#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 1.71 -0.00 1.61 1.04 -1.26 -3.92 113.70 112.88 2dmc s SER 2 Ca 0.00 -0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.22 2dmc s SER 2 Cb 0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 2dmc s SER 2 CO 0.00 0.18 -0.16 -0.55 0.98 0.00 0.00 173.24 173.69 2dmc s SER 3 N -0.33 1.91 -0.47 7.02 0.15 -1.26 -5.02 113.70 115.70 2dmc s SER 3 Ca 0.05 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.40 2dmc s SER 3 Cb -0.06 -0.20 0.14 0.00 -1.71 0.00 0.00 66.02 64.19 2dmc s SER 3 CO -0.01 0.17 0.25 -0.83 1.20 0.00 0.00 173.24 174.03 2dmc s GLY 4 N -0.54 1.93 0.33 9.45 0.00 -1.26 -5.05 107.32 112.18 2dmc s GLY 4 Ca 0.06 -2.83 0.08 0.00 0.00 0.00 0.00 44.72 42.02 2dmc s GLY 4 CO -0.00 1.38 0.20 -0.45 0.00 0.00 0.00 173.10 174.23 2dmc s SER 5 N 0.10 4.98 -0.19 1.64 0.15 -1.26 -5.06 113.70 114.05 2dmc s SER 5 Ca 0.18 -0.62 -0.21 0.00 0.70 0.00 0.00 55.95 56.00 2dmc s SER 5 Cb -0.24 -0.88 -0.21 0.00 -1.71 0.00 0.00 66.02 62.99 2dmc s SER 5 CO -0.01 -0.29 0.30 -1.28 1.20 0.00 0.00 173.24 173.17 2dmc h SER 6 N 1.44 0.05 0.00 5.45 0.87 -2.06 -3.49 113.55 115.81 2dmc h SER 6 Ca -0.44 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 59.51 2dmc h SER 6 Cb 1.25 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2dmc h SER 6 CO 0.61 1.48 0.00 0.61 -0.53 0.00 0.00 176.83 179.00 2dmc n GLY 7 N 1.51 -0.23 3.72 5.77 0.00 -1.26 -5.14 105.19 109.56 2dmc n GLY 7 Ca -0.29 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 2dmc n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dmc s ILE 8 N 0.00 2.03 0.12 -0.61 -5.25 -1.26 -4.94 121.20 111.30 2dmc s ILE 8 Ca 0.00 0.02 -0.31 0.00 -0.99 0.00 0.00 60.65 59.37 2dmc s ILE 8 Cb 0.00 -2.87 -0.08 0.00 2.95 0.00 0.00 42.46 42.46 2dmc s ILE 8 CO 0.00 -0.01 1.35 -2.16 -1.79 0.00 0.00 174.94 172.34 2dmc s PRO 9 N -3.55 4.35 -0.70 0.37 0.04 -1.26 -4.96 135.00 129.29 2dmc s PRO 9 Ca 0.81 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.61 2dmc s PRO 9 Cb -0.36 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 30.96 2dmc s PRO 9 CO 0.42 -0.38 1.28 0.20 0.04 0.00 0.00 177.00 178.56 2dmc s GLY 10 N 0.96 0.91 -0.01 0.56 0.00 -1.26 -5.00 107.32 103.49 2dmc s GLY 10 Ca 0.62 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 2dmc s GLY 10 CO 0.31 2.64 0.09 -1.35 0.00 0.00 0.00 173.10 174.80 2dmc s SER 11 N 3.71 5.77 -0.15 1.64 1.04 -1.26 -5.06 113.70 119.39 2dmc s SER 11 Ca 0.38 0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.69 2dmc s SER 11 Cb -0.08 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 2dmc s SER 11 CO 0.17 0.27 1.56 -2.16 0.98 0.00 0.00 173.24 174.07 2dmc s PRO 12 N -1.74 4.02 -0.28 4.02 0.04 -1.26 -4.97 135.00 134.82 2dmc s PRO 12 Ca 0.23 1.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 2dmc s PRO 12 Cb -0.12 -3.97 0.13 0.00 0.04 0.00 0.00 34.50 30.58 2dmc s PRO 12 CO 0.14 -1.01 1.00 0.12 0.04 0.00 0.00 177.00 177.29 2dmc s PHE 13 N 4.44 -0.52 -0.88 0.56 5.36 -1.26 -5.11 117.98 120.57 2dmc s PHE 13 Ca 0.69 1.19 -0.13 0.00 -0.96 0.00 0.00 56.93 57.73 2dmc s PHE 13 Cb -0.27 0.37 0.23 0.00 -0.34 0.00 0.00 43.02 43.00 2dmc s PHE 13 CO 0.27 -0.25 0.83 0.99 -1.46 0.00 0.00 175.22 175.59 2dmc s THR 14 N 0.58 5.62 1.04 0.12 2.01 -1.26 -5.06 115.64 118.70 2dmc s THR 14 Ca -0.01 -2.69 -0.18 0.00 0.31 0.00 0.00 61.69 59.12 2dmc s THR 14 Cb -0.05 -4.46 0.07 0.00 0.01 0.00 0.00 72.50 68.07 2dmc s THR 14 CO -0.09 -1.06 -0.20 0.00 -0.69 0.00 0.00 174.62 172.58 2dmc n ALA 15 N 3.69 -3.04 -2.58 7.40 0.00 -1.26 -4.93 120.51 119.79 2dmc n ALA 15 Ca 0.16 -1.19 -0.39 0.00 0.00 0.00 0.00 53.44 52.02 2dmc n ALA 15 Cb 0.45 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 2dmc n ALA 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2dmc s LYS 16 N -3.12 3.86 -0.20 0.00 1.02 -1.26 -5.04 119.74 115.00 2dmc s LYS 16 Ca 0.44 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 2dmc s LYS 16 Cb -0.05 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 2dmc s LYS 16 CO 0.53 -0.25 1.63 -1.50 -0.92 0.00 0.00 175.35 174.84 2dmc s ILE 17 N 1.79 3.67 -0.00 2.17 2.07 -1.26 -4.99 121.20 124.66 2dmc s ILE 17 Ca 0.08 0.77 0.00 0.00 -1.41 0.00 0.00 60.65 60.09 2dmc s ILE 17 Cb -0.16 -3.67 -0.00 0.00 0.13 0.00 0.00 42.46 38.76 2dmc s ILE 17 CO 0.11 -0.26 -0.01 -0.89 -1.91 0.00 0.00 174.94 171.98 2dmc s THR 18 N 5.10 0.06 0.27 4.00 2.01 -1.26 -5.16 115.64 120.66 2dmc s THR 18 Ca 0.72 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.70 2dmc s THR 18 Cb -0.26 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 2dmc s THR 18 CO 0.29 0.02 0.45 -0.62 -0.69 0.00 0.00 174.62 174.07 2dmc s ASP 19 N -0.02 6.33 0.04 3.53 -1.08 -1.26 -5.01 116.67 119.20 2dmc s ASP 19 Ca 0.00 0.32 -0.17 0.00 -0.52 0.00 0.00 52.55 52.18 2dmc s ASP 19 Cb -0.00 -1.97 0.03 0.00 -1.46 0.00 0.00 42.92 39.52 2dmc s ASP 19 CO -0.00 -0.16 0.39 -1.81 0.52 0.00 0.00 175.17 174.12 2dmc s ASP 20 N -3.76 -0.26 0.32 -0.34 1.01 -1.26 -5.04 116.67 107.34 2dmc s ASP 20 Ca 0.38 -0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.69 2dmc s ASP 20 Cb -0.10 0.41 0.90 0.00 1.01 0.00 0.00 42.92 45.13 2dmc s ASP 20 CO 0.32 -0.64 1.57 -1.28 0.21 0.00 0.00 175.17 175.36 2dmc h SER 21 N 3.12 -0.29 -2.07 0.27 0.87 -2.01 -3.41 113.55 110.03 2dmc h SER 21 Ca -0.31 0.28 -0.56 0.00 -1.23 0.00 0.00 61.79 59.96 2dmc h SER 21 Cb 1.20 0.44 0.22 0.00 -0.44 0.00 0.00 62.40 63.82 2dmc h SER 21 CO 0.43 -0.38 -1.61 0.54 -0.53 0.00 0.00 176.83 175.29 2dmc n ARG 22 N -5.44 -0.00 -0.12 2.24 5.12 -1.26 -4.94 116.66 112.26 2dmc n ARG 22 Ca 0.27 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.93 2dmc n ARG 22 Cb 0.88 -1.04 -0.11 0.00 -1.16 0.00 0.00 32.46 31.03 2dmc n ARG 22 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2dmc n ARG 23 N 2.05 0.61 -1.49 5.56 3.00 -1.26 -4.97 116.66 120.15 2dmc n ARG 23 Ca 0.01 0.28 -0.53 0.00 -0.01 0.00 0.00 57.85 57.60 2dmc n ARG 23 Cb 0.53 -1.55 -0.05 0.00 0.00 0.00 0.00 32.46 31.39 2dmc n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dmc s SER 25 N -0.29 6.60 -0.26 0.00 0.01 -1.26 -5.05 113.70 113.45 2dmc s SER 25 Ca 0.78 1.83 -0.00 0.00 1.31 0.00 0.00 55.95 59.87 2dmc s SER 25 Cb -1.06 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 62.66 2dmc s SER 25 CO 0.55 -0.60 -0.07 -1.58 0.41 0.00 0.00 173.24 171.96 2dmc s GLN 26 N -3.20 2.53 0.26 12.44 0.74 -1.26 -4.51 119.66 126.66 2dmc s GLN 26 Ca 0.65 -1.18 0.09 0.00 0.05 0.00 0.00 55.36 54.97 2dmc s GLN 26 Cb -0.13 -2.99 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 2dmc s GLN 26 CO 0.17 -0.51 -0.13 0.08 -0.55 0.00 0.00 175.29 174.35 2dmc s VAL 27 N 1.23 1.99 -0.06 1.34 1.01 -1.26 -4.99 120.40 119.66 2dmc s VAL 27 Ca -0.04 -2.24 -0.14 0.00 0.00 0.00 0.00 61.98 59.56 2dmc s VAL 27 Cb -0.18 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2dmc s VAL 27 CO -0.04 -0.41 0.35 -0.54 0.00 0.00 0.00 175.10 174.46 2dmc s LYS 28 N -3.62 3.96 -0.22 2.72 -0.14 -1.26 -3.89 119.74 117.29 2dmc s LYS 28 Ca 0.28 0.27 -0.23 0.00 -1.36 0.00 0.00 55.97 54.93 2dmc s LYS 28 Cb -0.00 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.85 2dmc s LYS 28 CO 0.12 0.55 0.73 -1.17 -0.76 0.00 0.00 175.35 174.82 2dmc s LEU 29 N -0.57 4.11 0.00 3.17 2.96 -1.26 -3.60 118.68 123.49 2dmc s LEU 29 Ca 0.21 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 2dmc s LEU 29 Cb -0.15 -3.04 0.00 0.00 0.50 0.00 0.00 46.19 43.50 2dmc s LEU 29 CO 0.10 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.35 2dmc n GLY 30 N 3.80 0.39 3.36 7.98 0.00 -0.05 -4.97 105.19 115.70 2dmc n GLY 30 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2dmc n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmc s SER 31 N -2.74 2.94 -0.24 1.61 0.15 -1.24 -4.96 113.70 109.23 2dmc s SER 31 Ca 0.00 -0.83 -0.29 0.00 0.70 0.00 0.00 55.95 55.53 2dmc s SER 31 Cb 0.00 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2dmc s SER 31 CO 0.00 0.05 1.13 0.00 1.20 0.00 0.00 173.24 175.62 2dmc s ALA 32 N -1.70 3.60 -0.02 5.45 0.00 -1.26 -4.17 121.76 123.65 2dmc s ALA 32 Ca 0.16 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.36 2dmc s ALA 32 Cb -0.07 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 2dmc s ALA 32 CO 0.07 -1.27 -0.19 0.00 0.00 0.00 0.00 175.76 174.38 2dmc s ALA 33 N 3.51 1.59 0.43 0.00 0.00 -1.20 -4.97 121.76 121.13 2dmc s ALA 33 Ca 0.48 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 2dmc s ALA 33 Cb -0.16 -0.43 -0.10 0.00 0.00 0.00 0.00 23.12 22.43 2dmc s ALA 33 CO 0.12 0.37 0.91 -0.51 0.00 0.00 0.00 175.76 176.65 2dmc s ASP 34 N -0.34 6.82 -0.12 0.00 1.01 -1.26 -3.77 116.67 119.00 2dmc s ASP 34 Ca 0.05 1.56 -0.01 0.00 0.71 0.00 0.00 52.55 54.86 2dmc s ASP 34 Cb -0.08 -2.49 0.03 0.00 1.01 0.00 0.00 42.92 41.38 2dmc s ASP 34 CO -0.00 -0.39 -0.04 -0.36 0.21 0.00 0.00 175.17 174.59 2dmc s PHE 35 N -2.26 1.30 -0.21 4.23 0.08 -0.56 -4.95 117.98 115.61 2dmc s PHE 35 Ca 0.59 -0.68 -0.24 0.00 0.12 0.00 0.00 56.93 56.72 2dmc s PHE 35 Cb -0.09 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 2dmc s PHE 35 CO 0.19 -0.50 0.79 -1.17 -0.10 0.00 0.00 175.22 174.43 2dmc s LEU 36 N 1.77 4.13 -0.01 -0.37 2.96 -1.26 -2.06 118.68 123.84 2dmc s LEU 36 Ca 0.04 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.02 2dmc s LEU 36 Cb -0.13 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 2dmc s LEU 36 CO -0.07 -0.43 -0.09 -1.48 -1.32 0.00 0.00 176.35 172.96 2dmc s LEU 37 N 2.40 2.01 -0.80 -0.68 2.34 -1.19 -5.04 118.68 117.72 2dmc s LEU 37 Ca 0.35 -0.16 -0.26 0.00 0.06 0.00 0.00 54.13 54.12 2dmc s LEU 37 Cb -0.16 -0.45 0.04 0.00 -0.56 0.00 0.00 46.19 45.06 2dmc s LEU 37 CO 0.10 0.10 1.30 1.51 -1.06 0.00 0.00 176.35 178.31 2dmc s ASP 38 N -0.18 6.24 -0.10 1.48 -4.77 -1.26 -4.67 116.67 113.40 2dmc s ASP 38 Ca 0.03 -0.70 0.03 0.00 -3.30 0.00 0.00 52.55 48.62 2dmc s ASP 38 Cb -0.04 -2.56 0.01 0.00 -1.09 0.00 0.00 42.92 39.24 2dmc s ASP 38 CO -0.00 -1.75 -0.21 0.27 0.70 0.00 0.00 175.17 174.18 2dmc s ILE 39 N 5.49 1.84 -0.14 2.11 -4.36 -1.26 -4.81 121.20 120.07 2dmc s ILE 39 Ca 0.37 -0.88 -0.00 0.00 -0.26 0.00 0.00 60.65 59.88 2dmc s ILE 39 Cb -0.07 -1.62 0.11 0.00 1.25 0.00 0.00 42.46 42.14 2dmc s ILE 39 CO 0.09 0.51 1.84 -1.20 0.24 0.00 0.00 174.94 176.42 2dmc n SER 40 N 3.74 5.31 -4.00 4.36 7.64 -1.26 -4.80 113.62 124.62 2dmc n SER 40 Ca -0.20 -2.65 -0.24 0.00 1.01 0.00 0.00 58.87 56.79 2dmc n SER 40 Cb 0.52 -0.99 -0.17 0.00 -1.01 0.00 0.00 64.21 62.57 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 -0.84 1.58 -0.32 1.43 0.41 -1.26 -5.03 118.70 114.67 2dmc s GLU 41 Ca 0.14 -0.36 0.06 0.00 -0.41 0.00 0.00 54.97 54.40 2dmc s GLU 41 Cb 0.11 -1.35 0.46 0.00 -1.78 0.00 0.00 34.13 31.57 2dmc s GLU 41 CO 0.00 -0.01 1.27 -2.37 -0.49 0.00 0.00 175.26 173.67 2dmc n THR 42 N 3.92 2.63 -3.29 3.63 5.66 -1.26 -4.83 114.28 120.74 2dmc n THR 42 Ca -0.22 -4.06 -0.25 0.00 -3.05 0.00 0.00 64.05 56.46 2dmc n THR 42 Cb 0.51 -1.11 -0.07 0.00 -1.55 0.00 0.00 70.33 68.11 2dmc n THR 42 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2dmc n ASP 43 N -0.74 1.86 -0.34 1.09 9.92 -1.26 -4.98 116.55 122.09 2dmc n ASP 43 Ca 0.45 -3.05 -0.08 0.00 -0.53 0.00 0.00 54.79 51.58 2dmc n ASP 43 Cb 0.93 -0.65 -0.06 0.00 -0.64 0.00 0.00 41.12 40.70 2dmc n ASP 43 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dmc n LEU 44 N 1.12 -0.82 0.05 0.64 4.77 -1.26 -0.69 117.00 120.80 2dmc n LEU 44 Ca 0.25 1.47 -0.09 0.00 -0.03 0.00 0.00 56.01 57.61 2dmc n LEU 44 Cb 0.48 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 2dmc n LEU 44 CO 0.29 -1.22 0.51 0.28 -1.33 0.00 0.00 177.39 175.92 2dmc h SER 45 N 0.00 -0.86 0.00 -1.43 0.02 -1.98 0.12 113.55 109.42 2dmc h SER 45 Ca 0.16 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2dmc h SER 45 Cb 0.37 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2dmc h SER 45 CO -0.79 -0.29 0.59 0.28 -1.14 0.00 0.00 176.83 175.48 2dmc h SER 46 N -0.39 0.00 -2.70 3.07 0.02 -1.54 -3.40 113.55 108.61 2dmc h SER 46 Ca -0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 2dmc h SER 46 Cb 0.40 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.96 2dmc h SER 46 CO -0.16 0.00 -0.16 -0.76 -1.14 0.00 0.00 176.83 174.61 2dmc s LEU 47 N -5.39 3.86 0.34 5.07 1.43 0.43 -2.59 118.68 121.83 2dmc s LEU 47 Ca -0.02 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 2dmc s LEU 47 Cb 0.05 -3.21 -0.07 0.00 0.03 0.00 0.00 46.19 43.00 2dmc s LEU 47 CO 0.16 -0.48 -0.06 -0.89 0.23 0.00 0.00 176.35 175.32 2dmc s THR 48 N -2.41 2.00 -0.10 5.49 2.01 0.26 -4.91 115.64 117.99 2dmc s THR 48 Ca 0.44 -2.13 -0.03 0.00 0.31 0.00 0.00 61.69 60.28 2dmc s THR 48 Cb -0.10 -2.68 0.04 0.00 0.01 0.00 0.00 72.50 69.77 2dmc s THR 48 CO 0.36 -0.17 0.05 0.00 -0.69 0.00 0.00 174.62 174.17 2dmc s ALA 49 N -2.76 0.51 -0.08 7.40 0.00 -1.26 -4.26 121.76 121.30 2dmc s ALA 49 Ca 0.33 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 2dmc s ALA 49 Cb 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.37 2dmc s ALA 49 CO 0.16 -0.74 0.20 -1.12 0.00 0.00 0.00 175.76 174.26 2dmc s SER 50 N 2.07 -0.20 0.02 0.00 0.01 -1.07 -4.81 113.70 109.71 2dmc s SER 50 Ca 0.03 0.42 0.02 0.00 1.31 0.00 0.00 55.95 57.73 2dmc s SER 50 Cb -0.14 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 2dmc s SER 50 CO -0.06 -0.13 -0.06 -0.63 0.41 0.00 0.00 173.24 172.77 2dmc s ILE 51 N 0.83 0.45 -0.21 1.44 1.01 -1.26 0.46 121.20 123.91 2dmc s ILE 51 Ca -0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 2dmc s ILE 51 Cb -0.07 -0.46 0.09 0.00 0.01 0.00 0.00 42.46 42.02 2dmc s ILE 51 CO -0.05 -0.15 0.19 -0.75 0.00 0.00 0.00 174.94 174.19 2dmc s LYS 52 N -0.88 0.18 1.04 2.79 2.47 -1.23 -2.85 119.74 121.27 2dmc s LYS 52 Ca -0.05 0.04 -0.25 0.00 -1.56 0.00 0.00 55.97 54.15 2dmc s LYS 52 Cb -0.06 -1.27 -0.10 0.00 -1.46 0.00 0.00 37.83 34.94 2dmc s LYS 52 CO 0.00 -0.74 -1.04 0.00 0.16 0.00 0.00 175.35 173.73 2dmc n ALA 53 N 5.30 -5.29 0.31 3.13 0.00 0.14 -4.09 120.51 120.01 2dmc n ALA 53 Ca -0.05 -1.36 0.16 0.00 0.00 0.00 0.00 53.44 52.18 2dmc n ALA 53 Cb 0.48 -1.03 0.65 0.00 0.00 0.00 0.00 19.45 19.55 2dmc n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dmc h PRO 54 N -1.36 0.00 -0.38 0.00 0.13 -1.88 -2.34 132.00 126.17 2dmc h PRO 54 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dmc h PRO 54 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2dmc h PRO 54 CO 0.27 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.47 2dmc n SER 55 N -2.85 2.98 0.00 1.44 7.64 -1.26 -4.91 113.62 116.66 2dmc n SER 55 Ca 0.01 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2dmc n SER 55 Cb 0.28 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2dmc n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmc n GLY 56 N 1.41 0.65 3.57 0.23 0.00 -0.88 -5.04 105.19 105.12 2dmc n GLY 56 Ca 0.19 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.17 3.75 0.36 1.61 0.52 -1.26 -4.84 118.95 116.92 2dmc s ARG 57 Ca 0.00 -0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 54.61 2dmc s ARG 57 Cb 0.00 -3.74 -0.09 0.00 0.52 0.00 0.00 34.95 31.64 2dmc s ARG 57 CO 0.00 -0.36 1.13 0.34 0.02 0.00 0.00 175.30 176.43 2dmc s ASP 58 N 1.72 6.81 0.03 0.23 2.15 -1.26 0.23 116.67 126.58 2dmc s ASP 58 Ca 0.10 2.28 0.06 0.00 0.43 0.00 0.00 52.55 55.42 2dmc s ASP 58 Cb -0.16 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.82 2dmc s ASP 58 CO 0.11 -0.47 -0.18 -1.61 -0.17 0.00 0.00 175.17 172.85 2dmc s GLU 59 N -2.05 1.25 -1.00 4.34 2.02 -1.13 -4.91 118.70 117.23 2dmc s GLU 59 Ca 0.53 -0.80 -0.24 0.00 0.02 0.00 0.00 54.97 54.48 2dmc s GLU 59 Cb -0.30 -1.30 -0.06 0.00 0.10 0.00 0.00 34.13 32.58 2dmc s GLU 59 CO 0.38 0.33 1.94 -1.25 0.02 0.00 0.00 175.26 176.68 2dmc s PRO 60 N -0.96 2.54 0.14 0.39 0.04 -1.26 -4.39 135.00 131.50 2dmc s PRO 60 Ca 0.06 -0.59 -0.13 0.00 0.04 0.00 0.00 61.00 60.37 2dmc s PRO 60 Cb -0.08 -5.13 -0.07 0.00 0.04 0.00 0.00 34.50 29.27 2dmc s PRO 60 CO 0.01 -3.57 0.53 0.00 0.04 0.00 0.00 177.00 174.00 2dmc s LEU 62 N -2.02 -0.08 0.26 0.00 1.98 0.82 -4.86 118.68 114.78 2dmc s LEU 62 Ca 0.38 0.33 -0.29 0.00 -2.89 0.00 0.00 54.13 51.66 2dmc s LEU 62 Cb -0.15 0.28 -0.09 0.00 0.66 0.00 0.00 46.19 46.89 2dmc s LEU 62 CO 0.19 -0.25 1.01 -0.76 -1.89 0.00 0.00 176.35 174.65 2dmc s LEU 63 N 2.30 4.58 0.11 -0.68 1.43 -1.26 -0.51 118.68 124.64 2dmc s LEU 63 Ca 0.03 2.08 -0.08 0.00 -1.03 0.00 0.00 54.13 55.13 2dmc s LEU 63 Cb -0.12 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 2dmc s LEU 63 CO -0.06 0.01 0.20 -1.59 0.23 0.00 0.00 176.35 175.14 2dmc s LYS 64 N -1.36 0.91 -0.07 1.70 -2.85 -1.04 -4.93 119.74 112.10 2dmc s LYS 64 Ca 0.43 -1.04 -0.19 0.00 -1.00 0.00 0.00 55.97 54.18 2dmc s LYS 64 Cb -0.28 0.34 -0.05 0.00 -2.06 0.00 0.00 37.83 35.78 2dmc s LYS 64 CO 0.35 -0.29 0.51 0.50 0.10 0.00 0.00 175.35 176.52 2dmc s ARG 65 N -3.89 4.28 0.17 1.78 6.06 -1.26 -3.01 118.95 123.07 2dmc s ARG 65 Ca 0.09 0.55 0.05 0.00 -2.50 0.00 0.00 55.73 53.91 2dmc s ARG 65 Cb 0.05 -3.38 -0.04 0.00 0.06 0.00 0.00 34.95 31.64 2dmc s ARG 65 CO -0.08 0.28 0.14 -0.51 -2.50 0.00 0.00 175.30 172.63 2dmc s LEU 66 N 0.18 3.80 1.01 -0.88 1.43 0.00 -4.91 118.68 119.32 2dmc s LEU 66 Ca 0.28 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 2dmc s LEU 66 Cb -0.16 -2.41 0.20 0.00 0.03 0.00 0.00 46.19 43.84 2dmc s LEU 66 CO 0.13 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.71 2dmc s PRO 67 N -3.12 0.32 -0.94 1.29 0.04 -1.26 -2.78 135.00 128.55 2dmc s PRO 67 Ca 0.31 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 2dmc s PRO 67 Cb -0.10 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2dmc s PRO 67 CO 0.23 -2.80 0.07 -1.71 0.04 0.00 0.00 177.00 172.83 2dmc n ASN 68 N -4.22 -3.73 -2.73 6.66 5.15 -1.26 -2.62 115.26 112.51 2dmc n ASN 68 Ca 0.05 -0.04 -0.22 0.00 -0.60 0.00 0.00 54.58 53.77 2dmc n ASN 68 Cb 0.57 -2.89 0.01 0.00 -0.53 0.00 0.00 39.78 36.95 2dmc n ASN 68 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2dmc n ASN 69 N -0.23 -5.95 -4.62 1.20 3.02 -1.26 -4.98 115.26 102.44 2dmc n ASN 69 Ca -0.12 -0.16 -0.25 0.00 -0.03 0.00 0.00 54.58 54.03 2dmc n ASN 69 Cb 0.59 -4.88 -0.09 0.00 -0.61 0.00 0.00 39.78 34.80 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 -3.10 2.53 -0.06 3.10 3.76 -1.08 -5.05 115.29 115.40 2dmc s HIS 70 Ca 0.16 -0.44 -0.05 0.00 -0.15 0.00 0.00 55.06 54.58 2dmc s HIS 70 Cb -0.07 -1.47 0.01 0.00 1.11 0.00 0.00 32.58 32.17 2dmc s HIS 70 CO 0.20 0.49 0.15 0.42 -0.85 0.00 0.00 174.74 175.16 2dmc s ILE 71 N -2.52 0.00 0.19 0.60 1.01 -1.26 -0.82 121.20 118.40 2dmc s ILE 71 Ca 0.34 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.85 2dmc s ILE 71 Cb 0.00 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.24 2dmc s ILE 71 CO 0.19 -0.02 0.38 -0.83 0.00 0.00 0.00 174.94 174.66 2dmc s GLY 72 N 0.02 0.35 0.21 6.18 0.00 -1.16 -3.14 107.32 109.78 2dmc s GLY 72 Ca -0.01 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.03 2dmc s GLY 72 CO 0.00 -0.65 0.35 -1.50 0.00 0.00 0.00 173.10 171.30 2dmc s ILE 73 N -3.95 5.27 -0.13 0.90 2.07 -0.88 -2.48 121.20 122.00 2dmc s ILE 73 Ca 0.16 -0.79 -0.01 0.00 -1.41 0.00 0.00 60.65 58.61 2dmc s ILE 73 Cb 0.01 -3.81 0.03 0.00 0.13 0.00 0.00 42.46 38.83 2dmc s ILE 73 CO 0.01 -0.24 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.19 2dmc s SER 74 N -3.64 2.30 0.06 4.50 0.15 0.34 -1.50 113.70 115.92 2dmc s SER 74 Ca 0.35 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.43 2dmc s SER 74 Cb -0.10 -0.79 0.04 0.00 -1.71 0.00 0.00 66.02 63.46 2dmc s SER 74 CO 0.29 -0.16 0.41 0.72 1.20 0.00 0.00 173.24 175.71 2dmc s PHE 75 N 1.74 -0.25 -0.54 3.44 -0.71 -1.25 -0.13 117.98 120.28 2dmc s PHE 75 Ca 0.04 0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 55.91 2dmc s PHE 75 Cb -0.13 0.23 0.13 0.00 -1.21 0.00 0.00 43.02 42.03 2dmc s PHE 75 CO -0.08 -0.61 0.50 0.42 -1.34 0.00 0.00 175.22 174.11 2dmc s ILE 76 N -2.82 5.21 -0.05 -4.49 1.01 -1.26 -3.25 121.20 115.55 2dmc s ILE 76 Ca -0.03 -1.47 -0.30 0.00 0.00 0.00 0.00 60.65 58.85 2dmc s ILE 76 Cb -0.00 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 2dmc s ILE 76 CO -0.05 -0.86 1.49 -2.16 0.00 0.00 0.00 174.94 173.36 2dmc s PRO 77 N 1.61 4.23 -0.08 2.79 0.04 -1.26 -4.76 135.00 137.57 2dmc s PRO 77 Ca 0.03 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2dmc s PRO 77 Cb -0.30 -3.77 -0.25 0.00 0.04 0.00 0.00 34.50 30.22 2dmc s PRO 77 CO 0.03 -0.72 0.52 0.00 0.04 0.00 0.00 177.00 176.87 2dmc h ARG 78 N 8.60 0.16 -6.40 4.56 -0.00 -1.94 -0.10 114.38 119.25 2dmc h ARG 78 Ca -0.36 -0.27 -0.62 0.00 -0.50 0.00 0.00 59.98 58.23 2dmc h ARG 78 Cb 1.16 0.10 -0.13 0.00 0.00 0.00 0.00 29.97 31.11 2dmc h ARG 78 CO 0.94 0.91 -0.69 -2.00 0.00 0.00 0.00 179.97 179.13 2dmc s GLU 79 N -2.58 2.27 -0.03 0.04 2.56 -1.26 -4.77 118.70 114.93 2dmc s GLU 79 Ca -0.14 -1.12 -0.01 0.00 0.00 0.00 0.00 54.97 53.69 2dmc s GLU 79 Cb 0.07 -2.30 -0.04 0.00 2.00 0.00 0.00 34.13 33.86 2dmc s GLU 79 CO 0.80 0.46 0.08 0.14 -0.56 0.00 0.00 175.26 176.18 2dmc s VAL 80 N -1.61 4.77 0.00 3.70 -7.23 -1.26 -4.88 120.40 113.89 2dmc s VAL 80 Ca 0.26 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 2dmc s VAL 80 Cb -0.10 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.70 2dmc s VAL 80 CO 0.17 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 2dmc n GLY 81 N 1.43 0.32 3.27 2.32 0.00 0.13 -4.51 105.19 108.15 2dmc n GLY 81 Ca -0.15 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.99 2.60 -0.04 1.61 2.12 -1.25 -0.82 118.70 121.92 2dmc s GLU 82 Ca 0.00 -1.36 -0.06 0.00 0.36 0.00 0.00 54.97 53.91 2dmc s GLU 82 Cb 0.00 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 2dmc s GLU 82 CO 0.00 -0.85 0.21 -1.01 -0.54 0.00 0.00 175.26 173.07 2dmc s HIS 83 N 1.42 3.58 -0.27 5.30 3.76 -0.27 -4.24 115.29 124.57 2dmc s HIS 83 Ca 0.02 0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 55.41 2dmc s HIS 83 Cb -0.22 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.55 2dmc s HIS 83 CO 0.02 0.67 -0.00 -0.51 -0.85 0.00 0.00 174.74 174.06 2dmc s LEU 84 N -1.55 3.46 -0.29 0.89 1.43 -1.26 -1.43 118.68 119.93 2dmc s LEU 84 Ca 0.23 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 2dmc s LEU 84 Cb -0.13 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2dmc s LEU 84 CO 0.13 -0.15 0.46 -0.69 0.23 0.00 0.00 176.35 176.32 2dmc s VAL 85 N 1.39 5.10 -0.51 -1.59 1.01 0.07 -3.48 120.40 122.40 2dmc s VAL 85 Ca 0.01 0.60 -0.23 0.00 0.00 0.00 0.00 61.98 62.36 2dmc s VAL 85 Cb -0.17 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.44 2dmc s VAL 85 CO -0.02 0.03 0.82 -0.44 0.00 0.00 0.00 175.10 175.49 2dmc s SER 86 N 1.64 6.34 -0.22 3.32 0.01 0.17 0.25 113.70 125.21 2dmc s SER 86 Ca 0.18 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 2dmc s SER 86 Cb -0.16 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2dmc s SER 86 CO 0.11 -1.05 -0.09 -0.63 0.41 0.00 0.00 173.24 171.99 2dmc s ILE 87 N 3.44 2.88 0.28 1.44 -1.09 -1.26 -2.59 121.20 124.30 2dmc s ILE 87 Ca 0.27 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.94 2dmc s ILE 87 Cb -0.14 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 2dmc s ILE 87 CO 0.19 0.38 0.15 -0.54 -1.23 0.00 0.00 174.94 173.89 2dmc s LYS 88 N 1.38 1.50 -0.26 2.79 1.02 -1.26 -1.50 119.74 123.42 2dmc s LYS 88 Ca 0.04 -1.84 0.00 0.00 0.02 0.00 0.00 55.97 54.19 2dmc s LYS 88 Cb -0.15 -0.04 0.07 0.00 -0.52 0.00 0.00 37.83 37.20 2dmc s LYS 88 CO -0.06 -0.42 0.01 0.21 -0.92 0.00 0.00 175.35 174.16 2dmc s LYS 89 N -3.89 1.26 -1.84 1.68 2.20 0.27 -0.57 119.74 118.85 2dmc s LYS 89 Ca 0.37 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 2dmc s LYS 89 Cb 0.06 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 2dmc s LYS 89 CO 0.16 -0.73 0.00 0.09 -0.36 0.00 0.00 175.35 174.52 2dmc n ASN 90 N 4.72 -5.68 0.00 1.43 3.02 -1.07 -1.67 115.26 116.01 2dmc n ASN 90 Ca -0.07 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2dmc n ASN 90 Cb 0.44 -4.77 0.00 0.00 -0.61 0.00 0.00 39.78 34.84 2dmc n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dmc n GLY 91 N -0.88 0.85 2.75 7.41 0.00 -1.26 -5.06 105.19 109.01 2dmc n GLY 91 Ca -0.23 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 4.07 0.27 1.61 0.01 -0.67 -5.10 114.94 112.92 2dmc s ASN 92 Ca 0.00 -1.71 -0.19 0.00 -0.71 0.00 0.00 52.86 50.25 2dmc s ASN 92 Cb 0.00 -0.93 -0.13 0.00 0.41 0.00 0.00 41.25 40.61 2dmc s ASN 92 CO 0.00 -0.41 0.19 1.41 -1.51 0.00 0.00 177.10 176.78 2dmc n HIS 93 N 4.76 -1.24 -3.74 2.20 8.25 -1.26 -0.56 115.22 123.63 2dmc n HIS 93 Ca -0.01 0.59 -0.24 0.00 -0.26 0.00 0.00 57.72 57.80 2dmc n HIS 93 Cb 0.42 -1.46 -0.01 0.00 1.12 0.00 0.00 29.99 30.06 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 -1.15 1.94 0.59 1.59 -7.23 -0.56 -4.66 120.40 110.92 2dmc s VAL 94 Ca 0.48 -1.42 -0.19 0.00 -1.81 0.00 0.00 61.98 59.05 2dmc s VAL 94 Cb -0.59 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 2dmc s VAL 94 CO 0.48 0.00 1.24 0.00 -0.31 0.00 0.00 175.10 176.51 2dmc s ALA 95 N -2.69 2.56 -1.68 1.32 0.00 -1.26 -2.74 121.76 117.27 2dmc s ALA 95 Ca 0.40 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2dmc s ALA 95 Cb -0.02 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2dmc s ALA 95 CO 0.25 -1.25 0.00 0.09 0.00 0.00 0.00 175.76 174.85 2dmc n ASN 96 N -1.54 -5.58 -4.04 0.00 3.02 -1.26 -4.88 115.26 100.98 2dmc n ASN 96 Ca 0.13 -0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.50 2dmc n ASN 96 Cb 0.49 -4.62 -0.14 0.00 -0.61 0.00 0.00 39.78 34.89 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 -2.15 1.15 0.73 6.41 0.15 -1.11 -3.48 113.70 115.41 2dmc s SER 97 Ca 0.00 -0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.30 2dmc s SER 97 Cb 0.00 -0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 2dmc s SER 97 CO 0.00 0.09 1.10 -2.16 1.20 0.00 0.00 173.24 173.46 2dmc s PRO 98 N -0.41 2.45 -0.08 5.44 0.04 -1.26 -4.81 135.00 136.38 2dmc s PRO 98 Ca 0.03 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 2dmc s PRO 98 Cb -0.04 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2dmc s PRO 98 CO -0.00 -1.50 0.57 0.08 0.04 0.00 0.00 177.00 176.19 2dmc s VAL 99 N -2.69 5.09 -0.30 -0.36 1.01 0.14 -4.80 120.40 118.48 2dmc s VAL 99 Ca 0.63 1.17 -0.21 0.00 0.00 0.00 0.00 61.98 63.57 2dmc s VAL 99 Cb -0.18 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2dmc s VAL 99 CO 0.51 0.32 0.66 -0.94 0.00 0.00 0.00 175.10 175.65 2dmc s SER 100 N 0.50 6.53 0.05 3.32 1.04 -1.26 -0.75 113.70 123.14 2dmc s SER 100 Ca 0.31 0.49 0.08 0.00 0.48 0.00 0.00 55.95 57.31 2dmc s SER 100 Cb -0.17 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 2dmc s SER 100 CO 0.14 -0.50 -0.20 -0.63 0.98 0.00 0.00 173.24 173.04 2dmc s ILE 101 N 2.67 2.68 -0.21 -1.02 1.01 -0.52 -5.00 121.20 120.81 2dmc s ILE 101 Ca 0.27 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 2dmc s ILE 101 Cb -0.15 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 2dmc s ILE 101 CO 0.12 0.32 -0.08 -0.32 0.00 0.00 0.00 174.94 174.98 2dmc s MET 102 N -1.48 3.29 0.00 2.79 -2.45 -1.26 -1.11 119.30 119.08 2dmc s MET 102 Ca 0.14 -0.67 0.04 0.00 -1.25 0.00 0.00 55.69 53.95 2dmc s MET 102 Cb -0.10 -2.91 -0.03 0.00 1.25 0.00 0.00 34.83 33.03 2dmc s MET 102 CO 0.05 -0.20 -0.09 0.08 1.05 0.00 0.00 175.02 175.91 2dmc s VAL 103 N 1.44 3.46 -0.13 10.11 1.01 -0.00 -4.39 120.40 131.89 2dmc s VAL 103 Ca 0.06 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 2dmc s VAL 103 Cb -0.14 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.81 2dmc s VAL 103 CO -0.05 0.41 0.55 0.68 0.00 0.00 0.00 175.10 176.69 2dmc s VAL 104 N -0.95 0.01 0.18 2.92 -7.23 -1.25 -0.69 120.40 113.38 2dmc s VAL 104 Ca 0.16 -0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.94 2dmc s VAL 104 Cb -0.11 -0.81 -0.08 0.00 0.56 0.00 0.00 36.38 35.94 2dmc s VAL 104 CO 0.06 -0.05 1.06 0.00 -0.31 0.00 0.00 175.10 175.87 2dmc s GLN 105 N -0.41 4.64 0.23 4.82 0.00 -1.26 -4.13 119.66 123.54 2dmc s GLN 105 Ca -0.06 1.66 -0.32 0.00 -0.00 0.00 0.00 55.36 56.65 2dmc s GLN 105 Cb -0.03 -3.29 -0.13 0.00 0.00 0.00 0.00 33.01 29.56 2dmc s GLN 105 CO 0.04 0.14 1.58 0.43 0.00 0.00 0.00 175.29 177.49 2dmc n SER 106 N 2.28 3.46 -4.13 12.60 7.64 -1.26 -4.96 113.62 129.24 2dmc n SER 106 Ca 0.02 1.11 -0.38 0.00 1.01 0.00 0.00 58.87 60.63 2dmc n SER 106 Cb 0.47 -1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 2dmc n SER 106 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2dmc s GLU 107 N 0.31 2.37 0.09 1.43 2.12 -1.26 -4.97 118.70 118.79 2dmc s GLU 107 Ca 0.72 -2.12 -0.32 0.00 0.36 0.00 0.00 54.97 53.60 2dmc s GLU 107 Cb -0.58 -3.74 -0.14 0.00 0.26 0.00 0.00 34.13 29.93 2dmc s GLU 107 CO 0.42 -1.14 1.60 0.82 -0.54 0.00 0.00 175.26 176.42 2dmc h ILE 108 N 5.82 0.21 -0.04 -3.70 1.08 -2.06 -3.48 117.51 115.34 2dmc h ILE 108 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2dmc h ILE 108 Cb 1.01 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2dmc h ILE 108 CO 0.73 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.80 2dmc n GLY 109 N -1.49 -2.08 3.55 5.37 0.00 -1.26 -4.66 105.19 104.61 2dmc n GLY 109 Ca -0.11 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 2dmc n GLY 109 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dmc n ASP 110 N 0.91 1.94 -4.44 1.61 2.03 -1.26 -4.91 116.55 112.43 2dmc n ASP 110 Ca 0.00 -0.83 -0.37 0.00 0.52 0.00 0.00 54.79 54.11 2dmc n ASP 110 Cb 0.00 -1.56 -0.12 0.00 -0.72 0.00 0.00 41.12 38.72 2dmc n ASP 110 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2dmc s SER 111 N 11.32 5.36 0.00 1.67 1.04 -1.26 -4.74 113.70 127.09 2dmc s SER 111 Ca 0.99 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2dmc s SER 111 Cb -0.23 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2dmc s SER 111 CO 0.22 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2dmc n GLY 112 N 4.95 0.68 0.11 7.32 0.00 -1.26 -4.98 105.19 112.00 2dmc n GLY 112 Ca -0.15 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.32 2dmc n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmc n PRO 113 N -0.05 0.15 -4.68 1.61 -0.04 -1.26 -4.66 135.00 126.07 2dmc n PRO 113 Ca 0.00 0.40 -0.33 0.00 -0.04 0.00 0.00 63.50 63.52 2dmc n PRO 113 Cb 0.02 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 31.55 2dmc n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmc s SER 114 N -3.99 4.40 -0.19 3.54 0.15 -1.26 -5.11 113.70 111.24 2dmc s SER 114 Ca 0.05 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 2dmc s SER 114 Cb 0.09 -1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 63.12 2dmc s SER 114 CO 0.36 0.29 -0.09 -0.94 1.20 0.00 0.00 173.24 174.06 2dmc s SER 115 N -0.38 4.04 0.00 5.45 1.04 -1.26 -5.20 113.70 117.39 2dmc s SER 115 Ca 0.05 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2dmc s SER 115 Cb -0.12 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2dmc s SER 115 CO 0.02 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.88