#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmc s SER 2 N 0.00 1.28 0.02 1.61 0.01 -1.26 -5.16 113.70 110.21 2dmc s SER 2 Ca 0.00 -0.54 -0.28 0.00 1.31 0.00 0.00 55.95 56.45 2dmc s SER 2 Cb 0.00 -0.02 0.08 0.00 0.21 0.00 0.00 66.02 66.28 2dmc s SER 2 CO 0.00 -0.10 0.71 -0.94 0.41 0.00 0.00 173.24 173.31 2dmc s SER 3 N -1.49 -0.57 0.09 2.44 1.04 -1.26 -5.19 113.70 108.76 2dmc s SER 3 Ca -0.04 0.36 -0.25 0.00 0.48 0.00 0.00 55.95 56.49 2dmc s SER 3 Cb -0.09 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.63 2dmc s SER 3 CO 0.01 -0.71 1.16 -0.83 0.98 0.00 0.00 173.24 173.85 2dmc s GLY 4 N -1.86 -0.00 0.42 7.32 0.00 -1.26 -5.18 107.32 106.75 2dmc s GLY 4 Ca -0.04 -0.15 0.08 0.00 0.00 0.00 0.00 44.72 44.60 2dmc s GLY 4 CO -0.01 3.99 0.41 -1.35 0.00 0.00 0.00 173.10 176.14 2dmc s SER 5 N -3.60 5.13 0.46 1.64 1.04 -1.26 -5.15 113.70 111.97 2dmc s SER 5 Ca 0.26 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 56.01 2dmc s SER 5 Cb -0.02 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.51 2dmc s SER 5 CO 0.02 -0.68 0.05 -0.44 0.98 0.00 0.00 173.24 173.18 2dmc s SER 6 N -4.17 3.57 0.00 7.02 0.01 -1.26 -5.11 113.70 113.76 2dmc s SER 6 Ca 0.49 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2dmc s SER 6 Cb -0.04 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2dmc s SER 6 CO 0.29 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2dmc n GLY 7 N -1.10 1.07 3.33 3.44 0.00 -1.26 -5.12 105.19 105.54 2dmc n GLY 7 Ca -0.13 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2dmc n GLY 7 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dmc n ILE 8 N 0.00 0.83 -0.32 -0.61 -0.00 -1.26 -4.96 119.36 113.04 2dmc n ILE 8 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.25 2dmc n ILE 8 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 39.64 39.51 2dmc n ILE 8 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2dmc n PRO 9 N 1.16 -0.33 -2.94 6.28 -0.04 -1.26 -5.06 135.00 132.80 2dmc n PRO 9 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 2dmc n PRO 9 Cb 0.41 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.90 2dmc n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dmc n GLY 10 N 2.46 1.80 2.58 0.55 0.00 -1.26 -5.13 105.19 106.18 2dmc n GLY 10 Ca 0.00 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 2dmc n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmc n SER 11 N 0.65 -1.22 -0.02 1.61 7.64 -1.26 -4.88 113.62 116.15 2dmc n SER 11 Ca 0.15 0.81 -0.13 0.00 1.01 0.00 0.00 58.87 60.71 2dmc n SER 11 Cb 0.66 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 2dmc n SER 11 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2dmc h PRO 12 N 0.65 0.03 -0.91 1.43 0.13 -2.00 -3.47 132.00 127.85 2dmc h PRO 12 Ca -0.23 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.71 2dmc h PRO 12 Cb 1.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2dmc h PRO 12 CO 0.42 0.51 -0.20 0.34 -0.23 0.00 0.00 178.00 178.84 2dmc n PHE 13 N -4.83 -0.24 0.58 1.56 7.35 -1.26 -4.90 117.46 115.71 2dmc n PHE 13 Ca -0.08 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.73 2dmc n PHE 13 Cb 0.26 -2.06 0.17 0.00 0.35 0.00 0.00 39.48 38.21 2dmc n PHE 13 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2dmc n THR 14 N -3.47 0.35 -5.24 -2.13 -2.24 -1.26 -4.83 114.28 95.46 2dmc n THR 14 Ca -0.10 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.10 2dmc n THR 14 Cb 0.46 -0.12 -0.17 0.00 -2.10 0.00 0.00 70.33 68.41 2dmc n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmc s ALA 15 N -3.16 2.19 -0.03 6.98 0.00 -1.26 -5.12 121.76 121.34 2dmc s ALA 15 Ca 0.06 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.74 2dmc s ALA 15 Cb 0.13 -0.73 0.06 0.00 0.00 0.00 0.00 23.12 22.58 2dmc s ALA 15 CO 0.72 0.38 0.57 0.21 0.00 0.00 0.00 175.76 177.64 2dmc s LYS 16 N -0.02 0.95 -0.17 0.00 2.36 -1.26 -5.14 119.74 116.46 2dmc s LYS 16 Ca -0.08 0.11 -0.05 0.00 -2.55 0.00 0.00 55.97 53.40 2dmc s LYS 16 Cb -0.15 0.44 0.08 0.00 -1.05 0.00 0.00 37.83 37.16 2dmc s LYS 16 CO 0.05 -0.29 0.30 0.42 1.55 0.00 0.00 175.35 177.38 2dmc s ILE 17 N -1.29 -0.48 0.06 5.43 1.01 -1.26 -5.15 121.20 119.52 2dmc s ILE 17 Ca -0.11 0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2dmc s ILE 17 Cb -0.01 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 2dmc s ILE 17 CO 0.08 0.03 -0.16 0.42 0.00 0.00 0.00 174.94 175.31 2dmc s THR 18 N 2.46 1.28 0.22 2.92 -4.23 -1.26 -5.15 115.64 111.88 2dmc s THR 18 Ca 0.03 -1.22 0.06 0.00 -1.18 0.00 0.00 61.69 59.39 2dmc s THR 18 Cb -0.13 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 2dmc s THR 18 CO -0.11 -0.06 0.19 1.51 -0.54 0.00 0.00 174.62 175.62 2dmc s ASP 19 N -1.47 5.60 0.03 3.99 -4.77 -1.26 -5.06 116.67 113.73 2dmc s ASP 19 Ca 0.02 -0.18 -0.30 0.00 -3.30 0.00 0.00 52.55 48.78 2dmc s ASP 19 Cb -0.09 -1.46 -0.08 0.00 -1.09 0.00 0.00 42.92 40.20 2dmc s ASP 19 CO 0.02 -0.01 1.67 -1.81 0.70 0.00 0.00 175.17 175.74 2dmc s ASP 20 N -3.64 6.61 -0.04 2.11 1.01 -1.26 -4.87 116.67 116.59 2dmc s ASP 20 Ca 0.32 2.43 -0.02 0.00 0.71 0.00 0.00 52.55 55.99 2dmc s ASP 20 Cb -0.09 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 2dmc s ASP 20 CO 0.25 -0.91 2.48 -1.20 0.21 0.00 0.00 175.17 176.00 2dmc n SER 21 N 6.14 5.45 -1.64 0.27 7.64 -1.26 -4.55 113.62 125.68 2dmc n SER 21 Ca 0.16 -2.51 -0.06 0.00 1.01 0.00 0.00 58.87 57.47 2dmc n SER 21 Cb 0.41 -1.21 0.02 0.00 -1.01 0.00 0.00 64.21 62.42 2dmc n SER 21 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2dmc n ARG 22 N 1.66 1.31 -3.62 1.43 1.85 -1.26 -4.70 116.66 113.33 2dmc n ARG 22 Ca 0.16 -0.60 -0.06 0.00 -1.00 0.00 0.00 57.85 56.34 2dmc n ARG 22 Cb 0.62 -1.24 -0.08 0.00 -1.05 0.00 0.00 32.46 30.72 2dmc n ARG 22 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2dmc s ARG 23 N -0.70 0.39 1.07 2.89 3.52 -1.26 -5.16 118.95 119.70 2dmc s ARG 23 Ca 0.12 1.10 -0.20 0.00 -0.13 0.00 0.00 55.73 56.61 2dmc s ARG 23 Cb 0.09 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 2dmc s ARG 23 CO -0.00 -0.28 -0.34 0.00 -0.81 0.00 0.00 175.30 173.87 2dmc s SER 25 N -1.64 4.32 -0.24 0.00 0.01 -1.26 -5.09 113.70 109.81 2dmc s SER 25 Ca 0.51 -0.93 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 2dmc s SER 25 Cb -0.08 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.51 2dmc s SER 25 CO 0.67 -0.14 1.02 -1.58 0.41 0.00 0.00 173.24 173.63 2dmc s GLN 26 N 1.30 4.24 0.24 12.44 0.74 -1.26 -4.51 119.66 132.85 2dmc s GLN 26 Ca -0.01 1.30 0.11 0.00 0.05 0.00 0.00 55.36 56.82 2dmc s GLN 26 Cb -0.17 -3.65 -0.05 0.00 1.10 0.00 0.00 33.01 30.25 2dmc s GLN 26 CO -0.05 -0.64 -0.16 0.08 -0.55 0.00 0.00 175.29 173.97 2dmc s VAL 27 N 3.20 2.71 -0.65 1.34 1.01 -1.26 -5.00 120.40 121.75 2dmc s VAL 27 Ca 0.43 -2.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.10 2dmc s VAL 27 Cb -0.15 -2.38 0.10 0.00 0.00 0.00 0.00 36.38 33.95 2dmc s VAL 27 CO 0.07 -0.28 0.81 -0.54 0.00 0.00 0.00 175.10 175.16 2dmc s LYS 28 N -3.22 3.13 0.34 2.72 -0.14 -1.26 -4.36 119.74 116.95 2dmc s LYS 28 Ca 0.27 -1.30 -0.28 0.00 -1.36 0.00 0.00 55.97 53.30 2dmc s LYS 28 Cb -0.07 -4.32 -0.12 0.00 -1.68 0.00 0.00 37.83 31.64 2dmc s LYS 28 CO 0.14 -1.62 1.27 -0.11 -0.76 0.00 0.00 175.35 174.27 2dmc n LEU 29 N 6.58 3.41 -1.13 3.17 7.94 -1.26 -1.92 117.00 133.79 2dmc n LEU 29 Ca -0.04 1.21 -0.11 0.00 -1.11 0.00 0.00 56.01 55.95 2dmc n LEU 29 Cb 0.44 -1.47 -0.02 0.00 0.53 0.00 0.00 43.42 42.90 2dmc n LEU 29 CO 0.58 -0.56 -0.13 0.61 -1.11 0.00 0.00 177.39 176.78 2dmc n GLY 30 N 0.81 0.31 3.34 -3.96 0.00 0.58 -5.00 105.19 101.28 2dmc n GLY 30 Ca 0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 2dmc n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmc s SER 31 N -2.62 -0.44 -0.01 1.61 0.01 -0.81 -5.03 113.70 106.42 2dmc s SER 31 Ca 0.00 1.10 -0.40 0.00 1.31 0.00 0.00 55.95 57.96 2dmc s SER 31 Cb 0.00 1.55 -0.20 0.00 0.21 0.00 0.00 66.02 67.58 2dmc s SER 31 CO 0.00 -0.23 1.10 0.00 0.41 0.00 0.00 173.24 174.52 2dmc n ALA 32 N 5.40 -3.41 -3.18 1.44 0.00 -1.26 -4.66 120.51 114.84 2dmc n ALA 32 Ca -0.09 0.59 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 2dmc n ALA 32 Cb 0.49 -1.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 2dmc n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmc s ALA 33 N 0.12 -0.05 0.22 0.00 0.00 -1.08 -4.99 121.76 115.99 2dmc s ALA 33 Ca 0.91 0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 2dmc s ALA 33 Cb -1.26 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 21.66 2dmc s ALA 33 CO 0.57 -0.05 0.62 -0.51 0.00 0.00 0.00 175.76 176.39 2dmc s ASP 34 N 0.37 6.79 0.07 0.00 1.11 -1.26 -4.01 116.67 119.73 2dmc s ASP 34 Ca -0.03 1.12 0.07 0.00 0.18 0.00 0.00 52.55 53.89 2dmc s ASP 34 Cb -0.04 -2.31 -0.03 0.00 1.07 0.00 0.00 42.92 41.61 2dmc s ASP 34 CO -0.01 -0.03 -0.18 -0.36 1.18 0.00 0.00 175.17 175.77 2dmc s PHE 35 N -1.69 1.55 -0.37 4.23 0.40 -1.21 -5.02 117.98 115.88 2dmc s PHE 35 Ca 0.45 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2dmc s PHE 35 Cb -0.13 -0.88 0.09 0.00 0.51 0.00 0.00 43.02 42.61 2dmc s PHE 35 CO 0.20 0.11 0.14 -1.17 0.70 0.00 0.00 175.22 175.20 2dmc s LEU 36 N -1.56 4.82 -0.09 -0.37 2.96 -1.26 -3.70 118.68 119.48 2dmc s LEU 36 Ca 0.04 -1.79 -0.03 0.00 -0.22 0.00 0.00 54.13 52.13 2dmc s LEU 36 Cb -0.09 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2dmc s LEU 36 CO 0.03 -0.45 0.03 -1.48 -1.32 0.00 0.00 176.35 173.16 2dmc s LEU 37 N 1.17 3.73 -0.62 -0.68 2.34 -1.26 -5.06 118.68 118.30 2dmc s LEU 37 Ca 0.04 0.21 -0.25 0.00 0.06 0.00 0.00 54.13 54.19 2dmc s LEU 37 Cb -0.22 -1.87 0.04 0.00 -0.56 0.00 0.00 46.19 43.59 2dmc s LEU 37 CO -0.03 0.38 1.08 -0.62 -1.06 0.00 0.00 176.35 176.10 2dmc s ASP 38 N -0.91 6.29 0.04 1.48 2.15 -1.26 -4.79 116.67 119.66 2dmc s ASP 38 Ca 0.14 -0.38 0.03 0.00 0.43 0.00 0.00 52.55 52.76 2dmc s ASP 38 Cb -0.11 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 2dmc s ASP 38 CO 0.03 -1.47 -0.09 0.27 -0.17 0.00 0.00 175.17 173.74 2dmc s ILE 39 N 4.61 0.70 -0.36 4.11 -4.36 -1.26 -4.89 121.20 119.76 2dmc s ILE 39 Ca 0.33 -0.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.80 2dmc s ILE 39 Cb -0.11 -0.70 0.36 0.00 1.25 0.00 0.00 42.46 43.26 2dmc s ILE 39 CO 0.18 -0.19 1.80 -1.20 0.24 0.00 0.00 174.94 175.77 2dmc n SER 40 N 1.81 5.15 -3.95 4.36 7.64 -1.26 -4.83 113.62 122.54 2dmc n SER 40 Ca -0.20 -3.15 -0.28 0.00 1.01 0.00 0.00 58.87 56.25 2dmc n SER 40 Cb 0.55 -0.87 -0.17 0.00 -1.01 0.00 0.00 64.21 62.71 2dmc n SER 40 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2dmc s GLU 41 N -2.26 1.84 -0.18 1.43 2.02 -1.26 -5.02 118.70 115.26 2dmc s GLU 41 Ca 0.39 -0.38 -0.23 0.00 0.02 0.00 0.00 54.97 54.77 2dmc s GLU 41 Cb 0.31 -1.79 -0.22 0.00 0.10 0.00 0.00 34.13 32.54 2dmc s GLU 41 CO 0.03 -0.25 0.40 1.79 0.02 0.00 0.00 175.26 177.25 2dmc h THR 42 N 6.12 1.17 -1.98 3.63 1.35 -2.02 -3.48 112.91 117.69 2dmc h THR 42 Ca -0.33 -2.25 -0.58 0.00 -0.55 0.00 0.00 66.41 62.70 2dmc h THR 42 Cb 1.13 2.59 0.20 0.00 -1.73 0.00 0.00 68.15 70.34 2dmc h THR 42 CO 0.46 0.43 -1.37 -0.67 -0.25 0.00 0.00 175.52 174.12 2dmc n ASP 43 N -4.43 -4.38 -0.01 5.36 -0.08 -1.26 -4.95 116.55 106.80 2dmc n ASP 43 Ca -0.25 0.50 -0.04 0.00 -1.51 0.00 0.00 54.79 53.49 2dmc n ASP 43 Cb 0.65 -0.81 -0.01 0.00 2.34 0.00 0.00 41.12 43.28 2dmc n ASP 43 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dmc n LEU 44 N 2.79 0.56 -0.19 -2.67 4.77 -1.26 -4.60 117.00 116.41 2dmc n LEU 44 Ca 0.05 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 2dmc n LEU 44 Cb 0.49 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2dmc n LEU 44 CO 0.53 -0.13 0.83 -1.28 -1.33 0.00 0.00 177.39 176.01 2dmc h SER 45 N -0.15 0.90 -0.02 -1.43 0.87 -1.95 -2.42 113.55 109.35 2dmc h SER 45 Ca -0.08 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.19 2dmc h SER 45 Cb 0.83 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2dmc h SER 45 CO -0.05 0.97 0.05 0.28 -0.53 0.00 0.00 176.83 177.55 2dmc h SER 46 N 0.80 0.00 -2.60 6.23 0.02 -1.97 -3.42 113.55 112.61 2dmc h SER 46 Ca 0.15 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.64 2dmc h SER 46 Cb 0.49 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2dmc h SER 46 CO 0.02 0.00 -0.23 -0.76 -1.14 0.00 0.00 176.83 174.72 2dmc s LEU 47 N -6.79 4.01 0.15 5.07 1.43 -0.91 -2.97 118.68 118.66 2dmc s LEU 47 Ca -0.05 0.31 0.10 0.00 -1.03 0.00 0.00 54.13 53.46 2dmc s LEU 47 Cb 0.14 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2dmc s LEU 47 CO 0.46 -0.33 -0.20 -0.89 0.23 0.00 0.00 176.35 175.62 2dmc s THR 48 N -2.28 2.65 -0.10 5.49 2.01 0.17 -4.92 115.64 118.66 2dmc s THR 48 Ca 0.41 -1.71 0.02 0.00 0.31 0.00 0.00 61.69 60.71 2dmc s THR 48 Cb -0.10 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.19 2dmc s THR 48 CO 0.35 0.01 -0.14 0.00 -0.69 0.00 0.00 174.62 174.15 2dmc s ALA 49 N -1.34 1.57 -0.16 7.40 0.00 -1.26 -3.77 121.76 124.21 2dmc s ALA 49 Ca 0.19 -0.65 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 2dmc s ALA 49 Cb -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.27 2dmc s ALA 49 CO 0.10 -0.08 0.42 -1.12 0.00 0.00 0.00 175.76 175.07 2dmc s SER 50 N 1.01 -0.45 -0.02 0.00 0.01 -0.98 -4.86 113.70 108.42 2dmc s SER 50 Ca -0.07 0.85 -0.01 0.00 1.31 0.00 0.00 55.95 58.02 2dmc s SER 50 Cb -0.15 0.84 0.01 0.00 0.21 0.00 0.00 66.02 66.93 2dmc s SER 50 CO -0.01 -0.15 0.04 -0.63 0.41 0.00 0.00 173.24 172.90 2dmc s ILE 51 N 0.39 -0.01 -0.05 1.44 1.01 -1.26 0.41 121.20 123.13 2dmc s ILE 51 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 2dmc s ILE 51 Cb -0.04 -0.08 0.03 0.00 0.01 0.00 0.00 42.46 42.39 2dmc s ILE 51 CO -0.01 0.01 0.03 -0.75 0.00 0.00 0.00 174.94 174.22 2dmc s LYS 52 N 0.18 0.22 1.07 2.79 2.47 -1.16 -2.59 119.74 122.73 2dmc s LYS 52 Ca -0.01 0.24 -0.12 0.00 -1.56 0.00 0.00 55.97 54.52 2dmc s LYS 52 Cb -0.02 -0.67 0.23 0.00 -1.46 0.00 0.00 37.83 35.90 2dmc s LYS 52 CO -0.01 -0.29 1.07 0.00 0.16 0.00 0.00 175.35 176.28 2dmc s ALA 53 N 1.94 0.28 -0.86 3.13 0.00 -0.61 -3.70 121.76 121.94 2dmc s ALA 53 Ca 0.03 0.13 0.17 0.00 0.00 0.00 0.00 51.96 52.28 2dmc s ALA 53 Cb -0.12 -3.32 0.71 0.00 0.00 0.00 0.00 23.12 20.39 2dmc s ALA 53 CO -0.04 -3.41 1.52 -0.35 0.00 0.00 0.00 175.76 173.49 2dmc n PRO 54 N -4.64 0.05 -0.34 0.00 -0.04 -1.26 -1.99 135.00 126.78 2dmc n PRO 54 Ca 0.06 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2dmc n PRO 54 Cb 0.53 -1.60 0.31 0.00 -0.04 0.00 0.00 33.50 32.70 2dmc n PRO 54 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmc n SER 55 N -1.70 3.81 -0.32 3.54 2.88 -1.26 -4.92 113.62 115.65 2dmc n SER 55 Ca 0.03 -2.00 -0.03 0.00 -1.33 0.00 0.00 58.87 55.54 2dmc n SER 55 Cb 0.18 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.18 2dmc n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmc n GLY 56 N 1.63 0.42 3.32 0.46 0.00 -0.84 -5.02 105.19 105.16 2dmc n GLY 56 Ca 0.24 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 2dmc n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmc s ARG 57 N -3.28 2.70 0.78 1.61 0.52 -1.25 -4.90 118.95 115.13 2dmc s ARG 57 Ca 0.00 -1.18 -0.12 0.00 -0.52 0.00 0.00 55.73 53.90 2dmc s ARG 57 Cb 0.00 -3.64 0.07 0.00 0.52 0.00 0.00 34.95 31.90 2dmc s ARG 57 CO 0.00 -0.73 1.15 0.34 0.02 0.00 0.00 175.30 176.08 2dmc s ASP 58 N 1.59 4.03 0.01 0.23 -1.08 -1.26 -1.57 116.67 118.62 2dmc s ASP 58 Ca 0.01 2.13 0.01 0.00 -0.52 0.00 0.00 52.55 54.17 2dmc s ASP 58 Cb -0.20 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.69 2dmc s ASP 58 CO 0.04 -2.36 -0.03 -1.61 0.52 0.00 0.00 175.17 171.74 2dmc s GLU 59 N -4.38 0.22 -0.40 4.34 0.41 -1.07 -4.87 118.70 112.94 2dmc s GLU 59 Ca 0.68 -0.24 -0.28 0.00 -0.41 0.00 0.00 54.97 54.72 2dmc s GLU 59 Cb -0.23 -0.11 -0.01 0.00 -1.78 0.00 0.00 34.13 32.00 2dmc s GLU 59 CO 0.51 0.02 1.73 -1.25 -0.49 0.00 0.00 175.26 175.78 2dmc s PRO 60 N -0.47 3.24 0.07 0.39 0.04 -1.26 -4.43 135.00 132.58 2dmc s PRO 60 Ca -0.04 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.23 2dmc s PRO 60 Cb -0.03 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 2dmc s PRO 60 CO -0.00 -1.97 -0.12 0.00 0.04 0.00 0.00 177.00 174.94 2dmc s LEU 62 N -1.84 2.11 -0.22 0.00 1.98 0.21 -4.92 118.68 116.00 2dmc s LEU 62 Ca 0.18 -0.32 -0.13 0.00 -2.89 0.00 0.00 54.13 50.98 2dmc s LEU 62 Cb -0.11 -0.42 -0.04 0.00 0.66 0.00 0.00 46.19 46.27 2dmc s LEU 62 CO 0.10 0.02 0.27 -0.76 -1.89 0.00 0.00 176.35 174.09 2dmc s LEU 63 N -0.75 4.14 0.37 -0.68 1.43 -1.26 0.35 118.68 122.29 2dmc s LEU 63 Ca 0.00 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2dmc s LEU 63 Cb -0.06 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2dmc s LEU 63 CO 0.00 0.01 0.13 -1.59 0.23 0.00 0.00 176.35 175.13 2dmc s LYS 64 N 1.12 1.82 -0.27 1.70 -2.85 -1.20 -5.01 119.74 115.06 2dmc s LYS 64 Ca 0.13 -2.08 -0.06 0.00 -1.00 0.00 0.00 55.97 52.96 2dmc s LYS 64 Cb -0.14 -0.53 -0.00 0.00 -2.06 0.00 0.00 37.83 35.10 2dmc s LYS 64 CO 0.06 -0.44 0.04 0.50 0.10 0.00 0.00 175.35 175.61 2dmc s ARG 65 N -3.75 3.24 0.35 1.78 3.00 -1.26 -3.72 118.95 118.59 2dmc s ARG 65 Ca 0.28 -0.74 -0.12 0.00 -1.00 0.00 0.00 55.73 54.15 2dmc s ARG 65 Cb 0.04 -3.26 -0.07 0.00 0.00 0.00 0.00 34.95 31.66 2dmc s ARG 65 CO 0.16 -0.34 0.72 -0.51 0.00 0.00 0.00 175.30 175.33 2dmc s LEU 66 N 1.51 3.97 1.13 -0.88 1.43 0.18 -4.97 118.68 121.05 2dmc s LEU 66 Ca 0.04 1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 54.11 2dmc s LEU 66 Cb -0.16 -3.97 0.25 0.00 0.03 0.00 0.00 46.19 42.34 2dmc s LEU 66 CO 0.01 -0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.25 2dmc s PRO 67 N -3.40 -0.66 -1.57 1.29 0.04 -1.26 -2.29 135.00 127.15 2dmc s PRO 67 Ca 0.51 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2dmc s PRO 67 Cb -0.10 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2dmc s PRO 67 CO 0.25 -3.38 0.00 0.09 0.04 0.00 0.00 177.00 174.00 2dmc n ASN 68 N -4.56 -5.06 -3.03 6.66 4.13 -1.26 -2.50 115.26 109.64 2dmc n ASN 68 Ca 0.10 0.10 -0.15 0.00 1.68 0.00 0.00 54.58 56.31 2dmc n ASN 68 Cb 0.59 -4.13 0.07 0.00 -1.54 0.00 0.00 39.78 34.77 2dmc n ASN 68 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2dmc n ASN 69 N -1.15 -2.70 -4.22 6.41 3.02 -1.26 -5.03 115.26 110.33 2dmc n ASN 69 Ca -0.20 -0.50 -0.14 0.00 -0.03 0.00 0.00 54.58 53.71 2dmc n ASN 69 Cb 0.63 -4.34 -0.10 0.00 -0.61 0.00 0.00 39.78 35.36 2dmc n ASN 69 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2dmc s HIS 70 N -3.29 1.17 -0.07 3.10 3.76 -0.97 -5.06 115.29 113.93 2dmc s HIS 70 Ca 0.09 -0.76 -0.06 0.00 -0.15 0.00 0.00 55.06 54.18 2dmc s HIS 70 Cb -0.04 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 33.06 2dmc s HIS 70 CO 0.61 0.03 0.18 0.42 -0.85 0.00 0.00 174.74 175.13 2dmc s ILE 71 N -3.18 -0.01 0.00 0.60 1.01 -1.26 0.51 121.20 118.87 2dmc s ILE 71 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2dmc s ILE 71 Cb 0.02 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.22 2dmc s ILE 71 CO -0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2dmc n GLY 72 N 3.14 3.75 3.74 6.18 0.00 -1.24 -4.12 105.19 116.64 2dmc n GLY 72 Ca -0.14 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 2dmc n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dmc s ILE 73 N -2.09 3.23 -0.19 -0.61 2.07 -1.24 -3.21 121.20 119.15 2dmc s ILE 73 Ca 0.00 -1.66 -0.04 0.00 -1.41 0.00 0.00 60.65 57.55 2dmc s ILE 73 Cb 0.00 -3.02 0.06 0.00 0.13 0.00 0.00 42.46 39.64 2dmc s ILE 73 CO 0.00 -0.21 0.05 -0.94 -1.91 0.00 0.00 174.94 171.93 2dmc s SER 74 N -3.85 2.73 0.28 4.50 1.04 0.15 -3.28 113.70 115.29 2dmc s SER 74 Ca 0.37 -0.76 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 2dmc s SER 74 Cb -0.04 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2dmc s SER 74 CO 0.23 -0.32 0.48 0.72 0.98 0.00 0.00 173.24 175.33 2dmc s PHE 75 N 1.95 0.60 -0.32 5.02 -0.71 -1.26 0.64 117.98 123.90 2dmc s PHE 75 Ca 0.00 -0.94 0.04 0.00 -1.04 0.00 0.00 56.93 54.99 2dmc s PHE 75 Cb -0.17 0.11 0.09 0.00 -1.21 0.00 0.00 43.02 41.85 2dmc s PHE 75 CO -0.09 -1.06 0.02 0.42 -1.34 0.00 0.00 175.22 173.17 2dmc s ILE 76 N -3.61 2.19 -0.06 -4.49 1.01 -1.25 -2.62 121.20 112.36 2dmc s ILE 76 Ca 0.25 -2.15 -0.30 0.00 0.00 0.00 0.00 60.65 58.46 2dmc s ILE 76 Cb -0.00 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 2dmc s ILE 76 CO 0.13 -0.47 1.49 -2.16 0.00 0.00 0.00 174.94 173.93 2dmc s PRO 77 N 0.98 4.22 0.09 2.79 0.04 -1.26 -4.82 135.00 137.04 2dmc s PRO 77 Ca 0.06 2.01 0.18 0.00 0.04 0.00 0.00 61.00 63.29 2dmc s PRO 77 Cb -0.19 -3.82 -0.11 0.00 0.04 0.00 0.00 34.50 30.43 2dmc s PRO 77 CO -0.08 -0.74 0.86 0.54 0.04 0.00 0.00 177.00 177.62 2dmc n ARG 78 N 6.52 0.62 -4.50 4.56 3.00 -1.26 -0.30 116.66 125.29 2dmc n ARG 78 Ca 0.15 0.20 -0.26 0.00 -0.01 0.00 0.00 57.85 57.93 2dmc n ARG 78 Cb 0.43 -1.81 -0.10 0.00 0.00 0.00 0.00 32.46 30.99 2dmc n ARG 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2dmc s GLU 79 N -3.03 1.90 -0.06 5.56 2.02 -1.26 -4.75 118.70 119.08 2dmc s GLU 79 Ca -0.02 -1.92 0.03 0.00 0.02 0.00 0.00 54.97 53.08 2dmc s GLU 79 Cb 0.09 -1.75 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 2dmc s GLU 79 CO 0.81 0.11 -0.15 0.14 0.02 0.00 0.00 175.26 176.19 2dmc s VAL 80 N -2.60 2.97 0.00 2.63 -7.23 -1.26 -4.88 120.40 110.03 2dmc s VAL 80 Ca 0.34 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2dmc s VAL 80 Cb 0.03 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2dmc s VAL 80 CO 0.17 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.15 2dmc n GLY 81 N 2.51 0.01 3.23 2.32 0.00 0.84 -4.93 105.19 109.18 2dmc n GLY 81 Ca -0.17 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2dmc n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmc s GLU 82 N -1.28 2.61 -0.17 1.61 2.12 -1.26 -0.40 118.70 121.92 2dmc s GLU 82 Ca 0.00 -1.81 -0.20 0.00 0.36 0.00 0.00 54.97 53.32 2dmc s GLU 82 Cb 0.00 -4.00 -0.03 0.00 0.26 0.00 0.00 34.13 30.36 2dmc s GLU 82 CO 0.00 -1.22 0.60 -1.01 -0.54 0.00 0.00 175.26 173.09 2dmc s HIS 83 N 1.31 3.41 -0.29 5.30 3.76 0.02 -4.46 115.29 124.34 2dmc s HIS 83 Ca 0.06 0.93 -0.16 0.00 -0.15 0.00 0.00 55.06 55.74 2dmc s HIS 83 Cb -0.26 -2.75 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 2dmc s HIS 83 CO -0.01 -0.09 0.42 -0.51 -0.85 0.00 0.00 174.74 173.71 2dmc s LEU 84 N 1.59 4.14 -0.36 0.89 1.43 -1.24 -0.95 118.68 124.18 2dmc s LEU 84 Ca 0.28 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 2dmc s LEU 84 Cb -0.16 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 2dmc s LEU 84 CO 0.11 -0.28 0.31 -0.69 0.23 0.00 0.00 176.35 176.04 2dmc s VAL 85 N 2.17 5.22 -0.53 -1.59 1.01 0.52 -3.00 120.40 124.20 2dmc s VAL 85 Ca 0.16 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 2dmc s VAL 85 Cb -0.16 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.44 2dmc s VAL 85 CO 0.11 -0.12 0.98 -0.44 0.00 0.00 0.00 175.10 175.63 2dmc s SER 86 N 1.73 6.40 -0.22 3.32 0.01 0.17 0.66 113.70 125.77 2dmc s SER 86 Ca 0.09 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 2dmc s SER 86 Cb -0.17 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.61 2dmc s SER 86 CO 0.11 -1.23 -0.11 -0.63 0.41 0.00 0.00 173.24 171.80 2dmc s ILE 87 N 4.08 2.71 0.27 1.44 -1.09 -1.26 -2.32 121.20 125.04 2dmc s ILE 87 Ca 0.34 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.92 2dmc s ILE 87 Cb -0.11 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.46 2dmc s ILE 87 CO 0.22 0.38 0.11 -0.54 -1.23 0.00 0.00 174.94 173.88 2dmc s LYS 88 N 1.35 1.47 -0.29 2.79 1.02 -1.25 -1.82 119.74 123.01 2dmc s LYS 88 Ca 0.03 -1.81 0.01 0.00 0.02 0.00 0.00 55.97 54.23 2dmc s LYS 88 Cb -0.15 -0.27 0.08 0.00 -0.52 0.00 0.00 37.83 36.98 2dmc s LYS 88 CO -0.07 -0.32 0.02 0.21 -0.92 0.00 0.00 175.35 174.26 2dmc s LYS 89 N -3.98 1.36 -1.65 1.68 2.20 0.81 0.45 119.74 120.60 2dmc s LYS 89 Ca 0.37 -1.29 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 2dmc s LYS 89 Cb 0.07 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 2dmc s LYS 89 CO 0.14 -0.80 0.00 0.09 -0.36 0.00 0.00 175.35 174.42 2dmc n ASN 90 N 4.59 -5.38 0.00 1.43 5.03 -1.16 -1.90 115.26 117.86 2dmc n ASN 90 Ca -0.05 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2dmc n ASN 90 Cb 0.43 -4.45 0.00 0.00 -1.02 0.00 0.00 39.78 34.74 2dmc n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dmc n GLY 91 N -0.97 0.83 2.80 7.41 0.00 -1.26 -5.06 105.19 108.94 2dmc n GLY 91 Ca -0.22 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2dmc n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dmc s ASN 92 N -2.21 3.88 0.36 1.61 0.01 -0.80 -5.10 114.94 112.71 2dmc s ASN 92 Ca 0.00 -1.47 -0.21 0.00 -0.71 0.00 0.00 52.86 50.47 2dmc s ASN 92 Cb 0.00 -0.94 -0.15 0.00 0.41 0.00 0.00 41.25 40.57 2dmc s ASN 92 CO 0.00 -0.36 0.12 1.41 -1.51 0.00 0.00 177.10 176.76 2dmc n HIS 93 N 4.80 -1.83 -3.98 2.20 8.25 -1.26 -0.13 115.22 123.27 2dmc n HIS 93 Ca -0.04 0.62 -0.26 0.00 -0.26 0.00 0.00 57.72 57.78 2dmc n HIS 93 Cb 0.43 -1.69 -0.02 0.00 1.12 0.00 0.00 29.99 29.83 2dmc n HIS 93 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2dmc s VAL 94 N -1.52 1.76 0.45 1.59 -7.23 -0.76 -4.66 120.40 110.04 2dmc s VAL 94 Ca 0.56 -1.55 -0.24 0.00 -1.81 0.00 0.00 61.98 58.94 2dmc s VAL 94 Cb -0.63 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 33.92 2dmc s VAL 94 CO 0.59 0.00 1.27 0.00 -0.31 0.00 0.00 175.10 176.65 2dmc s ALA 95 N -2.74 3.08 -1.11 1.32 0.00 -1.26 -2.81 121.76 118.24 2dmc s ALA 95 Ca 0.33 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2dmc s ALA 95 Cb -0.01 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2dmc s ALA 95 CO 0.20 -0.89 0.00 0.09 0.00 0.00 0.00 175.76 175.16 2dmc n ASN 96 N -0.29 -4.05 -4.04 0.00 3.02 -1.26 -4.91 115.26 103.74 2dmc n ASN 96 Ca 0.06 0.01 -0.17 0.00 -0.03 0.00 0.00 54.58 54.45 2dmc n ASN 96 Cb 0.45 -3.20 -0.14 0.00 -0.61 0.00 0.00 39.78 36.28 2dmc n ASN 96 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dmc s SER 97 N -2.46 1.03 0.46 6.41 0.15 -1.12 -3.14 113.70 115.03 2dmc s SER 97 Ca 0.00 -0.26 -0.23 0.00 0.70 0.00 0.00 55.95 56.16 2dmc s SER 97 Cb 0.00 -0.08 -0.07 0.00 -1.71 0.00 0.00 66.02 64.16 2dmc s SER 97 CO 0.00 0.04 1.16 -2.16 1.20 0.00 0.00 173.24 173.48 2dmc s PRO 98 N -0.58 3.76 -0.29 5.44 0.04 -1.26 -4.82 135.00 137.29 2dmc s PRO 98 Ca 0.01 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 62.55 2dmc s PRO 98 Cb -0.05 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 32.09 2dmc s PRO 98 CO 0.00 -0.55 0.95 0.08 0.04 0.00 0.00 177.00 177.52 2dmc s VAL 99 N -1.55 4.67 -0.06 -0.36 1.01 0.21 -4.72 120.40 119.60 2dmc s VAL 99 Ca 0.64 1.60 -0.25 0.00 0.00 0.00 0.00 61.98 63.97 2dmc s VAL 99 Cb -0.28 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2dmc s VAL 99 CO 0.34 -0.31 0.75 -0.55 0.00 0.00 0.00 175.10 175.34 2dmc s SER 100 N 1.52 7.05 0.07 3.32 0.15 -1.26 -0.35 113.70 124.20 2dmc s SER 100 Ca 0.40 1.27 0.07 0.00 0.70 0.00 0.00 55.95 58.38 2dmc s SER 100 Cb -0.14 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 2dmc s SER 100 CO 0.12 -0.14 -0.19 -0.63 1.20 0.00 0.00 173.24 173.60 2dmc s ILE 101 N 0.86 1.50 -0.22 6.45 1.01 -0.13 -4.98 121.20 125.69 2dmc s ILE 101 Ca 0.40 -1.34 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 2dmc s ILE 101 Cb -0.18 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 2dmc s ILE 101 CO 0.20 -0.02 0.08 -0.32 0.00 0.00 0.00 174.94 174.88 2dmc s MET 102 N -1.59 3.84 -0.11 2.79 -2.45 -1.26 -0.80 119.30 119.71 2dmc s MET 102 Ca 0.04 -0.40 0.02 0.00 -1.25 0.00 0.00 55.69 54.11 2dmc s MET 102 Cb -0.09 -3.33 -0.01 0.00 1.25 0.00 0.00 34.83 32.65 2dmc s MET 102 CO 0.03 0.01 -0.18 0.08 1.05 0.00 0.00 175.02 176.01 2dmc s VAL 103 N 1.10 2.59 0.02 10.11 1.01 0.46 -4.50 120.40 131.19 2dmc s VAL 103 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2dmc s VAL 103 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2dmc s VAL 103 CO 0.04 0.54 -0.05 0.68 0.00 0.00 0.00 175.10 176.31 2dmc s VAL 104 N 0.27 0.31 -0.26 2.92 -7.23 -1.26 -0.11 120.40 115.03 2dmc s VAL 104 Ca -0.13 -0.69 -0.27 0.00 -1.81 0.00 0.00 61.98 59.09 2dmc s VAL 104 Cb -0.16 -0.36 0.01 0.00 0.56 0.00 0.00 36.38 36.42 2dmc s VAL 104 CO 0.07 -0.25 0.94 0.00 -0.31 0.00 0.00 175.10 175.55 2dmc s GLN 105 N -1.00 4.16 0.50 4.82 -2.07 -1.26 -4.04 119.66 120.77 2dmc s GLN 105 Ca -0.08 1.07 -0.20 0.00 -1.82 0.00 0.00 55.36 54.34 2dmc s GLN 105 Cb -0.07 -3.67 -0.08 0.00 -1.09 0.00 0.00 33.01 28.10 2dmc s GLN 105 CO -0.00 -0.65 1.04 0.45 -1.32 0.00 0.00 175.29 174.81 2dmc s SER 106 N 1.38 6.29 -0.44 12.60 0.15 -1.26 -4.95 113.70 127.47 2dmc s SER 106 Ca 0.40 1.90 0.03 0.00 0.70 0.00 0.00 55.95 58.98 2dmc s SER 106 Cb -0.14 -2.55 0.61 0.00 -1.71 0.00 0.00 66.02 62.22 2dmc s SER 106 CO 0.09 -0.82 1.87 -0.62 1.20 0.00 0.00 173.24 174.97 2dmc n GLU 107 N -1.11 2.20 -0.58 5.44 1.02 -1.26 -4.65 120.64 121.70 2dmc n GLU 107 Ca 0.09 -2.83 0.47 0.00 -0.02 0.00 0.00 57.16 54.87 2dmc n GLU 107 Cb 0.53 -2.11 0.73 0.00 -0.02 0.00 0.00 31.44 30.57 2dmc n GLU 107 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2dmc h ILE 108 N 0.94 0.02 -3.31 -3.67 -2.65 -2.02 -3.34 117.51 103.48 2dmc h ILE 108 Ca 0.59 0.00 -0.66 0.00 1.03 0.00 0.00 64.86 65.82 2dmc h ILE 108 Cb 2.58 0.02 -0.29 0.00 -2.05 0.00 0.00 36.82 37.09 2dmc h ILE 108 CO 1.08 0.00 -0.78 -0.83 0.03 0.00 0.00 178.15 177.65 2dmc s GLY 109 N -3.77 1.51 -0.14 0.16 0.00 -1.26 -5.01 107.32 98.82 2dmc s GLY 109 Ca -0.04 -0.99 -0.25 0.00 0.00 0.00 0.00 44.72 43.44 2dmc s GLY 109 CO 0.79 -0.03 0.64 -0.55 0.00 0.00 0.00 173.10 173.95 2dmc h ASP 110 N 7.12 0.11 -1.79 1.64 5.19 -2.00 -3.47 116.42 123.22 2dmc h ASP 110 Ca -0.30 -0.87 -0.44 0.00 -0.62 0.00 0.00 57.03 54.80 2dmc h ASP 110 Cb 1.20 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.68 2dmc h ASP 110 CO 0.57 1.24 -0.32 -0.94 -3.12 0.00 0.00 179.24 176.66 2dmc s SER 111 N -6.56 5.93 0.17 6.45 1.04 -1.26 -5.12 113.70 114.34 2dmc s SER 111 Ca -0.21 -0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.08 2dmc s SER 111 Cb 0.00 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.92 2dmc s SER 111 CO 0.70 -0.48 0.12 -0.83 0.98 0.00 0.00 173.24 173.73 2dmc s GLY 112 N -4.20 1.69 0.12 7.32 0.00 -1.26 -5.08 107.32 105.92 2dmc s GLY 112 Ca 0.46 -1.25 -0.31 0.00 0.00 0.00 0.00 44.72 43.63 2dmc s GLY 112 CO 0.32 -1.26 1.35 2.56 0.00 0.00 0.00 173.10 176.07 2dmc s PRO 113 N -3.14 4.35 0.27 2.90 0.04 -1.26 -4.92 135.00 133.23 2dmc s PRO 113 Ca 0.31 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.31 2dmc s PRO 113 Cb -0.10 -3.25 0.47 0.00 0.04 0.00 0.00 34.50 31.67 2dmc s PRO 113 CO 0.23 -0.38 1.59 0.66 0.04 0.00 0.00 177.00 179.14 2dmc h SER 114 N 6.54 -0.66 -0.97 6.66 4.64 -2.08 -3.12 113.55 124.55 2dmc h SER 114 Ca -0.43 0.25 -0.64 0.00 -0.47 0.00 0.00 61.79 60.51 2dmc h SER 114 Cb 1.21 0.50 -0.09 0.00 -0.31 0.00 0.00 62.40 63.71 2dmc h SER 114 CO 0.84 -0.28 1.88 -0.44 -0.87 0.00 0.00 176.83 177.95 2dmc s SER 115 N -5.19 6.67 0.00 4.97 0.01 -1.26 -5.35 113.70 113.55 2dmc s SER 115 Ca -0.14 -1.98 0.00 0.00 1.31 0.00 0.00 55.95 55.13 2dmc s SER 115 Cb 0.25 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2dmc s SER 115 CO 0.77 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.69