun h ASP 14 N -0.25 0.00 -0.64 0.23 3.32 -2.00 -2.58 116.42 114.50 1dun h ASP 14 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1dun h ASP 14 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1dun h ASP 14 CO 0.61 0.24 0.00 -1.84 -1.72 0.00 0.00 179.24 176.53 1dun n GLU 15 N -3.46 3.42 -3.40 3.56 0.00 -1.26 -4.80 120.64 114.69 1dun n GLU 15 Ca -0.00 -2.78 -0.31 0.00 0.00 0.00 0.00 57.16 54.07 1dun n GLU 15 Cb 0.42 -1.77 -0.04 0.00 0.00 0.00 0.00 31.44 30.04 1dun n GLU 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1dun s ASP 16 N -0.98 6.54 0.28 -1.84 1.01 -0.97 -5.00 116.67 115.70 1dun s ASP 16 Ca 0.49 0.81 0.19 0.00 0.71 0.00 0.00 52.55 54.75 1dun s ASP 16 Cb 0.30 -2.18 0.10 0.00 1.01 0.00 0.00 42.92 42.15 1dun s ASP 16 CO 0.26 -0.11 1.31 0.00 0.21 0.00 0.00 175.17 176.83 1dun h ALA 17 N 2.22 0.74 -2.62 5.23 0.00 -1.87 -3.47 119.26 119.48 1dun h ALA 17 Ca -0.47 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 53.98 1dun h ALA 17 Cb 1.18 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1dun h ALA 17 CO 0.68 0.34 -0.49 0.20 0.00 0.00 0.00 179.25 179.98 1dun s GLY 18 N -4.41 1.11 0.01 0.00 0.00 -1.26 -4.54 107.32 98.22 1dun s GLY 18 Ca 0.03 -1.43 -0.15 0.00 0.00 0.00 0.00 44.72 43.17 1dun s GLY 18 CO 0.74 -1.18 0.43 -1.36 0.00 0.00 0.00 173.10 171.73 1dun s PHE 19 N -4.10 3.73 0.27 1.90 0.40 0.38 -4.83 117.98 115.74 1dun s PHE 19 Ca 0.32 1.03 -0.29 0.00 -0.60 0.00 0.00 56.93 57.39 1dun s PHE 19 Cb 0.05 -2.33 -0.09 0.00 0.51 0.00 0.00 43.02 41.16 1dun s PHE 19 CO 0.09 0.62 0.98 -0.51 0.70 0.00 0.00 175.22 177.10 1dun s ASP 20 N -1.01 7.45 0.05 1.36 1.01 -1.26 -0.91 116.67 123.37 1dun s ASP 20 Ca 0.24 2.01 0.03 0.00 0.71 0.00 0.00 52.55 55.54 1dun s ASP 20 Cb -0.17 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 1dun s ASP 20 CO 0.14 0.01 0.05 -0.76 0.21 0.00 0.00 175.17 174.82 1dun s LEU 21 N -1.49 3.69 0.04 1.23 1.43 -0.04 -0.98 118.68 122.56 1dun s LEU 21 Ca 0.44 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.60 1dun s LEU 21 Cb -0.26 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 1dun s LEU 21 CO 0.32 0.21 -0.19 0.00 0.23 0.00 0.00 176.35 176.92 1dun s VAL 23 N -0.90 2.93 0.21 0.00 1.01 -0.46 -4.87 120.40 118.32 1dun s VAL 23 Ca 0.14 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.91 1dun s VAL 23 Cb -0.10 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 1dun s VAL 23 CO 0.05 0.11 1.49 1.55 0.00 0.00 0.00 175.10 178.30 1dun h PRO 24 N 5.38 0.24 -3.14 2.72 0.13 -1.90 -0.80 132.00 134.62 1dun h PRO 24 Ca -0.45 -0.19 0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1dun h PRO 24 Cb 1.21 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1dun h PRO 24 CO 0.79 0.84 0.14 1.52 -0.23 0.00 0.00 178.00 181.06 1dun s TYR 25 N -3.57 -0.17 0.37 1.56 -0.85 -1.26 -4.77 117.35 108.66 1dun s TYR 25 Ca -0.04 -0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 56.02 1dun s TYR 25 Cb 0.11 0.55 -0.11 0.00 0.38 0.00 0.00 41.96 42.90 1dun s TYR 25 CO 0.81 -1.07 1.47 -0.51 -1.52 0.00 0.00 175.55 174.73 1dun s ASP 26 N -2.89 6.39 -0.05 -0.18 1.01 -1.26 -4.15 116.67 115.53 1dun s ASP 26 Ca 0.10 3.01 -0.08 0.00 0.71 0.00 0.00 52.55 56.29 1dun s ASP 26 Cb -0.03 -2.67 0.02 0.00 1.01 0.00 0.00 42.92 41.25 1dun s ASP 26 CO 0.02 -0.84 0.21 -0.63 0.21 0.00 0.00 175.17 174.14 1dun s ILE 27 N -1.09 0.03 -0.04 0.77 1.01 0.11 -4.93 121.20 117.06 1dun s ILE 27 Ca 0.53 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1dun s ILE 27 Cb -0.46 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1dun s ILE 27 CO 0.62 -0.12 -0.05 -0.04 0.00 0.00 0.00 174.94 175.34 1dun s MET 28 N -0.40 2.71 -0.29 2.79 -1.94 -1.26 -0.81 119.30 120.09 1dun s MET 28 Ca -0.05 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 1dun s MET 28 Cb -0.03 -2.59 0.09 0.00 2.01 0.00 0.00 34.83 34.31 1dun s MET 28 CO 0.01 0.64 0.05 0.42 -0.01 0.00 0.00 175.02 176.13 1dun s ILE 29 N -0.92 1.32 0.91 2.53 1.01 0.45 -4.98 121.20 121.53 1dun s ILE 29 Ca 0.15 -1.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.15 1dun s ILE 29 Cb -0.11 -1.90 0.14 0.00 0.01 0.00 0.00 42.46 40.60 1dun s ILE 29 CO 0.05 -0.51 1.10 -2.84 0.00 0.00 0.00 174.94 172.74 1dun s PRO 30 N 1.42 1.08 0.33 2.79 0.02 -1.26 -1.03 135.00 138.35 1dun s PRO 30 Ca 0.06 1.18 -0.29 0.00 0.02 0.00 0.00 61.00 61.98 1dun s PRO 30 Cb -0.18 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.47 1dun s PRO 30 CO -0.16 -2.47 1.38 0.08 -0.33 0.00 0.00 177.00 175.50 1dun s VAL 31 N -2.75 2.51 0.00 3.83 1.01 -1.26 -2.15 120.40 121.58 1dun s VAL 31 Ca 0.65 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1dun s VAL 31 Cb -0.21 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1dun s VAL 31 CO 0.58 0.11 0.00 -1.54 0.00 0.00 0.00 175.10 174.26 1dun n SER 32 N 0.94 0.00 -4.90 3.32 3.41 -0.81 -5.01 113.62 110.57 1dun n SER 32 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.34 1dun n SER 32 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1dun n SER 32 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1dun s ASP 33 N -3.48 6.31 0.03 4.04 1.11 -0.92 -4.81 116.67 118.96 1dun s ASP 33 Ca 0.00 1.01 0.08 0.00 0.18 0.00 0.00 52.55 53.83 1dun s ASP 33 Cb 0.00 -2.28 -0.03 0.00 1.07 0.00 0.00 42.92 41.68 1dun s ASP 33 CO 0.00 -0.57 -0.24 -0.89 1.18 0.00 0.00 175.17 174.65 1dun s THR 34 N -2.71 1.96 0.05 -1.27 2.01 -1.26 -1.84 115.64 112.59 1dun s THR 34 Ca 0.49 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 61.24 1dun s THR 34 Cb -0.10 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1dun s THR 34 CO 0.43 0.35 -0.10 -0.54 -0.69 0.00 0.00 174.62 174.07 1dun s LYS 35 N -1.12 0.63 -0.33 4.92 -0.14 0.58 -4.99 119.74 119.31 1dun s LYS 35 Ca 0.10 -0.84 -0.08 0.00 -1.36 0.00 0.00 55.97 53.79 1dun s LYS 35 Cb -0.09 -0.47 0.02 0.00 -1.68 0.00 0.00 37.83 35.61 1dun s LYS 35 CO 0.02 0.09 0.12 0.42 -0.76 0.00 0.00 175.35 175.24 1dun s ILE 36 N -1.41 4.09 -0.21 2.17 1.01 -1.26 -1.67 121.20 123.93 1dun s ILE 36 Ca -0.07 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 1dun s ILE 36 Cb -0.10 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1dun s ILE 36 CO 0.01 -0.08 0.36 -0.63 0.00 0.00 0.00 174.94 174.60 1dun s ILE 37 N 1.49 5.22 0.42 2.92 1.01 0.65 -4.89 121.20 128.01 1dun s ILE 37 Ca 0.01 0.62 -0.12 0.00 0.00 0.00 0.00 60.65 61.16 1dun s ILE 37 Cb -0.18 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 1dun s ILE 37 CO 0.04 0.26 0.80 -2.16 0.00 0.00 0.00 174.94 173.88 1dun s PRO 38 N 1.30 3.83 0.25 2.79 0.04 -1.26 -0.41 135.00 141.54 1dun s PRO 38 Ca 0.17 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.79 1dun s PRO 38 Cb -0.15 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1dun s PRO 38 CO 0.07 -0.06 0.09 0.95 0.04 0.00 0.00 177.00 178.09 1dun s THR 39 N -2.38 0.57 -0.88 1.26 -4.23 -0.96 -4.55 115.64 104.48 1dun s THR 39 Ca 0.53 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.20 1dun s THR 39 Cb -0.10 -2.59 0.60 0.00 1.34 0.00 0.00 72.50 71.75 1dun s THR 39 CO 0.30 -0.05 1.51 -0.90 -0.54 0.00 0.00 174.62 174.95 1dun n ASP 40 N -0.44 4.22 -4.71 3.99 5.75 -1.26 -4.31 116.55 119.79 1dun n ASP 40 Ca -0.01 -2.48 -0.42 0.00 -0.01 0.00 0.00 54.79 51.88 1dun n ASP 40 Cb 0.66 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 1dun n ASP 40 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1dun s VAL 41 N -1.88 4.88 0.04 2.12 1.01 -1.26 -4.08 120.40 121.22 1dun s VAL 41 Ca 0.44 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.49 1dun s VAL 41 Cb 0.29 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1dun s VAL 41 CO 0.19 0.15 -0.23 -0.54 0.00 0.00 0.00 175.10 174.67 1dun s LYS 42 N 1.13 1.60 0.17 2.72 1.02 -0.92 -0.01 119.74 125.45 1dun s LYS 42 Ca 0.50 -0.98 0.04 0.00 0.02 0.00 0.00 55.97 55.54 1dun s LYS 42 Cb -0.20 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.35 1dun s LYS 42 CO 0.26 0.44 -0.06 0.96 -0.92 0.00 0.00 175.35 176.03 1dun s ILE 43 N -0.76 1.05 -0.06 2.17 -4.36 -1.26 -1.41 121.20 116.56 1dun s ILE 43 Ca 0.09 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1dun s ILE 43 Cb -0.09 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.65 1dun s ILE 43 CO 0.02 -0.63 -0.08 -1.10 0.24 0.00 0.00 174.94 173.39 1dun s GLN 44 N -3.80 1.27 0.26 0.37 -0.21 -0.05 -4.87 119.66 112.63 1dun s GLN 44 Ca 0.20 -0.24 0.11 0.00 0.02 0.00 0.00 55.36 55.45 1dun s GLN 44 Cb 0.04 -1.17 -0.05 0.00 1.00 0.00 0.00 33.01 32.83 1dun s GLN 44 CO 0.02 -0.07 -0.16 0.14 -2.12 0.00 0.00 175.29 173.11 1dun s VAL 45 N 0.95 2.71 0.92 1.09 -7.23 -1.26 -0.81 120.40 116.77 1dun s VAL 45 Ca -0.10 -2.20 -0.12 0.00 -1.81 0.00 0.00 61.98 57.75 1dun s VAL 45 Cb -0.15 -2.41 0.15 0.00 0.56 0.00 0.00 36.38 34.53 1dun s VAL 45 CO 0.00 -0.33 1.10 -2.16 -0.31 0.00 0.00 175.10 173.40 1dun s PRO 46 N -3.37 1.03 0.25 4.82 0.05 -1.26 -4.93 135.00 131.59 1dun s PRO 46 Ca 0.29 0.58 -0.30 0.00 0.05 0.00 0.00 61.00 61.61 1dun s PRO 46 Cb -0.06 -1.80 -0.14 0.00 0.05 0.00 0.00 34.50 32.55 1dun s PRO 46 CO 0.15 -2.33 1.17 -2.30 0.05 0.00 0.00 177.00 173.74 1dun n PRO 47 N -3.91 1.54 -2.24 0.56 -0.02 -1.26 -2.30 135.00 127.37 1dun n PRO 47 Ca 0.06 0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 61.94 1dun n PRO 47 Cb 0.57 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1dun n PRO 47 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dun n ASN 48 N 1.59 -4.49 -4.44 2.55 5.03 -1.26 -4.99 115.26 109.26 1dun n ASN 48 Ca 0.11 0.01 -0.21 0.00 0.87 0.00 0.00 54.58 55.35 1dun n ASN 48 Cb 0.30 -3.62 -0.10 0.00 -1.02 0.00 0.00 39.78 35.34 1dun n ASN 48 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1dun s SER 49 N -2.36 2.64 0.15 6.41 0.01 -0.97 -0.59 113.70 118.98 1dun s SER 49 Ca 0.00 -1.25 -0.20 0.00 1.31 0.00 0.00 55.95 55.80 1dun s SER 49 Cb 0.00 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.14 1dun s SER 49 CO 0.00 -0.44 0.52 0.72 0.41 0.00 0.00 173.24 174.45 1dun s PHE 50 N -3.11 -0.40 0.10 2.43 -0.71 0.08 -3.95 117.98 112.42 1dun s PHE 50 Ca 0.32 0.15 -0.06 0.00 -1.04 0.00 0.00 56.93 56.30 1dun s PHE 50 Cb 0.06 0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 1dun s PHE 50 CO 0.13 -0.79 0.35 0.20 -1.34 0.00 0.00 175.22 173.77 1dun s GLY 51 N -2.76 2.26 -0.17 1.99 0.00 -0.13 -1.36 107.32 107.15 1dun s GLY 51 Ca 0.02 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.20 1dun s GLY 51 CO -0.13 -0.40 -0.06 0.86 0.00 0.00 0.00 173.10 173.37 1dun s TRP 52 N -1.52 1.78 -0.25 1.90 -0.00 0.04 0.27 118.94 121.16 1dun s TRP 52 Ca 0.36 -1.14 -0.20 0.00 -0.00 0.00 0.00 56.10 55.12 1dun s TRP 52 Cb -0.13 -1.35 -0.02 0.00 -0.00 0.00 0.00 33.47 31.97 1dun s TRP 52 CO 0.22 -0.63 0.61 0.08 -0.00 0.00 0.00 176.95 177.22 1dun s VAL 53 N 1.61 5.00 0.28 5.86 1.01 0.17 -1.32 120.40 133.01 1dun s VAL 53 Ca 0.01 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.10 1dun s VAL 53 Cb -0.15 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1dun s VAL 53 CO -0.08 0.05 0.32 1.07 0.00 0.00 0.00 175.10 176.47 1dun n THR 54 N 5.11 0.00 -2.99 3.92 5.66 -0.06 -4.53 114.28 121.39 1dun n THR 54 Ca -0.01 -1.66 -0.27 0.00 -3.05 0.00 0.00 64.05 59.06 1dun n THR 54 Cb 0.49 0.93 -0.01 0.00 -1.55 0.00 0.00 70.33 70.19 1dun n THR 54 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1dun s GLY 55 N -2.80 1.54 0.00 1.09 0.00 -1.26 -0.98 107.32 104.90 1dun s GLY 55 Ca 0.27 -0.61 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 1dun s GLY 55 CO 0.19 -0.49 0.32 0.54 0.00 0.00 0.00 173.10 173.67 1dun s LYS 56 N -4.36 3.70 0.26 2.90 1.02 -1.26 -4.69 119.74 117.30 1dun s LYS 56 Ca 0.45 0.12 -0.04 0.00 0.02 0.00 0.00 55.97 56.51 1dun s LYS 56 Cb -0.10 -3.12 0.34 0.00 -0.52 0.00 0.00 37.83 34.43 1dun s LYS 56 CO 0.39 0.66 1.90 0.77 -0.92 0.00 0.00 175.35 178.15 1dun h SER 57 N 4.29 1.07 -0.30 2.83 0.02 -1.99 -1.85 113.55 117.62 1dun h SER 57 Ca -0.51 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.48 1dun h SER 57 Cb 1.21 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1dun h SER 57 CO 0.63 0.72 0.20 0.77 -1.14 0.00 0.00 176.83 178.02 1dun h SER 58 N 1.23 0.18 0.52 3.07 4.64 -1.99 -1.67 113.55 119.53 1dun h SER 58 Ca 0.40 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 1dun h SER 58 Cb 0.03 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1dun h SER 58 CO -0.13 0.12 -1.51 0.23 -0.87 0.00 0.00 176.83 174.66 1dun n MET 59 N -4.48 0.63 -0.02 4.77 2.81 -0.94 -3.77 117.12 116.12 1dun n MET 59 Ca 0.03 0.01 -0.06 0.00 -1.81 0.00 0.00 57.70 55.87 1dun n MET 59 Cb 0.23 -1.69 0.14 0.00 -0.71 0.00 0.00 33.22 31.18 1dun n MET 59 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dun h ALA 60 N 1.87 0.96 0.00 3.04 0.00 -1.16 -1.37 119.26 122.60 1dun h ALA 60 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1dun h ALA 60 Cb 1.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1dun h ALA 60 CO 0.01 0.61 0.00 0.87 0.00 0.00 0.00 179.25 180.74 1dun h LYS 61 N 0.50 0.00 -0.02 0.00 1.57 -1.40 -1.35 116.57 115.88 1dun h LYS 61 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1dun h LYS 61 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1dun h LYS 61 CO 0.06 0.00 -0.13 1.04 -0.57 0.00 0.00 179.45 179.85 1dun n GLN 62 N -2.91 1.47 0.00 3.15 6.02 -0.57 -4.93 117.38 119.62 1dun n GLN 62 Ca -0.01 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 1dun n GLN 62 Cb 0.18 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1dun n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dun n GLY 63 N 1.28 0.96 3.66 1.08 0.00 -0.51 -4.43 105.19 107.23 1dun n GLY 63 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1dun n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dun s LEU 64 N 0.00 4.10 -0.12 0.99 2.96 -0.89 -0.03 118.68 125.69 1dun s LEU 64 Ca 0.00 1.49 -0.01 0.00 -0.22 0.00 0.00 54.13 55.40 1dun s LEU 64 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1dun s LEU 64 CO 0.00 -0.78 -0.10 -0.22 -1.32 0.00 0.00 176.35 173.93 1dun s LEU 65 N 3.52 2.90 -0.13 -0.68 2.96 0.31 -4.15 118.68 123.42 1dun s LEU 65 Ca 0.51 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.08 1dun s LEU 65 Cb -0.18 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 1dun s LEU 65 CO 0.13 0.21 0.25 -0.63 -1.32 0.00 0.00 176.35 174.99 1dun s ILE 66 N 0.10 5.32 0.09 6.68 -1.09 -1.26 -0.75 121.20 130.29 1dun s ILE 66 Ca -0.04 0.46 0.07 0.00 -2.23 0.00 0.00 60.65 58.91 1dun s ILE 66 Cb -0.14 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1dun s ILE 66 CO 0.04 0.49 -0.19 0.21 -1.23 0.00 0.00 174.94 174.26 1dun s ASN 67 N -0.24 2.31 0.51 3.58 2.47 -0.19 -4.91 114.94 118.47 1dun s ASN 67 Ca 0.16 -0.66 0.00 0.00 0.42 0.00 0.00 52.86 52.78 1dun s ASN 67 Cb -0.13 -0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.55 1dun s ASN 67 CO 0.05 0.03 0.00 0.61 -3.72 0.00 0.00 177.10 174.07 1dun n GLY 68 N 1.18 0.81 1.88 1.21 0.00 -1.26 -4.30 105.19 104.71 1dun n GLY 68 Ca -0.20 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1dun n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dun n GLY 69 N 0.00 0.78 3.64 -0.02 0.00 -1.26 -4.85 105.19 103.49 1dun n GLY 69 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1dun n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dun s ILE 70 N -2.94 4.92 -0.40 -0.61 -1.09 -1.26 -0.65 121.20 119.16 1dun s ILE 70 Ca 0.00 1.38 -0.06 0.00 -2.23 0.00 0.00 60.65 59.74 1dun s ILE 70 Cb 0.00 -4.03 0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1dun s ILE 70 CO 0.00 -0.00 0.20 -0.63 -1.23 0.00 0.00 174.94 173.28 1dun s ILE 71 N 2.53 3.76 1.06 2.92 -1.09 0.14 -4.97 121.20 125.55 1dun s ILE 71 Ca 0.31 -1.58 -0.12 0.00 -2.23 0.00 0.00 60.65 57.04 1dun s ILE 71 Cb -0.16 -3.35 0.23 0.00 -1.58 0.00 0.00 42.46 37.60 1dun s ILE 71 CO 0.09 -0.49 1.07 -1.81 -1.23 0.00 0.00 174.94 172.57 1dun s ASP 72 N 1.89 1.82 0.45 3.58 1.01 -1.26 -0.96 116.67 123.20 1dun s ASP 72 Ca 0.03 1.69 0.23 0.00 0.71 0.00 0.00 52.55 55.20 1dun s ASP 72 Cb -0.22 -2.35 1.07 0.00 1.01 0.00 0.00 42.92 42.43 1dun s ASP 72 CO -0.00 -3.71 1.91 -0.08 0.21 0.00 0.00 175.17 173.51 1dun h GLU 73 N -2.28 0.00 -0.07 8.23 4.81 -1.94 -0.62 114.58 122.71 1dun h GLU 73 Ca -0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1dun h GLU 73 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1dun h GLU 73 CO 0.49 0.23 0.00 0.41 -0.73 0.00 0.00 179.01 179.41 1dun n GLY 74 N -0.29 -0.10 3.63 1.92 0.00 -1.26 -4.71 105.19 104.38 1dun n GLY 74 Ca -0.01 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1dun n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dun s TYR 75 N -1.92 3.31 -1.12 1.61 5.04 -0.24 -4.91 117.35 119.11 1dun s TYR 75 Ca 0.36 0.81 0.10 0.00 -2.44 0.00 0.00 57.07 55.89 1dun s TYR 75 Cb 0.19 -2.80 0.12 0.00 0.35 0.00 0.00 41.96 39.82 1dun s TYR 75 CO 0.30 -0.27 0.89 0.25 -1.34 0.00 0.00 175.55 175.38 1dun n THR 76 N 5.03 0.21 -1.83 4.34 -2.24 -1.26 -4.80 114.28 113.73 1dun n THR 76 Ca -0.02 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1dun n THR 76 Cb 0.49 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1dun n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dun n GLY 77 N 0.51 0.77 3.81 3.38 0.00 -1.26 -4.92 105.19 107.47 1dun n GLY 77 Ca 0.07 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 1dun n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dun s GLU 78 N -0.81 4.34 0.17 1.61 2.02 -1.26 -4.56 118.70 120.21 1dun s GLU 78 Ca 0.00 0.99 -0.30 0.00 0.02 0.00 0.00 54.97 55.68 1dun s GLU 78 Cb 0.00 -2.88 -0.08 0.00 0.10 0.00 0.00 34.13 31.28 1dun s GLU 78 CO 0.00 0.38 1.15 0.42 0.02 0.00 0.00 175.26 177.23 1dun s ILE 79 N -1.53 3.74 -0.01 -1.63 1.01 0.98 -4.93 121.20 118.84 1dun s ILE 79 Ca 0.44 1.46 0.08 0.00 0.00 0.00 0.00 60.65 62.63 1dun s ILE 79 Cb -0.17 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1dun s ILE 79 CO 0.22 0.23 -0.25 -1.10 0.00 0.00 0.00 174.94 174.04 1dun s GLN 80 N -0.18 2.09 -0.18 2.79 -0.21 -1.26 -2.25 119.66 120.45 1dun s GLN 80 Ca 0.52 -0.94 -0.00 0.00 0.02 0.00 0.00 55.36 54.95 1dun s GLN 80 Cb -0.31 -2.06 0.01 0.00 1.00 0.00 0.00 33.01 31.64 1dun s GLN 80 CO 0.35 0.56 -0.15 0.08 -2.12 0.00 0.00 175.29 174.01 1dun s VAL 81 N -0.67 2.58 -0.32 1.09 1.01 0.46 -4.92 120.40 119.63 1dun s VAL 81 Ca 0.11 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 1dun s VAL 81 Cb -0.10 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 1dun s VAL 81 CO -0.00 0.50 0.65 -0.63 0.00 0.00 0.00 175.10 175.62 1dun s ILE 82 N 1.19 4.90 -0.03 2.22 1.01 -1.26 -0.25 121.20 128.98 1dun s ILE 82 Ca 0.02 0.82 0.05 0.00 0.00 0.00 0.00 60.65 61.54 1dun s ILE 82 Cb -0.14 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 1dun s ILE 82 CO -0.06 -0.21 -0.18 0.00 0.00 0.00 0.00 174.94 174.49 1dun s THR 84 N -0.17 1.71 -0.42 0.00 2.01 0.07 -0.30 115.64 118.53 1dun s THR 84 Ca 0.01 -1.57 -0.14 0.00 0.31 0.00 0.00 61.69 60.30 1dun s THR 84 Cb -0.09 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.89 1dun s THR 84 CO 0.01 -0.09 0.31 0.21 -0.69 0.00 0.00 174.62 174.37 1dun s ASN 85 N -1.98 6.01 -0.18 3.53 3.84 -0.77 -0.53 114.94 124.87 1dun s ASN 85 Ca 0.07 -1.11 0.16 0.00 0.21 0.00 0.00 52.86 52.18 1dun s ASN 85 Cb -0.10 -2.13 0.66 0.00 -0.55 0.00 0.00 41.25 39.14 1dun s ASN 85 CO 0.04 -0.51 1.58 2.30 -2.79 0.00 0.00 177.10 177.72 1dun n ILE 86 N 5.12 2.34 -1.77 -5.21 -5.35 0.95 -1.92 119.36 113.53 1dun n ILE 86 Ca -0.12 -1.54 0.00 0.00 -0.27 0.00 0.00 62.75 60.82 1dun n ILE 86 Cb 0.45 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 1dun n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dun n GLY 87 N 0.25 0.33 0.10 3.28 0.00 -1.23 -4.88 105.19 103.04 1dun n GLY 87 Ca 0.24 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.44 1dun n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dun n LYS 88 N -0.83 2.19 -3.74 1.61 5.02 -1.26 -4.82 118.16 116.33 1dun n LYS 88 Ca 0.00 -2.08 -0.10 0.00 -2.02 0.00 0.00 58.31 54.11 1dun n LYS 88 Cb 0.00 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1dun n LYS 88 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dun s SER 89 N -1.91 -0.25 0.48 4.39 0.15 -1.26 -5.02 113.70 110.27 1dun s SER 89 Ca 0.18 -0.49 -0.21 0.00 0.70 0.00 0.00 55.95 56.12 1dun s SER 89 Cb 0.15 0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 64.94 1dun s SER 89 CO 0.02 -1.05 0.75 0.59 1.20 0.00 0.00 173.24 174.76 1dun n ASN 90 N -0.34 0.03 -4.45 5.45 3.02 -1.26 -4.54 115.26 113.16 1dun n ASN 90 Ca -0.10 0.89 -0.34 0.00 -0.03 0.00 0.00 54.58 55.01 1dun n ASN 90 Cb 0.62 -1.25 -0.13 0.00 -0.61 0.00 0.00 39.78 38.42 1dun n ASN 90 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dun s ILE 91 N -1.47 3.66 -0.22 2.41 1.01 -0.20 -4.96 121.20 121.43 1dun s ILE 91 Ca 0.66 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 1dun s ILE 91 Cb -0.52 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1dun s ILE 91 CO 0.55 0.49 -0.06 -0.75 0.00 0.00 0.00 174.94 175.17 1dun s LYS 92 N 0.48 3.19 -0.22 2.79 2.20 -1.26 -0.41 119.74 126.51 1dun s LYS 92 Ca -0.05 -0.74 -0.09 0.00 -0.36 0.00 0.00 55.97 54.73 1dun s LYS 92 Cb -0.15 -2.95 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 1dun s LYS 92 CO 0.03 -0.25 0.12 -0.51 -0.36 0.00 0.00 175.35 174.38 1dun s LEU 93 N 1.42 3.99 0.13 5.43 1.43 0.01 -4.99 118.68 126.10 1dun s LEU 93 Ca 0.04 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1dun s LEU 93 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1dun s LEU 93 CO -0.05 0.11 0.31 0.27 0.23 0.00 0.00 176.35 177.22 1dun s ILE 94 N 0.77 5.28 0.11 -0.59 -0.00 -1.26 -0.72 121.20 124.80 1dun s ILE 94 Ca 0.06 -0.35 -0.36 0.00 -0.00 0.00 0.00 60.65 60.01 1dun s ILE 94 Cb -0.13 -3.68 -0.16 0.00 -0.00 0.00 0.00 42.46 38.50 1dun s ILE 94 CO 0.02 -0.01 1.38 1.21 -0.00 0.00 0.00 174.94 177.54 1dun n GLU 95 N -0.17 1.40 -0.88 0.37 2.13 -1.26 -1.52 120.64 120.72 1dun n GLU 95 Ca -0.05 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1dun n GLU 95 Cb 0.52 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1dun n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dun n GLY 96 N 2.67 0.93 3.77 8.31 0.00 -0.30 -4.96 105.19 115.60 1dun n GLY 96 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1dun n GLY 96 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dun s GLN 97 N -0.12 3.67 -0.28 1.61 0.74 -0.57 -4.59 119.66 120.11 1dun s GLN 97 Ca 0.00 1.83 -0.28 0.00 0.05 0.00 0.00 55.36 56.96 1dun s GLN 97 Cb 0.00 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.74 1dun s GLN 97 CO 0.00 -0.64 1.00 0.15 -0.55 0.00 0.00 175.29 175.25 1dun s LYS 98 N -2.74 4.12 0.00 1.67 3.01 -1.26 -1.35 119.74 123.19 1dun s LYS 98 Ca 0.65 1.08 0.00 0.00 -1.01 0.00 0.00 55.97 56.69 1dun s LYS 98 Cb -0.30 -3.70 0.00 0.00 -1.01 0.00 0.00 37.83 32.82 1dun s LYS 98 CO 0.36 -0.75 0.00 1.97 0.51 0.00 0.00 175.35 177.44 1dun n PHE 99 N 6.53 0.00 -3.91 3.18 -1.74 -0.33 -4.95 117.46 116.25 1dun n PHE 99 Ca 0.10 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.91 1dun n PHE 99 Cb 0.47 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.43 1dun n PHE 99 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1dun s ALA 100 N -1.07 -0.79 0.05 1.98 0.00 -1.23 -4.63 121.76 116.07 1dun s ALA 100 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1dun s ALA 100 Cb 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1dun s ALA 100 CO 0.00 -0.95 -0.06 1.14 0.00 0.00 0.00 175.76 175.89 1dun s GLN 101 N -3.96 0.58 -0.18 0.00 -2.07 -0.15 -0.86 119.66 113.02 1dun s GLN 101 Ca 0.16 -0.95 -0.03 0.00 -1.82 0.00 0.00 55.36 52.72 1dun s GLN 101 Cb -0.03 -0.13 -0.02 0.00 -1.09 0.00 0.00 33.01 31.74 1dun s GLN 101 CO 0.07 -0.01 -0.06 -1.17 -1.32 0.00 0.00 175.29 172.80 1dun s LEU 102 N -2.13 2.94 -0.02 2.60 2.96 -0.08 -0.88 118.68 124.06 1dun s LEU 102 Ca -0.03 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1dun s LEU 102 Cb -0.03 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1dun s LEU 102 CO -0.03 0.08 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.21 1dun s ILE 103 N 0.87 1.92 -0.20 6.68 1.01 -0.44 -0.47 121.20 130.58 1dun s ILE 103 Ca -0.02 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 1dun s ILE 103 Cb -0.15 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1dun s ILE 103 CO 0.01 0.54 0.02 -0.63 0.00 0.00 0.00 174.94 174.89 1dun s ILE 104 N -0.50 4.18 0.12 2.92 -1.09 -1.26 -0.78 121.20 124.79 1dun s ILE 104 Ca 0.07 -0.24 0.06 0.00 -2.23 0.00 0.00 60.65 58.32 1dun s ILE 104 Cb -0.10 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1dun s ILE 104 CO -0.00 0.42 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.23 1dun s LEU 105 N 0.94 2.40 0.02 2.97 1.43 -0.46 -4.98 118.68 121.00 1dun s LEU 105 Ca 0.02 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 1dun s LEU 105 Cb -0.14 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1dun s LEU 105 CO 0.02 -0.14 0.37 -1.10 0.23 0.00 0.00 176.35 175.73 1dun s GLN 106 N -2.66 3.78 0.44 1.70 -0.21 -1.26 -0.74 119.66 120.71 1dun s GLN 106 Ca 0.09 0.23 0.07 0.00 0.02 0.00 0.00 55.36 55.77 1dun s GLN 106 Cb -0.05 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.82 1dun s GLN 106 CO 0.03 0.64 0.30 -3.38 -2.12 0.00 0.00 175.29 170.77 1dun s HIS 107 N -1.22 2.47 -0.29 0.91 -3.43 0.24 -4.95 115.29 109.03 1dun s HIS 107 Ca 0.27 -0.59 0.15 0.00 -0.80 0.00 0.00 55.06 54.08 1dun s HIS 107 Cb -0.15 -2.04 0.48 0.00 -1.43 0.00 0.00 32.58 29.44 1dun s HIS 107 CO 0.15 -0.06 1.13 0.72 -2.00 0.00 0.00 174.74 174.67 1dun n HIS 108 N -1.46 2.01 -1.58 0.38 -0.00 -1.26 -4.80 115.22 108.51 1dun n HIS 108 Ca 0.01 -2.29 -0.29 0.00 -0.00 0.00 0.00 57.72 55.14 1dun n HIS 108 Cb 0.63 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.99 30.31 1dun n HIS 108 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1dun n SER 109 N -0.59 6.68 -3.64 0.41 7.64 -1.26 -4.84 113.62 118.02 1dun n SER 109 Ca 0.24 -3.29 -0.09 0.00 1.01 0.00 0.00 58.87 56.75 1dun n SER 109 Cb 0.86 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.82 1dun n SER 109 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dun s ASN 110 N 0.15 -0.05 -0.61 6.43 2.20 -1.26 -5.05 114.94 116.75 1dun s ASN 110 Ca 0.58 -0.89 -0.01 0.00 -0.94 0.00 0.00 52.86 51.60 1dun s ASN 110 Cb 0.38 0.71 0.00 0.00 -2.00 0.00 0.00 41.25 40.34 1dun s ASN 110 CO -0.24 -1.36 0.58 -1.20 -2.94 0.00 0.00 177.10 171.93 1dun n SER 111 N -0.73 -6.85 -4.76 3.54 7.64 -1.26 -4.96 113.62 106.24 1dun n SER 111 Ca -0.04 -0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.40 1dun n SER 111 Cb 0.60 -4.61 -0.03 0.00 -1.01 0.00 0.00 64.21 59.16 1dun n SER 111 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1dun s ARG 112 N -2.97 4.53 0.26 1.43 3.52 -1.26 -5.03 118.95 119.43 1dun s ARG 112 Ca 0.01 1.96 0.10 0.00 -0.13 0.00 0.00 55.73 57.67 1dun s ARG 112 Cb -0.00 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 1dun s ARG 112 CO 0.63 0.04 -0.09 -0.65 -0.81 0.00 0.00 175.30 174.42 1dun s GLN 113 N -1.44 2.03 0.58 5.12 -1.52 -1.26 -5.12 119.66 118.05 1dun s GLN 113 Ca 0.47 -1.54 -0.20 0.00 -1.95 0.00 0.00 55.36 52.14 1dun s GLN 113 Cb -0.35 -2.00 -0.03 0.00 -0.22 0.00 0.00 33.01 30.40 1dun s GLN 113 CO 0.45 0.36 1.29 -2.14 -0.25 0.00 0.00 175.29 174.99 1dun s PRO 114 N -3.53 2.95 0.23 2.91 0.02 -1.26 -4.96 135.00 131.36 1dun s PRO 114 Ca 0.30 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 63.07 1dun s PRO 114 Cb -0.06 -2.05 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 1dun s PRO 114 CO 0.17 -1.29 1.48 -0.46 -0.33 0.00 0.00 177.00 176.58 1dun s TRP 115 N -1.41 3.01 -0.37 6.54 -0.11 -1.26 -5.00 118.94 120.33 1dun s TRP 115 Ca 0.76 0.91 -0.17 0.00 1.22 0.00 0.00 56.10 58.82 1dun s TRP 115 Cb -0.36 -3.87 0.00 0.00 -1.50 0.00 0.00 33.47 27.74 1dun s TRP 115 CO 0.41 -2.93 0.45 0.34 -4.62 0.00 0.00 176.95 170.60 1dun s ASP 116 N 0.58 6.24 0.36 5.86 -1.08 -1.26 -4.94 116.67 122.43 1dun s ASP 116 Ca 0.62 -0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.63 1dun s ASP 116 Cb -0.43 -2.23 0.88 0.00 -1.46 0.00 0.00 42.92 39.68 1dun s ASP 116 CO 0.41 -0.48 1.77 -0.33 0.52 0.00 0.00 175.17 177.06 1dun h GLU 117 N 8.56 0.00 -0.00 4.34 4.39 -2.06 -2.98 114.58 126.83 1dun h GLU 117 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1dun h GLU 117 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1dun h GLU 117 CO 0.76 0.00 -0.41 0.09 -1.16 0.00 0.00 179.01 178.29 1dun n ASN 118 N -2.67 0.81 -4.69 1.42 3.02 -1.26 -4.91 115.26 106.99 1dun n ASN 118 Ca 0.03 -0.62 -0.43 0.00 -0.03 0.00 0.00 54.58 53.53 1dun n ASN 118 Cb 0.37 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 1dun n ASN 118 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1dun n LYS 119 N -1.06 2.76 -0.56 3.52 4.81 -1.13 -5.34 118.16 121.16 1dun n LYS 119 Ca 0.09 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 1dun n LYS 119 Cb 0.34 -2.90 0.00 0.00 0.02 0.00 0.00 35.03 32.49 1dun n LYS 119 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68