#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 -0.43 -0.16 1.61 0.15 -1.26 -5.13 113.70 108.48 2dmc s SER 2 Ca 0.00 0.67 -0.29 0.00 0.70 0.00 0.00 55.95 57.02 2dmc s SER 2 Cb 0.00 1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 65.54 2dmc s SER 2 CO 0.00 -0.10 1.59 -0.44 1.20 0.00 0.00 173.24 175.49 2dmc s SER 3 N 1.56 6.54 -0.42 5.45 0.01 -1.26 -4.87 113.70 120.71 2dmc s SER 3 Ca -0.07 1.85 0.05 0.00 1.31 0.00 0.00 55.95 59.08 2dmc s SER 3 Cb -0.04 -2.53 0.29 0.00 0.21 0.00 0.00 66.02 63.95 2dmc s SER 3 CO -0.15 -1.09 1.13 0.61 0.41 0.00 0.00 173.24 174.16 2dmc n GLY 4 N 4.36 -0.28 3.81 3.44 0.00 -1.26 -5.15 105.19 110.10 2dmc n GLY 4 Ca 0.18 0.35 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 2dmc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmc s SER 5 N -1.04 -0.27 0.00 1.61 0.01 -1.26 -5.03 113.70 107.72 2dmc s SER 5 Ca 0.25 -0.53 0.22 0.00 1.31 0.00 0.00 55.95 57.20 2dmc s SER 5 Cb 0.26 0.68 0.70 0.00 0.21 0.00 0.00 66.02 67.88 2dmc s SER 5 CO -0.14 -1.25 1.53 -1.54 0.41 0.00 0.00 173.24 172.25 2dmc n SER 6 N -0.45 1.98 -3.61 2.44 3.41 -1.26 -4.96 113.62 111.17 2dmc n SER 6 Ca -0.05 -1.75 -0.24 0.00 -0.26 0.00 0.00 58.87 56.57 2dmc n SER 6 Cb 0.60 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.48 2dmc n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmc n GLY 7 N 1.20 -0.71 3.78 5.00 0.00 -1.26 -4.94 105.19 108.26 2dmc n GLY 7 Ca 0.17 0.34 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.55 3.39 -0.06 -0.61 -4.36 -1.26 -4.97 121.20 109.77 2dmc s ILE 8 Ca 0.26 0.96 -0.30 0.00 -0.26 0.00 0.00 60.65 61.31 2dmc s ILE 8 Cb -0.07 -3.44 -0.05 0.00 1.25 0.00 0.00 42.46 40.15 2dmc s ILE 8 CO 0.82 -0.09 1.50 -2.16 0.24 0.00 0.00 174.94 175.25 2dmc s PRO 9 N -2.93 4.22 0.00 0.37 0.04 -1.26 -4.95 135.00 130.49 2dmc s PRO 9 Ca 0.66 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2dmc s PRO 9 Cb -0.23 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2dmc s PRO 9 CO 0.28 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2dmc n GLY 10 N 3.89 4.20 3.02 0.56 0.00 -1.26 -5.17 105.19 110.44 2dmc n GLY 10 Ca 0.15 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 2dmc n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmc s SER 11 N 1.00 0.95 1.12 1.61 0.01 -1.26 -5.16 113.70 111.98 2dmc s SER 11 Ca 0.00 -0.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.88 2dmc s SER 11 Cb 0.00 -0.08 0.25 0.00 0.21 0.00 0.00 66.02 66.40 2dmc s SER 11 CO 0.00 0.05 1.10 -2.16 0.41 0.00 0.00 173.24 172.64 2dmc s PRO 12 N -0.43 -0.59 -0.07 12.44 0.04 -1.26 -5.04 135.00 140.09 2dmc s PRO 12 Ca 0.01 0.17 -0.05 0.00 0.04 0.00 0.00 61.00 61.17 2dmc s PRO 12 Cb -0.04 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2dmc s PRO 12 CO -0.00 -3.34 -0.11 1.19 0.04 0.00 0.00 177.00 174.78 2dmc n PHE 13 N -4.54 0.00 -2.90 0.56 3.01 -1.26 -5.02 117.46 107.31 2dmc n PHE 13 Ca 0.10 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.16 2dmc n PHE 13 Cb 0.59 -0.29 -0.06 0.00 -0.01 0.00 0.00 39.48 39.71 2dmc n PHE 13 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2dmc s THR 14 N -2.19 4.27 -0.72 4.37 -4.23 -1.26 -5.01 115.64 110.87 2dmc s THR 14 Ca -0.12 1.85 -0.21 0.00 -1.18 0.00 0.00 61.69 62.03 2dmc s THR 14 Cb 0.04 -4.21 0.09 0.00 1.34 0.00 0.00 72.50 69.77 2dmc s THR 14 CO 0.15 0.51 0.95 0.00 -0.54 0.00 0.00 174.62 175.69 2dmc s ALA 15 N -1.13 3.25 -0.53 3.99 0.00 -1.26 -4.97 121.76 121.10 2dmc s ALA 15 Ca 0.38 -2.18 -0.43 0.00 0.00 0.00 0.00 51.96 49.73 2dmc s ALA 15 Cb -0.24 -3.84 -0.19 0.00 0.00 0.00 0.00 23.12 18.85 2dmc s ALA 15 CO 0.28 -2.74 2.18 0.36 0.00 0.00 0.00 175.76 175.85 2dmc n LYS 16 N 7.08 0.02 0.30 0.00 2.85 -1.26 -4.75 118.16 122.41 2dmc n LYS 16 Ca 0.02 0.01 0.17 0.00 -1.05 0.00 0.00 58.31 57.46 2dmc n LYS 16 Cb 0.46 -1.52 0.95 0.00 -0.65 0.00 0.00 35.03 34.27 2dmc n LYS 16 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 177.40 176.51 2dmc h ILE 17 N 7.08 0.30 -6.60 0.58 3.07 -2.06 -3.46 117.51 116.42 2dmc h ILE 17 Ca -0.10 -0.20 -0.52 0.00 1.55 0.00 0.00 64.86 65.59 2dmc h ILE 17 Cb 1.41 1.14 -0.13 0.00 -0.27 0.00 0.00 36.82 38.98 2dmc h ILE 17 CO 1.11 0.03 -0.85 0.41 -1.05 0.00 0.00 178.15 177.81 2dmc n THR 18 N -3.44 -1.92 -0.02 0.16 -1.04 -1.26 -4.85 114.28 101.91 2dmc n THR 18 Ca -0.02 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.05 61.73 2dmc n THR 18 Cb 0.14 -2.19 -0.02 0.00 -1.82 0.00 0.00 70.33 66.45 2dmc n THR 18 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2dmc n ASP 19 N -2.80 0.79 0.24 8.00 2.03 -1.26 -4.80 116.55 118.76 2dmc n ASP 19 Ca -0.08 0.12 -0.16 0.00 0.52 0.00 0.00 54.79 55.20 2dmc n ASP 19 Cb 0.57 -0.29 -0.08 0.00 -0.72 0.00 0.00 41.12 40.60 2dmc n ASP 19 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2dmc h ASP 20 N -0.25 -0.72 -2.98 1.67 3.32 -2.02 -3.45 116.42 111.98 2dmc h ASP 20 Ca -0.12 0.05 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 2dmc h ASP 20 Cb 0.84 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 2dmc h ASP 20 CO -0.07 -0.43 -0.32 -1.54 -1.72 0.00 0.00 179.24 175.16 2dmc n SER 21 N -5.41 -4.01 -3.69 6.45 3.41 -1.26 -4.93 113.62 104.17 2dmc n SER 21 Ca -0.10 0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 2dmc n SER 21 Cb 0.31 -3.49 0.24 0.00 -0.26 0.00 0.00 64.21 61.02 2dmc n SER 21 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2dmc s ARG 22 N -4.45 -1.27 0.11 4.33 0.52 -1.26 -4.99 118.95 111.93 2dmc s ARG 22 Ca 0.00 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 2dmc s ARG 22 Cb 0.00 -1.61 -0.06 0.00 0.52 0.00 0.00 34.95 33.81 2dmc s ARG 22 CO 0.00 -3.72 0.96 0.50 0.02 0.00 0.00 175.30 173.06 2dmc s ARG 23 N -5.56 4.69 -0.27 3.54 3.00 -1.26 -5.04 118.95 118.04 2dmc s ARG 23 Ca 0.73 1.44 -0.22 0.00 -1.00 0.00 0.00 55.73 56.68 2dmc s ARG 23 Cb -0.07 -3.38 0.07 0.00 0.00 0.00 0.00 34.95 31.57 2dmc s ARG 23 CO 0.55 0.21 0.71 0.00 0.00 0.00 0.00 175.30 176.77 2dmc s SER 25 N 0.79 3.03 -0.33 0.00 0.01 -1.26 -5.10 113.70 110.83 2dmc s SER 25 Ca -0.03 -0.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 2dmc s SER 25 Cb -0.05 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 2dmc s SER 25 CO -0.06 0.14 0.47 -1.58 0.41 0.00 0.00 173.24 172.62 2dmc s GLN 26 N 0.45 3.69 0.18 12.44 0.74 -1.26 -4.47 119.66 131.43 2dmc s GLN 26 Ca -0.16 -0.15 0.11 0.00 0.05 0.00 0.00 55.36 55.21 2dmc s GLN 26 Cb -0.17 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 30.11 2dmc s GLN 26 CO 0.07 -0.56 -0.24 0.08 -0.55 0.00 0.00 175.29 174.08 2dmc s VAL 27 N 2.28 2.30 -0.02 1.34 1.01 -1.26 -5.00 120.40 121.05 2dmc s VAL 27 Ca 0.17 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.03 2dmc s VAL 27 Cb -0.16 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2dmc s VAL 27 CO 0.12 -0.08 0.44 -0.54 0.00 0.00 0.00 175.10 175.04 2dmc s LYS 28 N -2.53 4.05 0.26 2.72 -0.14 -1.26 -4.05 119.74 118.80 2dmc s LYS 28 Ca 0.19 0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 54.95 2dmc s LYS 28 Cb -0.08 -3.28 -0.09 0.00 -1.68 0.00 0.00 37.83 32.70 2dmc s LYS 28 CO 0.09 0.55 0.95 -1.17 -0.76 0.00 0.00 175.35 175.01 2dmc s LEU 29 N -0.65 4.57 -1.10 3.17 2.96 -1.26 -3.48 118.68 122.89 2dmc s LEU 29 Ca 0.24 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 2dmc s LEU 29 Cb -0.16 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 42.82 2dmc s LEU 29 CO 0.13 0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.85 2dmc n GLY 30 N 1.26 0.99 2.89 7.98 0.00 0.31 -4.99 105.19 113.63 2dmc n GLY 30 Ca -0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.82 0.44 -0.42 1.61 0.01 -1.23 -4.99 113.70 106.31 2dmc s SER 31 Ca 0.00 -0.05 -0.28 0.00 1.31 0.00 0.00 55.95 56.93 2dmc s SER 31 Cb 0.00 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 2dmc s SER 31 CO 0.00 -0.02 1.72 0.00 0.41 0.00 0.00 173.24 175.35 2dmc s ALA 32 N 0.39 2.75 -0.05 1.44 0.00 -1.26 -4.20 121.76 120.84 2dmc s ALA 32 Ca -0.04 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2dmc s ALA 32 Cb -0.07 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 2dmc s ALA 32 CO -0.01 -2.86 -0.16 0.00 0.00 0.00 0.00 175.76 172.73 2dmc s ALA 33 N 7.02 2.60 0.57 0.00 0.00 -1.09 -4.94 121.76 125.92 2dmc s ALA 33 Ca 0.72 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 2dmc s ALA 33 Cb -0.18 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 2dmc s ALA 33 CO 0.30 0.55 0.98 0.16 0.00 0.00 0.00 175.76 177.76 2dmc s ASP 34 N -0.72 6.35 -0.06 0.00 -4.77 -1.26 -3.77 116.67 112.44 2dmc s ASP 34 Ca 0.11 1.40 -0.01 0.00 -3.30 0.00 0.00 52.55 50.75 2dmc s ASP 34 Cb -0.11 -2.45 0.03 0.00 -1.09 0.00 0.00 42.92 39.30 2dmc s ASP 34 CO 0.00 -0.75 0.00 -0.36 0.70 0.00 0.00 175.17 174.77 2dmc s PHE 35 N -2.96 0.53 -0.52 2.11 0.08 -1.00 -4.99 117.98 111.23 2dmc s PHE 35 Ca 0.55 -0.08 -0.20 0.00 0.12 0.00 0.00 56.93 57.32 2dmc s PHE 35 Cb -0.11 -0.67 0.06 0.00 -0.57 0.00 0.00 43.02 41.74 2dmc s PHE 35 CO 0.46 -0.25 0.67 -1.17 -0.10 0.00 0.00 175.22 174.83 2dmc s LEU 36 N 1.68 4.91 -0.01 -0.37 2.96 -1.26 -2.98 118.68 123.61 2dmc s LEU 36 Ca 0.00 -0.92 0.06 0.00 -0.22 0.00 0.00 54.13 53.05 2dmc s LEU 36 Cb -0.13 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 2dmc s LEU 36 CO -0.04 -0.96 -0.17 -1.48 -1.32 0.00 0.00 176.35 172.38 2dmc s LEU 37 N 2.80 2.58 -0.60 -0.68 2.34 -1.23 -5.07 118.68 118.81 2dmc s LEU 37 Ca 0.16 -0.32 -0.21 0.00 0.06 0.00 0.00 54.13 53.82 2dmc s LEU 37 Cb -0.19 -1.51 0.08 0.00 -0.56 0.00 0.00 46.19 44.01 2dmc s LEU 37 CO 0.12 0.31 0.83 -1.81 -1.06 0.00 0.00 176.35 174.74 2dmc s ASP 38 N -0.98 6.20 -0.03 1.48 1.01 -1.26 -4.62 116.67 118.47 2dmc s ASP 38 Ca 0.12 -1.06 0.04 0.00 0.71 0.00 0.00 52.55 52.36 2dmc s ASP 38 Cb -0.10 -2.36 -0.00 0.00 1.01 0.00 0.00 42.92 41.46 2dmc s ASP 38 CO 0.02 -1.23 -0.15 0.27 0.21 0.00 0.00 175.17 174.29 2dmc s ILE 39 N 3.39 1.20 -0.12 0.77 -4.36 -1.26 -4.98 121.20 115.85 2dmc s ILE 39 Ca 0.18 -0.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.97 2dmc s ILE 39 Cb -0.19 -1.03 0.12 0.00 1.25 0.00 0.00 42.46 42.61 2dmc s ILE 39 CO 0.10 0.35 1.55 -1.20 0.24 0.00 0.00 174.94 175.98 2dmc n SER 40 N 3.02 4.34 -3.88 4.36 7.64 -1.26 -4.75 113.62 123.08 2dmc n SER 40 Ca -0.17 -2.50 -0.27 0.00 1.01 0.00 0.00 58.87 56.95 2dmc n SER 40 Cb 0.54 -0.80 -0.17 0.00 -1.01 0.00 0.00 64.21 62.77 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 -0.75 1.39 -0.19 1.43 0.41 -1.26 -5.01 118.70 114.72 2dmc s GLU 41 Ca 0.13 -0.27 -0.11 0.00 -0.41 0.00 0.00 54.97 54.31 2dmc s GLU 41 Cb 0.10 -1.62 -0.21 0.00 -1.78 0.00 0.00 34.13 30.63 2dmc s GLU 41 CO 0.01 -0.31 0.12 -2.37 -0.49 0.00 0.00 175.26 172.22 2dmc n THR 42 N 4.95 1.63 -1.54 3.63 5.66 -1.26 -4.88 114.28 122.47 2dmc n THR 42 Ca -0.12 -0.41 -0.51 0.00 -3.05 0.00 0.00 64.05 59.96 2dmc n THR 42 Cb 0.49 -1.80 -0.06 0.00 -1.55 0.00 0.00 70.33 67.41 2dmc n THR 42 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2dmc n ASP 43 N -3.85 2.47 -0.02 1.09 -0.08 -1.26 -4.87 116.55 110.04 2dmc n ASP 43 Ca -0.37 0.60 -0.01 0.00 -1.51 0.00 0.00 54.79 53.50 2dmc n ASP 43 Cb 0.91 -1.28 -0.00 0.00 2.34 0.00 0.00 41.12 43.08 2dmc n ASP 43 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2dmc h LEU 44 N 11.16 -0.06 -0.64 -2.67 4.07 -1.91 -3.23 115.31 122.04 2dmc h LEU 44 Ca -0.35 0.00 0.13 0.00 0.08 0.00 0.00 57.88 57.74 2dmc h LEU 44 Cb 1.31 0.01 -0.12 0.00 1.08 0.00 0.00 40.66 42.94 2dmc h LEU 44 CO 0.99 0.41 -0.19 -1.28 -1.08 0.00 0.00 178.44 177.30 2dmc h SER 45 N -0.96 -0.68 -0.84 -0.43 0.87 -1.97 0.43 113.55 109.97 2dmc h SER 45 Ca -0.01 0.20 0.19 0.00 -1.23 0.00 0.00 61.79 60.94 2dmc h SER 45 Cb 0.05 0.43 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 2dmc h SER 45 CO 0.01 -0.23 0.56 -1.28 -0.53 0.00 0.00 176.83 175.36 2dmc h SER 46 N -0.03 0.36 -3.54 6.23 0.87 -1.95 -3.41 113.55 112.08 2dmc h SER 46 Ca 0.30 0.03 -0.49 0.00 -1.23 0.00 0.00 61.79 60.41 2dmc h SER 46 Cb 0.49 -0.04 0.04 0.00 -0.44 0.00 0.00 62.40 62.45 2dmc h SER 46 CO -0.67 0.16 0.11 -0.76 -0.53 0.00 0.00 176.83 175.14 2dmc s LEU 47 N -9.33 3.57 0.22 2.23 1.43 0.15 -2.02 118.68 114.94 2dmc s LEU 47 Ca -0.08 0.86 0.09 0.00 -1.03 0.00 0.00 54.13 53.98 2dmc s LEU 47 Cb 0.22 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2dmc s LEU 47 CO 0.78 -0.66 -0.06 -0.89 0.23 0.00 0.00 176.35 175.74 2dmc s THR 48 N -2.77 3.26 -0.11 5.49 2.01 0.24 -4.91 115.64 118.85 2dmc s THR 48 Ca 0.48 -1.81 -0.01 0.00 0.31 0.00 0.00 61.69 60.67 2dmc s THR 48 Cb -0.10 -2.67 0.03 0.00 0.01 0.00 0.00 72.50 69.76 2dmc s THR 48 CO 0.45 -0.23 -0.06 0.00 -0.69 0.00 0.00 174.62 174.08 2dmc s ALA 49 N -2.01 1.25 -0.17 7.40 0.00 -1.26 -3.97 121.76 123.01 2dmc s ALA 49 Ca 0.28 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 2dmc s ALA 49 Cb -0.08 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.18 2dmc s ALA 49 CO 0.17 -0.46 0.44 -1.12 0.00 0.00 0.00 175.76 174.78 2dmc s SER 50 N 1.74 -0.47 -0.02 0.00 0.01 -1.00 -4.92 113.70 109.04 2dmc s SER 50 Ca 0.05 0.89 0.01 0.00 1.31 0.00 0.00 55.95 58.20 2dmc s SER 50 Cb -0.13 0.88 0.02 0.00 0.21 0.00 0.00 66.02 67.00 2dmc s SER 50 CO -0.08 -0.16 -0.01 -0.63 0.41 0.00 0.00 173.24 172.78 2dmc s ILE 51 N 0.42 0.17 -0.27 1.44 1.01 -1.26 0.80 121.20 123.52 2dmc s ILE 51 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 2dmc s ILE 51 Cb -0.04 -0.24 0.09 0.00 0.01 0.00 0.00 42.46 42.28 2dmc s ILE 51 CO -0.02 0.12 0.08 -0.75 0.00 0.00 0.00 174.94 174.37 2dmc s LYS 52 N 0.70 0.59 1.04 2.79 2.47 -1.21 -2.75 119.74 123.36 2dmc s LYS 52 Ca -0.07 -0.76 -0.24 0.00 -1.56 0.00 0.00 55.97 53.33 2dmc s LYS 52 Cb -0.10 -1.86 -0.10 0.00 -1.46 0.00 0.00 37.83 34.31 2dmc s LYS 52 CO -0.01 -0.89 -1.03 0.00 0.16 0.00 0.00 175.35 173.58 2dmc n ALA 53 N 4.99 -5.27 0.31 3.13 0.00 -0.29 -4.24 120.51 119.14 2dmc n ALA 53 Ca -0.05 -1.32 0.16 0.00 0.00 0.00 0.00 53.44 52.23 2dmc n ALA 53 Cb 0.44 -1.04 0.66 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.33 0.00 -0.57 0.00 0.13 -1.89 -2.37 132.00 125.97 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 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2dmc h PRO 54 CO 0.27 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.49 2dmc n SER 55 N -2.88 3.26 -0.10 1.44 2.88 -1.26 -4.91 113.62 112.05 2dmc n SER 55 Ca 0.01 -1.98 -0.01 0.00 -1.33 0.00 0.00 58.87 55.55 2dmc n SER 55 Cb 0.28 -0.38 -0.00 0.00 -0.75 0.00 0.00 64.21 63.36 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 1.48 0.41 3.53 0.46 0.00 -0.89 -5.02 105.19 105.15 2dmc n GLY 56 Ca 0.20 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.89 3.50 0.73 1.61 1.81 -1.26 -4.86 118.95 117.59 2dmc s ARG 57 Ca 0.00 -0.64 -0.14 0.00 -1.72 0.00 0.00 55.73 53.23 2dmc s ARG 57 Cb 0.00 -3.80 0.04 0.00 -0.45 0.00 0.00 34.95 30.74 2dmc s ARG 57 CO 0.00 -0.44 1.17 0.34 -0.68 0.00 0.00 175.30 175.69 2dmc s ASP 58 N 1.72 4.38 0.01 0.23 2.15 -1.26 -1.13 116.67 122.76 2dmc s ASP 58 Ca 0.06 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.26 2dmc s ASP 58 Cb -0.17 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.87 2dmc s ASP 58 CO 0.10 -2.13 -0.02 -1.61 -0.17 0.00 0.00 175.17 171.34 2dmc s GLU 59 N -4.06 0.20 -0.59 4.34 0.41 -1.11 -4.87 118.70 113.02 2dmc s GLU 59 Ca 0.71 -0.27 -0.27 0.00 -0.41 0.00 0.00 54.97 54.74 2dmc s GLU 59 Cb -0.26 -0.06 -0.02 0.00 -1.78 0.00 0.00 34.13 32.02 2dmc s GLU 59 CO 0.46 0.01 1.85 -1.25 -0.49 0.00 0.00 175.26 175.83 2dmc s PRO 60 N -0.57 2.70 0.01 0.39 0.04 -1.26 -4.48 135.00 131.83 2dmc s PRO 60 Ca -0.05 0.68 0.02 0.00 0.04 0.00 0.00 61.00 61.69 2dmc s PRO 60 Cb -0.04 -4.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.10 2dmc s PRO 60 CO -0.00 -2.64 -0.01 0.00 0.04 0.00 0.00 177.00 174.39 2dmc s LEU 62 N -1.60 0.65 -0.09 0.00 1.98 0.13 -4.93 118.68 114.81 2dmc s LEU 62 Ca 0.20 0.24 -0.17 0.00 -2.89 0.00 0.00 54.13 51.51 2dmc s LEU 62 Cb -0.11 0.24 -0.05 0.00 0.66 0.00 0.00 46.19 46.93 2dmc s LEU 62 CO 0.11 -0.16 0.45 -0.76 -1.89 0.00 0.00 176.35 174.09 2dmc s LEU 63 N 1.36 4.32 0.21 -0.68 1.43 -1.26 -0.28 118.68 123.77 2dmc s LEU 63 Ca -0.07 0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2dmc s LEU 63 Cb -0.12 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2dmc s LEU 63 CO -0.05 0.08 0.20 -1.59 0.23 0.00 0.00 176.35 175.21 2dmc s LYS 64 N 0.24 1.28 -0.17 1.70 -2.85 -1.17 -5.01 119.74 113.77 2dmc s LYS 64 Ca 0.25 -1.57 -0.14 0.00 -1.00 0.00 0.00 55.97 53.50 2dmc s LYS 64 Cb -0.15 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.88 2dmc s LYS 64 CO 0.10 -0.44 0.32 0.50 0.10 0.00 0.00 175.35 175.94 2dmc s ARG 65 N -4.11 4.25 0.13 1.78 6.06 -1.26 -3.47 118.95 122.32 2dmc s ARG 65 Ca 0.36 0.14 0.02 0.00 -2.50 0.00 0.00 55.73 53.75 2dmc s ARG 65 Cb 0.06 -3.45 -0.04 0.00 0.06 0.00 0.00 34.95 31.58 2dmc s ARG 65 CO 0.12 0.18 0.27 -0.51 -2.50 0.00 0.00 175.30 172.86 2dmc s LEU 66 N 0.64 4.34 1.17 -0.88 1.43 0.73 -4.93 118.68 121.18 2dmc s LEU 66 Ca 0.18 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.29 2dmc s LEU 66 Cb -0.13 -2.92 0.27 0.00 0.03 0.00 0.00 46.19 43.44 2dmc s LEU 66 CO 0.05 0.08 1.11 -2.16 0.23 0.00 0.00 176.35 175.66 2dmc s PRO 67 N -3.08 -1.00 -1.75 1.29 0.04 -1.26 -2.51 135.00 126.74 2dmc s PRO 67 Ca 0.35 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2dmc s PRO 67 Cb -0.11 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2dmc s PRO 67 CO 0.28 -3.58 0.00 0.09 0.04 0.00 0.00 177.00 173.84 2dmc n ASN 68 N -4.68 -5.61 -3.36 6.66 4.13 -1.26 -2.25 115.26 108.89 2dmc n ASN 68 Ca 0.12 0.06 -0.18 0.00 1.68 0.00 0.00 54.58 56.27 2dmc n ASN 68 Cb 0.59 -4.67 0.08 0.00 -1.54 0.00 0.00 39.78 34.24 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 -1.67 -2.90 -4.31 6.41 4.13 -1.26 -5.02 115.26 110.64 2dmc n ASN 69 Ca -0.23 -0.58 -0.16 0.00 1.68 0.00 0.00 54.58 55.29 2dmc n ASN 69 Cb 0.67 -4.93 -0.10 0.00 -1.54 0.00 0.00 39.78 33.88 2dmc n ASN 69 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2dmc s HIS 70 N -3.34 1.49 -0.03 3.10 3.76 -0.95 -5.06 115.29 114.26 2dmc s HIS 70 Ca 0.12 -1.06 -0.06 0.00 -0.15 0.00 0.00 55.06 53.91 2dmc s HIS 70 Cb -0.05 -0.88 0.01 0.00 1.11 0.00 0.00 32.58 32.77 2dmc s HIS 70 CO 0.70 -0.21 0.13 0.42 -0.85 0.00 0.00 174.74 174.93 2dmc s ILE 71 N -3.62 0.04 0.19 0.60 1.01 -1.26 -0.20 121.20 117.96 2dmc s ILE 71 Ca 0.32 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 2dmc s ILE 71 Cb 0.07 -0.30 0.02 0.00 0.01 0.00 0.00 42.46 42.25 2dmc s ILE 71 CO 0.10 -0.19 0.45 -0.83 0.00 0.00 0.00 174.94 174.47 2dmc s GLY 72 N -0.62 0.08 0.14 6.18 0.00 -1.23 -3.56 107.32 108.32 2dmc s GLY 72 Ca -0.07 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.26 2dmc s GLY 72 CO 0.01 -0.44 0.14 -1.50 0.00 0.00 0.00 173.10 171.31 2dmc s ILE 73 N -3.90 4.64 -0.12 0.90 2.07 -1.16 -3.01 121.20 120.62 2dmc s ILE 73 Ca 0.12 -0.93 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 2dmc s ILE 73 Cb 0.00 -3.33 0.01 0.00 0.13 0.00 0.00 42.46 39.27 2dmc s ILE 73 CO -0.02 -0.04 -0.16 -0.44 -1.91 0.00 0.00 174.94 172.37 2dmc s SER 74 N -2.92 2.53 0.17 4.50 0.01 0.61 -2.37 113.70 116.23 2dmc s SER 74 Ca 0.31 -0.45 -0.22 0.00 1.31 0.00 0.00 55.95 56.90 2dmc s SER 74 Cb -0.11 -1.13 0.06 0.00 0.21 0.00 0.00 66.02 65.05 2dmc s SER 74 CO 0.24 0.01 0.59 0.72 0.41 0.00 0.00 173.24 175.21 2dmc s PHE 75 N 1.02 -0.46 -0.35 2.43 -0.12 -1.25 0.23 117.98 119.48 2dmc s PHE 75 Ca -0.05 0.21 -0.07 0.00 -0.05 0.00 0.00 56.93 56.96 2dmc s PHE 75 Cb -0.15 0.54 0.04 0.00 -0.63 0.00 0.00 43.02 42.83 2dmc s PHE 75 CO -0.03 -0.88 0.14 0.42 -0.05 0.00 0.00 175.22 174.82 2dmc s ILE 76 N -3.78 3.91 -0.15 -4.49 1.01 -1.23 -2.66 121.20 113.81 2dmc s ILE 76 Ca 0.03 -1.16 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2dmc s ILE 76 Cb -0.01 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2dmc s ILE 76 CO -0.10 -0.24 1.56 -2.16 0.00 0.00 0.00 174.94 174.00 2dmc s PRO 77 N 1.41 4.03 0.19 2.79 0.04 -1.26 -4.63 135.00 137.57 2dmc s PRO 77 Ca -0.00 1.86 0.23 0.00 0.04 0.00 0.00 61.00 63.12 2dmc s PRO 77 Cb -0.20 -3.96 0.07 0.00 0.04 0.00 0.00 34.50 30.45 2dmc s PRO 77 CO 0.03 -1.00 1.11 0.00 0.04 0.00 0.00 177.00 177.17 2dmc h ARG 78 N 9.75 0.00 -5.00 4.56 2.47 -1.94 0.91 114.38 125.13 2dmc h ARG 78 Ca -0.34 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.04 2dmc h ARG 78 Cb 1.15 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.33 2dmc h ARG 78 CO 0.98 0.00 -0.67 -1.21 0.56 0.00 0.00 179.97 179.63 2dmc s GLU 79 N -3.32 1.21 -0.08 0.04 8.01 -1.26 -4.83 118.70 118.47 2dmc s GLU 79 Ca 0.01 -1.59 -0.01 0.00 0.01 0.00 0.00 54.97 53.40 2dmc s GLU 79 Cb 0.10 -0.51 -0.03 0.00 -4.31 0.00 0.00 34.13 29.38 2dmc s GLU 79 CO 0.78 -0.07 -0.04 0.14 0.01 0.00 0.00 175.26 176.07 2dmc s VAL 80 N -3.47 3.96 -3.07 2.63 -7.23 -1.26 -4.86 120.40 107.09 2dmc s VAL 80 Ca 0.25 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 2dmc s VAL 80 Cb 0.05 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2dmc s VAL 80 CO 0.06 0.59 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 2dmc n GLY 81 N 2.34 0.18 3.30 2.32 0.00 0.15 -4.95 105.19 108.53 2dmc n GLY 81 Ca -0.18 -1.14 -0.45 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.00 2.92 0.14 1.61 2.12 -1.26 -0.34 118.70 121.90 2dmc s GLU 82 Ca 0.00 -1.72 -0.20 0.00 0.36 0.00 0.00 54.97 53.41 2dmc s GLU 82 Cb 0.00 -4.25 -0.07 0.00 0.26 0.00 0.00 34.13 30.07 2dmc s GLU 82 CO 0.00 -1.31 0.65 -1.01 -0.54 0.00 0.00 175.26 173.05 2dmc s HIS 83 N 1.57 3.76 -0.23 5.30 3.76 -0.11 -4.41 115.29 124.91 2dmc s HIS 83 Ca 0.03 1.35 -0.01 0.00 -0.15 0.00 0.00 55.06 56.28 2dmc s HIS 83 Cb -0.29 -2.57 0.02 0.00 1.11 0.00 0.00 32.58 30.85 2dmc s HIS 83 CO 0.03 0.48 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.80 2dmc s LEU 84 N -1.48 2.99 -0.38 0.89 1.43 -1.26 -1.34 118.68 119.52 2dmc s LEU 84 Ca 0.36 -0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 52.45 2dmc s LEU 84 Cb -0.19 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.41 2dmc s LEU 84 CO 0.21 -0.10 0.49 -0.69 0.23 0.00 0.00 176.35 176.49 2dmc s VAL 85 N 1.31 5.03 -0.46 -1.59 1.01 0.28 -3.30 120.40 122.67 2dmc s VAL 85 Ca 0.01 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2dmc s VAL 85 Cb -0.16 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2dmc s VAL 85 CO -0.06 -0.31 1.19 -0.44 0.00 0.00 0.00 175.10 175.48 2dmc s SER 86 N 1.81 6.58 -0.19 3.32 0.01 0.24 0.33 113.70 125.79 2dmc s SER 86 Ca 0.16 0.55 0.01 0.00 1.31 0.00 0.00 55.95 57.98 2dmc s SER 86 Cb -0.16 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.55 2dmc s SER 86 CO 0.14 -1.29 -0.16 -0.63 0.41 0.00 0.00 173.24 171.71 2dmc s ILE 87 N 4.64 1.96 0.26 1.44 -1.09 -1.26 -2.38 121.20 124.77 2dmc s ILE 87 Ca 0.51 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 2dmc s ILE 87 Cb -0.08 -1.86 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 2dmc s ILE 87 CO 0.32 0.38 0.12 -0.54 -1.23 0.00 0.00 174.94 173.98 2dmc s LYS 88 N 1.30 1.43 -0.25 2.79 1.02 -1.25 -1.46 119.74 123.32 2dmc s LYS 88 Ca 0.02 -1.78 0.02 0.00 0.02 0.00 0.00 55.97 54.24 2dmc s LYS 88 Cb -0.15 -0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.08 2dmc s LYS 88 CO -0.11 -0.35 -0.08 0.21 -0.92 0.00 0.00 175.35 174.11 2dmc s LYS 89 N -4.00 1.94 -1.48 1.68 2.20 0.80 0.83 119.74 121.72 2dmc s LYS 89 Ca 0.37 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 2dmc s LYS 89 Cb 0.07 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2dmc s LYS 89 CO 0.14 -0.59 0.00 0.09 -0.36 0.00 0.00 175.35 174.63 2dmc n ASN 90 N 4.53 -4.85 0.00 1.43 3.02 -0.86 -0.93 115.26 117.61 2dmc n ASN 90 Ca -0.13 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2dmc n ASN 90 Cb 0.43 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 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 -0.82 0.89 2.76 7.41 0.00 -1.26 -5.06 105.19 109.11 2dmc n GLY 91 Ca -0.19 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.15 4.08 0.18 1.61 0.01 -0.11 -5.09 114.94 113.47 2dmc s ASN 92 Ca 0.00 -1.78 -0.21 0.00 -0.71 0.00 0.00 52.86 50.16 2dmc s ASN 92 Cb 0.00 -0.96 -0.13 0.00 0.41 0.00 0.00 41.25 40.57 2dmc s ASN 92 CO 0.00 -0.40 0.34 1.41 -1.51 0.00 0.00 177.10 176.94 2dmc n HIS 93 N 4.67 -0.61 -3.14 2.20 8.25 -1.26 -0.14 115.22 125.18 2dmc n HIS 93 Ca -0.00 0.70 -0.17 0.00 -0.26 0.00 0.00 57.72 57.99 2dmc n HIS 93 Cb 0.41 -1.50 0.05 0.00 1.12 0.00 0.00 29.99 30.07 2dmc n HIS 93 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2dmc n VAL 94 N -0.14 0.00 -2.29 1.59 0.24 -0.53 -4.65 118.33 112.54 2dmc n VAL 94 Ca 0.13 -1.64 -0.36 0.00 -2.04 0.00 0.00 64.34 60.43 2dmc n VAL 94 Cb 0.22 -0.53 -0.01 0.00 -1.47 0.00 0.00 33.84 32.05 2dmc n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dmc s ALA 95 N -2.59 2.88 -1.83 2.33 0.00 -1.26 -3.00 121.76 118.29 2dmc s ALA 95 Ca 0.47 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2dmc s ALA 95 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2dmc s ALA 95 CO 0.30 -0.65 0.00 0.09 0.00 0.00 0.00 175.76 175.50 2dmc n ASN 96 N -0.77 -5.58 -4.21 0.00 3.02 -1.26 -4.96 115.26 101.51 2dmc n ASN 96 Ca 0.09 0.15 -0.25 0.00 -0.03 0.00 0.00 54.58 54.53 2dmc n ASN 96 Cb 0.49 -4.68 -0.15 0.00 -0.61 0.00 0.00 39.78 34.84 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 -2.33 2.26 0.74 6.41 0.15 -1.16 -3.41 113.70 116.36 2dmc s SER 97 Ca 0.00 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.11 2dmc s SER 97 Cb 0.00 -0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.14 2dmc s SER 97 CO 0.00 0.18 1.10 -2.16 1.20 0.00 0.00 173.24 173.56 2dmc s PRO 98 N -0.80 2.40 0.02 5.44 0.04 -1.26 -4.81 135.00 136.02 2dmc s PRO 98 Ca 0.07 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.05 2dmc s PRO 98 Cb -0.08 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2dmc s PRO 98 CO 0.00 -1.54 0.92 0.08 0.04 0.00 0.00 177.00 176.50 2dmc s VAL 99 N -2.76 4.81 -0.30 -0.36 1.01 0.15 -4.75 120.40 118.20 2dmc s VAL 99 Ca 0.63 1.94 -0.17 0.00 0.00 0.00 0.00 61.98 64.38 2dmc s VAL 99 Cb -0.18 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2dmc s VAL 99 CO 0.52 0.22 0.46 -0.94 0.00 0.00 0.00 175.10 175.36 2dmc s SER 100 N 0.68 6.32 0.05 3.32 1.04 -1.26 -0.56 113.70 123.28 2dmc s SER 100 Ca 0.48 0.20 0.09 0.00 0.48 0.00 0.00 55.95 57.20 2dmc s SER 100 Cb -0.21 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 2dmc s SER 100 CO 0.27 -0.32 -0.25 -0.63 0.98 0.00 0.00 173.24 173.28 2dmc s ILE 101 N 2.24 2.02 -0.23 -1.02 1.01 -0.45 -5.00 121.20 119.77 2dmc s ILE 101 Ca 0.18 -1.37 -0.06 0.00 0.00 0.00 0.00 60.65 59.39 2dmc s ILE 101 Cb -0.16 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2dmc s ILE 101 CO 0.11 0.30 0.02 -0.32 0.00 0.00 0.00 174.94 175.05 2dmc s MET 102 N -1.30 3.54 -0.09 2.79 -2.45 -1.26 -0.93 119.30 119.60 2dmc s MET 102 Ca 0.11 -0.54 0.02 0.00 -1.25 0.00 0.00 55.69 54.03 2dmc s MET 102 Cb -0.10 -3.18 -0.02 0.00 1.25 0.00 0.00 34.83 32.78 2dmc s MET 102 CO 0.02 -0.18 -0.16 0.08 1.05 0.00 0.00 175.02 175.83 2dmc s VAL 103 N 1.52 2.80 -0.03 10.11 1.01 0.54 -4.48 120.40 131.86 2dmc s VAL 103 Ca 0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 2dmc s VAL 103 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.13 2dmc s VAL 103 CO 0.01 0.56 0.08 0.68 0.00 0.00 0.00 175.10 176.43 2dmc s VAL 104 N -0.07 -0.02 -0.74 2.92 -7.23 -1.26 0.30 120.40 114.31 2dmc s VAL 104 Ca -0.03 0.06 -0.24 0.00 -1.81 0.00 0.00 61.98 59.96 2dmc s VAL 104 Cb -0.14 -0.14 0.06 0.00 0.56 0.00 0.00 36.38 36.73 2dmc s VAL 104 CO 0.04 0.02 1.12 0.00 -0.31 0.00 0.00 175.10 175.97 2dmc s GLN 105 N 0.38 3.22 -0.56 4.82 -2.07 -1.26 -4.20 119.66 119.99 2dmc s GLN 105 Ca -0.03 -0.78 -0.27 0.00 -1.82 0.00 0.00 55.36 52.47 2dmc s GLN 105 Cb -0.04 -4.38 -0.09 0.00 -1.09 0.00 0.00 33.01 27.40 2dmc s GLN 105 CO -0.01 -1.95 2.46 0.45 -1.32 0.00 0.00 175.29 174.92 2dmc n SER 106 N 8.19 2.01 -4.57 12.60 2.88 -1.26 -4.85 113.62 128.63 2dmc n SER 106 Ca 0.04 -0.38 -0.37 0.00 -1.33 0.00 0.00 58.87 56.83 2dmc n SER 106 Cb 0.47 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.42 2dmc n SER 106 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2dmc s GLU 107 N 8.35 3.33 0.55 -1.46 2.56 -1.26 -4.80 118.70 125.97 2dmc s GLU 107 Ca 1.04 -1.14 0.31 0.00 0.00 0.00 0.00 54.97 55.18 2dmc s GLU 107 Cb -0.36 -5.32 1.47 0.00 2.00 0.00 0.00 34.13 31.92 2dmc s GLU 107 CO 0.30 -2.68 1.88 -0.84 -0.56 0.00 0.00 175.26 173.35 2dmc h ILE 108 N 6.55 0.50 0.00 -3.70 -2.65 -2.01 -3.42 117.51 112.78 2dmc h ILE 108 Ca 0.24 0.00 0.00 0.00 1.03 0.00 0.00 64.86 66.13 2dmc h ILE 108 Cb 0.97 0.55 0.00 0.00 -2.05 0.00 0.00 36.82 36.29 2dmc h ILE 108 CO 1.36 0.00 0.00 0.61 0.03 0.00 0.00 178.15 180.15 2dmc n GLY 109 N -1.67 4.66 3.99 0.16 0.00 -1.26 -4.96 105.19 106.10 2dmc n GLY 109 Ca 0.17 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 2dmc n GLY 109 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dmc s ASP 110 N 1.00 5.59 -0.04 1.61 -4.77 -1.26 -5.07 116.67 113.73 2dmc s ASP 110 Ca 0.00 -0.45 -0.03 0.00 -3.30 0.00 0.00 52.55 48.76 2dmc s ASP 110 Cb 0.00 -0.69 -0.02 0.00 -1.09 0.00 0.00 42.92 41.12 2dmc s ASP 110 CO 0.00 -0.72 -0.08 -0.24 0.70 0.00 0.00 175.17 174.83 2dmc n SER 111 N -1.79 0.63 -2.82 2.11 2.88 -1.26 -4.95 113.62 108.43 2dmc n SER 111 Ca 0.07 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2dmc n SER 111 Cb 0.59 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2dmc n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmc n GLY 112 N 2.71 -1.53 0.22 0.46 0.00 -1.26 -4.72 105.19 101.07 2dmc n GLY 112 Ca -0.10 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 2dmc n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmc h PRO 113 N 0.00 0.75 -4.25 1.61 0.13 -2.07 -3.44 132.00 124.73 2dmc h PRO 113 Ca 0.00 -0.40 -0.52 0.00 -0.87 0.00 0.00 66.00 64.21 2dmc h PRO 113 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.11 2dmc h PRO 113 CO 0.00 1.02 1.04 0.45 -0.23 0.00 0.00 178.00 180.28 2dmc n SER 114 N -4.22 0.48 -4.95 1.44 2.88 -1.26 -4.88 113.62 103.10 2dmc n SER 114 Ca -0.03 0.42 -0.24 0.00 -1.33 0.00 0.00 58.87 57.69 2dmc n SER 114 Cb 0.49 -0.66 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 2dmc n SER 114 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmc s SER 115 N 4.87 6.33 0.00 -3.46 0.01 -1.26 -4.86 113.70 115.33 2dmc s SER 115 Ca 0.91 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.31 2dmc s SER 115 Cb -1.06 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 63.27 2dmc s SER 115 CO 0.46 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.71