#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmc h SER 2 N 0.00 0.50 -4.37 1.61 4.64 -2.12 -3.44 113.55 110.38 2dmc h SER 2 Ca 0.00 -0.20 -0.50 0.00 -0.47 0.00 0.00 61.79 60.61 2dmc h SER 2 Cb 0.00 -0.13 0.08 0.00 -0.31 0.00 0.00 62.40 62.04 2dmc h SER 2 CO 0.00 0.57 0.39 -0.44 -0.87 0.00 0.00 176.83 176.48 2dmc s SER 3 N -5.86 5.55 1.03 4.97 0.01 -1.26 -5.07 113.70 113.07 2dmc s SER 3 Ca -0.13 1.40 -0.07 0.00 1.31 0.00 0.00 55.95 58.46 2dmc s SER 3 Cb 0.09 -2.30 0.10 0.00 0.21 0.00 0.00 66.02 64.12 2dmc s SER 3 CO 0.75 -1.31 0.52 0.61 0.41 0.00 0.00 173.24 174.22 2dmc n GLY 4 N -2.48 -1.63 3.84 3.44 0.00 -1.26 -5.09 105.19 102.02 2dmc n GLY 4 Ca 0.07 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 2dmc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmc s SER 5 N -2.91 5.28 -0.20 1.61 1.04 -1.26 -5.14 113.70 112.12 2dmc s SER 5 Ca 0.30 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 55.98 2dmc s SER 5 Cb -0.01 -1.01 0.09 0.00 0.10 0.00 0.00 66.02 65.19 2dmc s SER 5 CO 0.22 -0.31 0.84 -0.44 0.98 0.00 0.00 173.24 174.53 2dmc s SER 6 N -3.97 -0.58 0.02 7.02 0.01 -1.26 -5.18 113.70 109.76 2dmc s SER 6 Ca 0.40 0.95 -0.15 0.00 1.31 0.00 0.00 55.95 58.45 2dmc s SER 6 Cb -0.06 0.90 0.02 0.00 0.21 0.00 0.00 66.02 67.10 2dmc s SER 6 CO 0.26 -0.32 0.33 -0.83 0.41 0.00 0.00 173.24 173.09 2dmc s GLY 7 N -0.27 -0.16 0.53 3.44 0.00 -1.26 -5.14 107.32 104.45 2dmc s GLY 7 Ca -0.02 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.70 2dmc s GLY 7 CO 0.01 -0.04 0.32 0.29 0.00 0.00 0.00 173.10 173.68 2dmc n ILE 8 N 0.81 1.47 -1.08 0.90 -5.35 -1.26 -4.96 119.36 109.89 2dmc n ILE 8 Ca -0.20 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.48 2dmc n ILE 8 Cb 0.58 -0.44 0.24 0.00 -1.74 0.00 0.00 39.64 38.29 2dmc n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2dmc s PRO 9 N -1.66 -1.28 0.00 6.28 0.04 -1.26 -5.08 135.00 132.04 2dmc s PRO 9 Ca 0.64 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2dmc s PRO 9 Cb -0.49 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2dmc s PRO 9 CO 0.59 -3.75 0.00 0.41 0.04 0.00 0.00 177.00 174.29 2dmc n GLY 10 N -0.94 4.56 3.18 0.56 0.00 -1.26 -5.17 105.19 106.12 2dmc n GLY 10 Ca 0.13 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2dmc n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmc s SER 11 N 1.53 2.01 0.50 1.61 0.15 -1.26 -5.03 113.70 113.21 2dmc s SER 11 Ca 0.00 -0.43 0.32 0.00 0.70 0.00 0.00 55.95 56.55 2dmc s SER 11 Cb 0.00 -0.17 1.33 0.00 -1.71 0.00 0.00 66.02 65.47 2dmc s SER 11 CO 0.00 0.13 1.94 1.55 1.20 0.00 0.00 173.24 178.06 2dmc h PRO 12 N 5.17 0.00 -4.54 5.44 0.13 -2.05 -3.39 132.00 132.77 2dmc h PRO 12 Ca -0.39 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.04 2dmc h PRO 12 Cb 1.16 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.98 2dmc h PRO 12 CO 0.45 0.00 -0.55 -0.59 -0.23 0.00 0.00 178.00 177.08 2dmc s PHE 13 N -3.62 3.41 -0.21 1.56 -0.12 -1.26 -5.05 117.98 112.70 2dmc s PHE 13 Ca 0.01 -1.91 -0.03 0.00 -0.05 0.00 0.00 56.93 54.96 2dmc s PHE 13 Cb 0.09 -2.85 0.07 0.00 -0.63 0.00 0.00 43.02 39.69 2dmc s PHE 13 CO 0.50 -0.88 0.06 0.99 -0.05 0.00 0.00 175.22 175.84 2dmc s THR 14 N 1.29 0.44 0.70 -4.49 2.01 -1.26 -5.14 115.64 109.19 2dmc s THR 14 Ca 0.03 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 2dmc s THR 14 Cb -0.22 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.27 2dmc s THR 14 CO -0.01 -0.31 1.11 0.00 -0.69 0.00 0.00 174.62 174.73 2dmc s ALA 15 N 1.89 2.35 0.40 7.40 0.00 -1.26 -5.05 121.76 127.49 2dmc s ALA 15 Ca 0.01 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.50 2dmc s ALA 15 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2dmc s ALA 15 CO -0.12 -1.50 0.59 -1.59 0.00 0.00 0.00 175.76 173.14 2dmc s LYS 16 N -4.30 3.11 -0.13 0.00 -2.85 -1.26 -5.11 119.74 109.20 2dmc s LYS 16 Ca 0.66 -0.67 0.01 0.00 -1.00 0.00 0.00 55.97 54.97 2dmc s LYS 16 Cb -0.20 -2.66 -0.00 0.00 -2.06 0.00 0.00 37.83 32.90 2dmc s LYS 16 CO 0.46 -0.12 -0.17 0.42 0.10 0.00 0.00 175.35 176.04 2dmc s ILE 17 N -2.40 2.57 0.49 3.79 1.01 -1.26 -5.10 121.20 120.31 2dmc s ILE 17 Ca 0.46 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 2dmc s ILE 17 Cb -0.10 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 2dmc s ILE 17 CO 0.35 0.53 0.84 1.07 0.00 0.00 0.00 174.94 177.73 2dmc n THR 18 N 3.78 2.62 -3.65 2.92 5.66 -1.26 -5.00 114.28 119.35 2dmc n THR 18 Ca -0.19 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.23 2dmc n THR 18 Cb 0.52 -0.98 -0.02 0.00 -1.55 0.00 0.00 70.33 68.31 2dmc n THR 18 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2dmc s ASP 19 N -0.98 -0.34 0.24 1.09 1.47 -1.26 -5.18 116.67 111.71 2dmc s ASP 19 Ca 0.67 -0.28 0.05 0.00 1.18 0.00 0.00 52.55 54.17 2dmc s ASP 19 Cb -0.51 0.57 -0.03 0.00 -0.34 0.00 0.00 42.92 42.62 2dmc s ASP 19 CO 0.54 -1.00 0.33 -1.81 0.68 0.00 0.00 175.17 173.91 2dmc s ASP 20 N -2.80 6.19 -0.24 2.11 1.01 -1.26 -5.00 116.67 116.68 2dmc s ASP 20 Ca 0.07 0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.38 2dmc s ASP 20 Cb -0.03 -1.78 0.38 0.00 1.01 0.00 0.00 42.92 42.50 2dmc s ASP 20 CO -0.03 -0.07 1.47 -0.24 0.21 0.00 0.00 175.17 176.52 2dmc n SER 21 N -1.37 3.44 -0.08 0.27 2.88 -1.26 -4.26 113.62 113.24 2dmc n SER 21 Ca -0.09 -2.85 -0.10 0.00 -1.33 0.00 0.00 58.87 54.50 2dmc n SER 21 Cb 0.57 -0.68 -0.05 0.00 -0.75 0.00 0.00 64.21 63.30 2dmc n SER 21 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dmc h ARG 22 N 0.75 0.00 -6.78 -1.46 2.47 -2.07 -3.48 114.38 103.80 2dmc h ARG 22 Ca 0.31 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.59 2dmc h ARG 22 Cb 1.96 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 30.32 2dmc h ARG 22 CO 0.57 0.36 -0.06 1.03 0.56 0.00 0.00 179.97 182.43 2dmc s ARG 23 N -2.24 2.70 0.37 0.04 0.52 -1.26 -5.05 118.95 114.03 2dmc s ARG 23 Ca -0.19 -0.72 -0.28 0.00 -0.52 0.00 0.00 55.73 54.02 2dmc s ARG 23 Cb 0.03 -2.52 -0.11 0.00 0.52 0.00 0.00 34.95 32.87 2dmc s ARG 23 CO 0.34 -0.57 1.47 0.00 0.02 0.00 0.00 175.30 176.57 2dmc s SER 25 N -0.14 7.02 -0.26 0.00 0.01 -1.26 -5.06 113.70 114.01 2dmc s SER 25 Ca 0.53 1.21 -0.11 0.00 1.31 0.00 0.00 55.95 58.89 2dmc s SER 25 Cb -0.46 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.35 2dmc s SER 25 CO 0.61 0.15 0.20 -1.10 0.41 0.00 0.00 173.24 173.51 2dmc s GLN 26 N -0.45 4.01 0.10 12.44 -0.21 -1.26 -4.36 119.66 129.93 2dmc s GLN 26 Ca 0.31 -0.25 0.10 0.00 0.02 0.00 0.00 55.36 55.54 2dmc s GLN 26 Cb -0.19 -3.61 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 2dmc s GLN 26 CO 0.18 -0.09 -0.23 0.08 -2.12 0.00 0.00 175.29 173.11 2dmc s VAL 27 N 1.51 2.51 -0.61 1.09 1.01 -1.24 -4.98 120.40 119.69 2dmc s VAL 27 Ca 0.08 -1.55 -0.26 0.00 0.00 0.00 0.00 61.98 60.25 2dmc s VAL 27 Cb -0.15 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.16 2dmc s VAL 27 CO 0.08 0.16 1.10 -0.54 0.00 0.00 0.00 175.10 175.90 2dmc s LYS 28 N -1.91 3.34 0.03 2.72 -0.14 -1.26 -3.70 119.74 118.82 2dmc s LYS 28 Ca 0.15 -0.16 -0.31 0.00 -1.36 0.00 0.00 55.97 54.29 2dmc s LYS 28 Cb -0.10 -4.09 -0.10 0.00 -1.68 0.00 0.00 37.83 31.86 2dmc s LYS 28 CO 0.07 -1.73 1.92 -0.11 -0.76 0.00 0.00 175.35 174.74 2dmc n LEU 29 N 8.20 3.95 0.00 3.17 7.94 -1.26 -1.46 117.00 137.54 2dmc n LEU 29 Ca 0.04 0.94 0.00 0.00 -1.11 0.00 0.00 56.01 55.88 2dmc n LEU 29 Cb 0.48 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.94 2dmc n LEU 29 CO 0.68 0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.69 2dmc n GLY 30 N 4.43 0.75 2.91 -3.96 0.00 -0.65 -5.03 105.19 103.63 2dmc n GLY 30 Ca 0.20 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.33 0.50 -0.35 1.61 0.01 -0.54 -5.01 113.70 107.59 2dmc s SER 31 Ca 0.00 0.43 -0.39 0.00 1.31 0.00 0.00 55.95 57.30 2dmc s SER 31 Cb 0.00 0.42 -0.15 0.00 0.21 0.00 0.00 66.02 66.50 2dmc s SER 31 CO 0.00 -0.23 1.94 0.00 0.41 0.00 0.00 173.24 175.36 2dmc n ALA 32 N 5.19 0.24 -2.74 1.44 0.00 -1.26 -4.64 120.51 118.75 2dmc n ALA 32 Ca -0.08 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.27 2dmc n ALA 32 Cb 0.50 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 17.49 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 5.12 2.11 0.57 0.00 0.00 -1.06 -4.95 121.76 123.55 2dmc s ALA 33 Ca 1.06 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 2dmc s ALA 33 Cb -1.09 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 2dmc s ALA 33 CO 0.61 0.41 1.05 -0.51 0.00 0.00 0.00 175.76 177.32 2dmc s ASP 34 N -0.16 5.95 -0.05 0.00 1.01 -1.26 -3.95 116.67 118.21 2dmc s ASP 34 Ca -0.03 1.80 -0.01 0.00 0.71 0.00 0.00 52.55 55.02 2dmc s ASP 34 Cb -0.13 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.29 2dmc s ASP 34 CO 0.03 -1.05 0.02 -0.36 0.21 0.00 0.00 175.17 174.02 2dmc s PHE 35 N -2.41 0.34 -0.32 4.23 0.40 -1.07 -4.98 117.98 114.16 2dmc s PHE 35 Ca 0.64 0.04 -0.21 0.00 -0.60 0.00 0.00 56.93 56.79 2dmc s PHE 35 Cb -0.15 -0.57 -0.00 0.00 0.51 0.00 0.00 43.02 42.80 2dmc s PHE 35 CO 0.34 -0.22 0.67 -1.17 0.70 0.00 0.00 175.22 175.54 2dmc s LEU 36 N 1.78 4.16 0.04 -0.37 2.96 -1.26 -2.96 118.68 123.03 2dmc s LEU 36 Ca 0.01 0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 2dmc s LEU 36 Cb -0.13 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 2dmc s LEU 36 CO -0.03 -0.55 -0.20 -1.48 -1.32 0.00 0.00 176.35 172.76 2dmc s LEU 37 N 2.74 2.17 -0.71 -0.68 2.34 -1.25 -5.07 118.68 118.21 2dmc s LEU 37 Ca 0.27 -0.52 -0.19 0.00 0.06 0.00 0.00 54.13 53.75 2dmc s LEU 37 Cb -0.15 -0.95 0.11 0.00 -0.56 0.00 0.00 46.19 44.65 2dmc s LEU 37 CO 0.13 0.15 0.88 1.51 -1.06 0.00 0.00 176.35 177.96 2dmc s ASP 38 N -1.18 6.34 -0.14 1.48 1.47 -1.26 -4.78 116.67 118.59 2dmc s ASP 38 Ca 0.07 -1.58 0.02 0.00 1.18 0.00 0.00 52.55 52.24 2dmc s ASP 38 Cb -0.09 -2.35 0.00 0.00 -0.34 0.00 0.00 42.92 40.15 2dmc s ASP 38 CO 0.02 -1.14 -0.20 0.27 0.68 0.00 0.00 175.17 174.79 2dmc s ILE 39 N 2.84 2.26 -0.91 2.11 -4.36 -1.26 -4.85 121.20 117.02 2dmc s ILE 39 Ca 0.20 -0.92 0.07 0.00 -0.26 0.00 0.00 60.65 59.74 2dmc s ILE 39 Cb -0.16 -1.91 0.06 0.00 1.25 0.00 0.00 42.46 41.70 2dmc s ILE 39 CO 0.02 0.54 1.21 -1.20 0.24 0.00 0.00 174.94 175.75 2dmc n SER 40 N 3.96 0.07 -4.56 4.36 7.64 -1.26 -4.48 113.62 119.34 2dmc n SER 40 Ca -0.20 0.53 -0.36 0.00 1.01 0.00 0.00 58.87 59.86 2dmc n SER 40 Cb 0.52 -0.54 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 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 -3.06 3.85 -0.11 1.43 0.41 -1.26 -5.01 118.70 114.96 2dmc s GLU 41 Ca 0.02 -0.39 -0.07 0.00 -0.41 0.00 0.00 54.97 54.12 2dmc s GLU 41 Cb 0.03 -3.29 -0.02 0.00 -1.78 0.00 0.00 34.13 29.07 2dmc s GLU 41 CO 0.10 0.07 -0.14 1.79 -0.49 0.00 0.00 175.26 176.59 2dmc h THR 42 N 5.16 0.00 -0.35 3.63 1.35 -2.04 -3.46 112.91 117.20 2dmc h THR 42 Ca -0.37 -0.83 -0.66 0.00 -0.55 0.00 0.00 66.41 64.00 2dmc h THR 42 Cb 1.17 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.55 2dmc h THR 42 CO 0.64 0.00 1.48 -0.90 -0.25 0.00 0.00 175.52 176.49 2dmc n ASP 43 N -4.23 1.05 -0.03 5.36 5.68 -1.26 -4.80 116.55 118.31 2dmc n ASP 43 Ca -0.05 0.41 -0.14 0.00 -0.50 0.00 0.00 54.79 54.51 2dmc n ASP 43 Cb 0.20 -1.03 -0.10 0.00 -1.14 0.00 0.00 41.12 39.05 2dmc n ASP 43 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2dmc h LEU 44 N 11.23 0.23 -0.61 -2.12 4.07 -1.90 -3.25 115.31 122.96 2dmc h LEU 44 Ca -0.14 -0.66 0.07 0.00 0.08 0.00 0.00 57.88 57.24 2dmc h LEU 44 Cb 1.36 -0.07 -0.10 0.00 1.08 0.00 0.00 40.66 42.93 2dmc h LEU 44 CO 1.16 0.85 -0.55 0.28 -1.08 0.00 0.00 178.44 179.09 2dmc h SER 45 N -0.37 -1.89 -0.19 -0.43 0.02 -1.92 1.02 113.55 109.78 2dmc h SER 45 Ca -0.01 0.27 0.05 0.00 -0.84 0.00 0.00 61.79 61.26 2dmc h SER 45 Cb 0.84 0.81 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 2dmc h SER 45 CO 0.04 -0.34 0.36 0.28 -1.14 0.00 0.00 176.83 176.02 2dmc h SER 46 N -0.26 0.00 -2.33 3.07 0.02 -1.97 -3.41 113.55 108.68 2dmc h SER 46 Ca 0.12 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.61 2dmc h SER 46 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2dmc h SER 46 CO -0.71 0.00 -0.30 -0.76 -1.14 0.00 0.00 176.83 173.91 2dmc s LEU 47 N -6.65 4.07 0.22 5.07 1.43 0.35 -3.57 118.68 119.61 2dmc s LEU 47 Ca -0.04 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 2dmc s LEU 47 Cb 0.12 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2dmc s LEU 47 CO 0.42 -0.29 0.07 -0.89 0.23 0.00 0.00 176.35 175.89 2dmc s THR 48 N -2.19 3.95 -0.07 5.49 2.01 0.17 -4.91 115.64 120.10 2dmc s THR 48 Ca 0.40 -1.51 -0.00 0.00 0.31 0.00 0.00 61.69 60.88 2dmc s THR 48 Cb -0.09 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.37 2dmc s THR 48 CO 0.32 -0.25 -0.03 0.00 -0.69 0.00 0.00 174.62 173.97 2dmc s ALA 49 N -2.02 0.81 -0.12 7.40 0.00 -1.26 -4.00 121.76 122.58 2dmc s ALA 49 Ca 0.31 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.98 2dmc s ALA 49 Cb -0.08 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2dmc s ALA 49 CO 0.21 -0.30 0.31 0.45 0.00 0.00 0.00 175.76 176.43 2dmc s SER 50 N 1.57 -0.32 -0.08 0.00 0.15 -1.05 -4.88 113.70 109.08 2dmc s SER 50 Ca -0.01 0.62 -0.06 0.00 0.70 0.00 0.00 55.95 57.20 2dmc s SER 50 Cb -0.13 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 2dmc s SER 50 CO -0.04 -0.11 0.20 -0.63 1.20 0.00 0.00 173.24 173.86 2dmc s ILE 51 N 0.23 -0.01 -0.14 6.45 1.01 -1.26 0.08 121.20 127.55 2dmc s ILE 51 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2dmc s ILE 51 Cb -0.03 -0.29 0.07 0.00 0.01 0.00 0.00 42.46 42.22 2dmc s ILE 51 CO -0.00 0.01 0.29 -0.75 0.00 0.00 0.00 174.94 174.49 2dmc s LYS 52 N 0.27 0.20 1.06 2.79 2.20 -1.24 -0.18 119.74 124.84 2dmc s LYS 52 Ca -0.01 0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 56.17 2dmc s LYS 52 Cb -0.03 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 2dmc s LYS 52 CO -0.01 -0.26 -0.37 0.00 -0.36 0.00 0.00 175.35 174.36 2dmc n ALA 53 N 5.14 -4.44 0.38 3.13 0.00 0.16 -4.18 120.51 120.69 2dmc n ALA 53 Ca -0.10 -1.17 0.13 0.00 0.00 0.00 0.00 53.44 52.29 2dmc n ALA 53 Cb 0.50 -1.36 0.52 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.67 0.00 -0.01 0.00 0.13 -1.88 -2.29 132.00 126.28 2dmc h PRO 54 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dmc h PRO 54 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2dmc h PRO 54 CO 0.33 0.00 -0.06 0.45 -0.23 0.00 0.00 178.00 178.48 2dmc n SER 55 N -2.36 1.04 0.00 1.44 2.88 -1.26 -4.90 113.62 110.47 2dmc n SER 55 Ca 0.02 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 2dmc n SER 55 Cb 0.23 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 1.19 0.73 3.46 0.46 0.00 -0.86 -5.06 105.19 105.12 2dmc n GLY 56 Ca 0.18 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.86 3.31 1.00 1.61 1.81 -1.25 -4.89 118.95 119.68 2dmc s ARG 57 Ca 0.00 -0.76 -0.11 0.00 -1.72 0.00 0.00 55.73 53.14 2dmc s ARG 57 Cb 0.00 -3.69 0.20 0.00 -0.45 0.00 0.00 34.95 31.00 2dmc s ARG 57 CO 0.00 -0.48 1.10 0.34 -0.68 0.00 0.00 175.30 175.58 2dmc s ASP 58 N 1.65 2.22 -0.01 0.23 2.15 -1.26 0.38 116.67 122.02 2dmc s ASP 58 Ca 0.05 1.94 -0.02 0.00 0.43 0.00 0.00 52.55 54.95 2dmc s ASP 58 Cb -0.18 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2dmc s ASP 58 CO 0.08 -3.50 0.04 -1.61 -0.17 0.00 0.00 175.17 170.01 2dmc s GLU 59 N -4.58 0.09 -0.81 4.34 0.41 0.75 -4.71 118.70 114.17 2dmc s GLU 59 Ca 0.67 -0.00 -0.25 0.00 -0.41 0.00 0.00 54.97 54.98 2dmc s GLU 59 Cb -0.23 0.04 -0.04 0.00 -1.78 0.00 0.00 34.13 32.11 2dmc s GLU 59 CO 0.60 -0.01 1.92 -1.25 -0.49 0.00 0.00 175.26 176.03 2dmc s PRO 60 N -0.13 2.58 0.04 0.39 0.04 -1.26 -4.29 135.00 132.37 2dmc s PRO 60 Ca -0.02 -0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.03 2dmc s PRO 60 Cb -0.01 -4.85 -0.04 0.00 0.04 0.00 0.00 34.50 29.63 2dmc s PRO 60 CO 0.00 -3.18 0.07 0.00 0.04 0.00 0.00 177.00 173.93 2dmc s LEU 62 N -2.06 0.08 -0.06 0.00 1.98 -0.44 -4.89 118.68 113.29 2dmc s LEU 62 Ca 0.26 0.35 -0.30 0.00 -2.89 0.00 0.00 54.13 51.55 2dmc s LEU 62 Cb -0.12 0.34 -0.02 0.00 0.66 0.00 0.00 46.19 47.05 2dmc s LEU 62 CO 0.18 -0.22 1.00 -0.76 -1.89 0.00 0.00 176.35 174.65 2dmc s LEU 63 N 2.05 4.29 0.31 -0.68 1.43 -1.26 -0.41 118.68 124.41 2dmc s LEU 63 Ca 0.00 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 2dmc s LEU 63 Cb -0.12 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 2dmc s LEU 63 CO -0.06 -0.38 0.35 -1.59 0.23 0.00 0.00 176.35 174.90 2dmc s LYS 64 N 1.63 1.72 0.06 1.70 -2.85 -0.79 -4.94 119.74 116.26 2dmc s LYS 64 Ca 0.50 -1.80 -0.12 0.00 -1.00 0.00 0.00 55.97 53.55 2dmc s LYS 64 Cb -0.19 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 2dmc s LYS 64 CO 0.22 -0.67 0.42 0.50 0.10 0.00 0.00 175.35 175.92 2dmc s ARG 65 N -3.44 3.84 0.16 1.78 6.06 -1.26 -2.54 118.95 123.55 2dmc s ARG 65 Ca 0.35 0.29 -0.02 0.00 -2.50 0.00 0.00 55.73 53.85 2dmc s ARG 65 Cb 0.02 -3.06 -0.05 0.00 0.06 0.00 0.00 34.95 31.92 2dmc s ARG 65 CO 0.21 0.59 0.35 -0.51 -2.50 0.00 0.00 175.30 173.44 2dmc s LEU 66 N -1.65 4.27 0.21 -0.88 1.43 0.21 -4.81 118.68 117.46 2dmc s LEU 66 Ca 0.31 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2dmc s LEU 66 Cb -0.15 -3.16 0.18 0.00 0.03 0.00 0.00 46.19 43.09 2dmc s LEU 66 CO 0.17 0.03 1.57 1.55 0.23 0.00 0.00 176.35 179.90 2dmc h PRO 67 N 2.44 0.59 -3.21 1.29 0.13 -1.99 -3.25 132.00 128.00 2dmc h PRO 67 Ca -0.47 -0.31 -0.48 0.00 -0.87 0.00 0.00 66.00 63.87 2dmc h PRO 67 Cb 1.18 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.34 2dmc h PRO 67 CO 0.71 0.90 2.99 0.09 -0.23 0.00 0.00 178.00 182.46 2dmc n ASN 68 N -4.02 6.42 -3.69 1.44 4.13 -1.26 -4.59 115.26 113.69 2dmc n ASN 68 Ca -0.02 -2.42 -0.28 0.00 1.68 0.00 0.00 54.58 53.54 2dmc n ASN 68 Cb 0.53 -1.28 -0.06 0.00 -1.54 0.00 0.00 39.78 37.43 2dmc n ASN 68 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2dmc n ASN 69 N 3.88 -0.75 -2.10 6.41 2.85 -1.25 -4.82 115.26 119.48 2dmc n ASN 69 Ca 0.58 -0.89 -0.09 0.00 -0.11 0.00 0.00 54.58 54.07 2dmc n ASN 69 Cb 0.19 -1.13 -0.03 0.00 1.24 0.00 0.00 39.78 40.05 2dmc n ASN 69 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2dmc n HIS 70 N -3.16 -0.65 -3.80 1.20 8.25 -1.23 -5.04 115.22 110.78 2dmc n HIS 70 Ca -0.00 -1.34 -0.13 0.00 -0.26 0.00 0.00 57.72 55.99 2dmc n HIS 70 Cb 0.37 0.21 -0.13 0.00 1.12 0.00 0.00 29.99 31.56 2dmc n HIS 70 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2dmc s ILE 71 N -2.67 -0.01 0.19 1.59 1.01 -1.26 0.65 121.20 120.69 2dmc s ILE 71 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2dmc s ILE 71 Cb 0.00 -0.21 -0.00 0.00 0.01 0.00 0.00 42.46 42.26 2dmc s ILE 71 CO 0.13 0.02 0.24 0.61 0.00 0.00 0.00 174.94 175.94 2dmc n GLY 72 N 3.37 2.78 3.63 6.18 0.00 -1.05 -3.90 105.19 116.19 2dmc n GLY 72 Ca -0.17 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.66 3.61 -0.25 -0.61 2.07 -1.15 -1.89 121.20 120.31 2dmc s ILE 73 Ca 0.17 -1.27 0.02 0.00 -1.41 0.00 0.00 60.65 58.16 2dmc s ILE 73 Cb -0.00 -2.74 0.06 0.00 0.13 0.00 0.00 42.46 39.91 2dmc s ILE 73 CO 0.12 0.04 -0.07 -0.44 -1.91 0.00 0.00 174.94 172.68 2dmc s SER 74 N -2.47 4.19 0.12 4.50 0.01 0.45 -2.60 113.70 117.90 2dmc s SER 74 Ca 0.24 -1.34 -0.03 0.00 1.31 0.00 0.00 55.95 56.13 2dmc s SER 74 Cb -0.11 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 2dmc s SER 74 CO 0.16 -0.22 0.10 0.72 0.41 0.00 0.00 173.24 174.41 2dmc s PHE 75 N 1.23 0.66 -0.37 2.43 -0.12 -1.25 -1.33 117.98 119.22 2dmc s PHE 75 Ca -0.06 -1.06 -0.05 0.00 -0.05 0.00 0.00 56.93 55.71 2dmc s PHE 75 Cb -0.19 -0.34 0.07 0.00 -0.63 0.00 0.00 43.02 41.93 2dmc s PHE 75 CO -0.06 -0.55 0.15 0.42 -0.05 0.00 0.00 175.22 175.14 2dmc s ILE 76 N -4.00 3.62 0.09 -4.49 1.01 -1.24 -2.57 121.20 113.63 2dmc s ILE 76 Ca 0.19 -1.50 -0.31 0.00 0.00 0.00 0.00 60.65 59.03 2dmc s ILE 76 Cb 0.06 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 2dmc s ILE 76 CO -0.01 -0.39 1.39 -2.16 0.00 0.00 0.00 174.94 173.76 2dmc s PRO 77 N 1.31 4.32 0.00 2.79 0.04 -1.26 -4.65 135.00 137.54 2dmc s PRO 77 Ca 0.02 2.04 0.20 0.00 0.04 0.00 0.00 61.00 63.30 2dmc s PRO 77 Cb -0.21 -3.33 -0.12 0.00 0.04 0.00 0.00 34.50 30.88 2dmc s PRO 77 CO -0.00 -0.46 0.92 0.54 0.04 0.00 0.00 177.00 178.04 2dmc n ARG 78 N 4.28 0.89 -4.26 4.56 3.00 -1.26 -1.64 116.66 122.23 2dmc n ARG 78 Ca 0.12 -0.44 -0.18 0.00 -0.01 0.00 0.00 57.85 57.33 2dmc n ARG 78 Cb 0.43 -1.43 -0.08 0.00 0.00 0.00 0.00 32.46 31.38 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 -2.61 1.69 -0.01 5.56 0.41 -1.26 -4.96 118.70 117.52 2dmc s GLU 79 Ca 0.12 -1.96 0.06 0.00 -0.41 0.00 0.00 54.97 52.78 2dmc s GLU 79 Cb 0.16 0.32 -0.02 0.00 -1.78 0.00 0.00 34.13 32.81 2dmc s GLU 79 CO 0.68 -0.62 -0.19 0.14 -0.49 0.00 0.00 175.26 174.78 2dmc s VAL 80 N -3.53 1.52 0.00 2.63 -7.23 -1.26 -4.78 120.40 107.75 2dmc s VAL 80 Ca 0.40 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2dmc s VAL 80 Cb 0.03 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.69 2dmc s VAL 80 CO 0.25 0.40 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 2dmc n GLY 81 N 2.51 0.19 3.22 2.32 0.00 0.84 -4.92 105.19 109.35 2dmc n GLY 81 Ca -0.15 -0.95 -0.40 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 -1.48 2.46 0.11 1.61 2.12 -1.26 -0.15 118.70 122.12 2dmc s GLU 82 Ca 0.00 -1.63 -0.16 0.00 0.36 0.00 0.00 54.97 53.54 2dmc s GLU 82 Cb 0.00 -3.79 -0.07 0.00 0.26 0.00 0.00 34.13 30.53 2dmc s GLU 82 CO 0.00 -1.06 0.54 -1.01 -0.54 0.00 0.00 175.26 173.19 2dmc s HIS 83 N 1.35 3.67 -0.20 5.30 3.76 0.66 -4.44 115.29 125.39 2dmc s HIS 83 Ca 0.05 1.11 -0.02 0.00 -0.15 0.00 0.00 55.06 56.05 2dmc s HIS 83 Cb -0.24 -2.40 -0.00 0.00 1.11 0.00 0.00 32.58 31.05 2dmc s HIS 83 CO -0.00 0.49 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.78 2dmc s LEU 84 N -1.65 2.66 -0.23 0.89 1.43 -1.26 -0.79 118.68 119.74 2dmc s LEU 84 Ca 0.34 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 2dmc s LEU 84 Cb -0.16 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2dmc s LEU 84 CO 0.19 -0.00 0.17 -0.69 0.23 0.00 0.00 176.35 176.24 2dmc s VAL 85 N 1.35 5.36 -0.50 -1.59 1.01 0.66 -3.69 120.40 123.01 2dmc s VAL 85 Ca 0.04 0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 2dmc s VAL 85 Cb -0.14 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.77 2dmc s VAL 85 CO -0.06 0.35 0.74 -0.44 0.00 0.00 0.00 175.10 175.70 2dmc s SER 86 N 0.96 6.31 -0.27 3.32 0.01 0.11 0.02 113.70 124.16 2dmc s SER 86 Ca 0.08 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.86 2dmc s SER 86 Cb -0.13 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.80 2dmc s SER 86 CO 0.04 -0.97 -0.07 -0.63 0.41 0.00 0.00 173.24 172.02 2dmc s ILE 87 N 3.15 2.42 0.33 1.44 -1.09 -1.26 -2.54 121.20 123.66 2dmc s ILE 87 Ca 0.23 -1.58 0.03 0.00 -2.23 0.00 0.00 60.65 57.11 2dmc s ILE 87 Cb -0.15 -2.42 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 2dmc s ILE 87 CO 0.17 -0.07 0.09 -0.54 -1.23 0.00 0.00 174.94 173.37 2dmc s LYS 88 N 1.14 1.68 -0.27 2.79 1.02 -1.26 -1.12 119.74 123.72 2dmc s LYS 88 Ca -0.07 -1.96 0.01 0.00 0.02 0.00 0.00 55.97 53.97 2dmc s LYS 88 Cb -0.20 -0.65 0.08 0.00 -0.52 0.00 0.00 37.83 36.54 2dmc s LYS 88 CO -0.04 -0.30 -0.01 0.21 -0.92 0.00 0.00 175.35 174.29 2dmc s LYS 89 N -3.87 1.47 -1.72 1.68 2.20 0.93 -0.65 119.74 119.78 2dmc s LYS 89 Ca 0.33 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 2dmc s LYS 89 Cb 0.07 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 2dmc s LYS 89 CO 0.15 -0.74 0.00 0.09 -0.36 0.00 0.00 175.35 174.49 2dmc n ASN 90 N 4.60 -5.58 0.00 1.43 3.02 -1.23 -1.73 115.26 115.77 2dmc n ASN 90 Ca -0.07 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2dmc n ASN 90 Cb 0.43 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 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 -0.97 0.85 2.80 7.41 0.00 -1.26 -5.06 105.19 108.97 2dmc n GLY 91 Ca -0.23 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 4.09 0.28 1.61 0.01 -0.70 -5.09 114.94 112.99 2dmc s ASN 92 Ca 0.00 -1.65 -0.17 0.00 -0.71 0.00 0.00 52.86 50.33 2dmc s ASN 92 Cb 0.00 -1.02 -0.12 0.00 0.41 0.00 0.00 41.25 40.52 2dmc s ASN 92 CO 0.00 -0.39 0.13 1.41 -1.51 0.00 0.00 177.10 176.74 2dmc n HIS 93 N 4.73 -1.38 -3.59 2.20 8.25 -1.26 -0.05 115.22 124.12 2dmc n HIS 93 Ca -0.02 0.52 -0.16 0.00 -0.26 0.00 0.00 57.72 57.80 2dmc n HIS 93 Cb 0.42 -1.38 0.01 0.00 1.12 0.00 0.00 29.99 30.17 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 -0.63 0.00 -2.26 1.59 0.24 -0.28 -4.60 118.33 112.39 2dmc n VAL 94 Ca 0.09 -1.36 -0.37 0.00 -2.04 0.00 0.00 64.34 60.66 2dmc n VAL 94 Cb 0.28 -0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 32.34 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 -2.49 2.94 -1.59 2.33 0.00 -1.26 -3.05 121.76 118.64 2dmc s ALA 95 Ca 0.24 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 53.12 2dmc s ALA 95 Cb -0.02 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2dmc s ALA 95 CO 0.15 -0.67 0.02 0.09 0.00 0.00 0.00 175.76 175.35 2dmc n ASN 96 N -0.58 -5.40 -4.06 0.00 3.02 -1.26 -4.84 115.26 102.14 2dmc n ASN 96 Ca 0.08 -0.02 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 2dmc n ASN 96 Cb 0.48 -4.45 -0.14 0.00 -0.61 0.00 0.00 39.78 35.07 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 -2.18 1.20 0.80 6.41 0.15 -1.17 -3.61 113.70 115.30 2dmc s SER 97 Ca 0.01 -0.27 -0.11 0.00 0.70 0.00 0.00 55.95 56.28 2dmc s SER 97 Cb -0.00 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.27 2dmc s SER 97 CO 0.01 0.07 1.09 -2.16 1.20 0.00 0.00 173.24 173.45 2dmc s PRO 98 N -0.55 2.05 0.04 5.44 0.04 -1.26 -4.79 135.00 135.97 2dmc s PRO 98 Ca 0.02 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 2dmc s PRO 98 Cb -0.05 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2dmc s PRO 98 CO 0.00 -1.76 0.57 0.08 0.04 0.00 0.00 177.00 175.93 2dmc s VAL 99 N -2.91 4.81 -0.38 -0.36 1.01 0.10 -4.80 120.40 117.87 2dmc s VAL 99 Ca 0.62 1.21 -0.12 0.00 0.00 0.00 0.00 61.98 63.68 2dmc s VAL 99 Cb -0.17 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.33 2dmc s VAL 99 CO 0.56 0.51 0.24 -0.94 0.00 0.00 0.00 175.10 175.47 2dmc s SER 100 N -0.77 5.87 0.04 3.32 1.04 -1.26 -0.24 113.70 121.70 2dmc s SER 100 Ca 0.29 -0.90 0.04 0.00 0.48 0.00 0.00 55.95 55.86 2dmc s SER 100 Cb -0.19 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 2dmc s SER 100 CO 0.18 -0.39 -0.06 -0.63 0.98 0.00 0.00 173.24 173.32 2dmc s ILE 101 N 1.61 3.68 -0.26 -1.02 1.01 0.03 -4.96 121.20 121.31 2dmc s ILE 101 Ca 0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 2dmc s ILE 101 Cb -0.19 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2dmc s ILE 101 CO 0.08 0.27 0.01 -0.32 0.00 0.00 0.00 174.94 174.99 2dmc s MET 102 N -1.78 3.20 -0.06 2.79 -2.45 -1.26 -0.25 119.30 119.49 2dmc s MET 102 Ca 0.20 -0.76 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 2dmc s MET 102 Cb -0.11 -3.17 -0.03 0.00 1.25 0.00 0.00 34.83 32.76 2dmc s MET 102 CO 0.11 -0.32 -0.03 0.08 1.05 0.00 0.00 175.02 175.90 2dmc s VAL 103 N 1.47 3.99 -0.08 10.11 1.01 0.78 -4.39 120.40 133.29 2dmc s VAL 103 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 2dmc s VAL 103 Cb -0.16 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.58 2dmc s VAL 103 CO -0.01 0.56 0.37 0.68 0.00 0.00 0.00 175.10 176.70 2dmc s VAL 104 N -0.89 0.03 -0.61 2.92 -7.23 -1.26 -0.11 120.40 113.24 2dmc s VAL 104 Ca 0.14 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 59.84 2dmc s VAL 104 Cb -0.11 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 2dmc s VAL 104 CO 0.03 -0.11 2.13 -1.10 -0.31 0.00 0.00 175.10 175.74 2dmc s GLN 105 N -0.54 2.32 0.05 4.82 -0.21 -1.26 -3.66 119.66 121.18 2dmc s GLN 105 Ca -0.07 0.82 -0.18 0.00 0.02 0.00 0.00 55.36 55.95 2dmc s GLN 105 Cb -0.04 -4.57 -0.08 0.00 1.00 0.00 0.00 33.01 29.32 2dmc s GLN 105 CO 0.03 -3.17 1.29 0.77 -2.12 0.00 0.00 175.29 172.09 2dmc h SER 106 N 16.23 -0.79 -3.63 5.90 0.02 -1.95 -3.47 113.55 125.87 2dmc h SER 106 Ca -0.19 0.08 -0.22 0.00 -0.84 0.00 0.00 61.79 60.61 2dmc h SER 106 Cb 1.17 0.28 0.07 0.00 0.14 0.00 0.00 62.40 64.07 2dmc h SER 106 CO 1.18 -0.32 -0.37 1.21 -1.14 0.00 0.00 176.83 177.38 2dmc n GLU 107 N -4.01 -4.33 -4.05 3.45 4.07 -1.26 -5.02 120.64 109.49 2dmc n GLU 107 Ca -0.05 0.46 -0.34 0.00 -0.06 0.00 0.00 57.16 57.17 2dmc n GLU 107 Cb 0.23 -4.39 -0.15 0.00 -0.06 0.00 0.00 31.44 27.07 2dmc n GLU 107 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2dmc s ILE 108 N -3.16 2.51 -0.18 6.31 -1.09 -1.26 -5.09 121.20 119.24 2dmc s ILE 108 Ca 0.32 -0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 57.90 2dmc s ILE 108 Cb -0.14 -2.09 0.09 0.00 -1.58 0.00 0.00 42.46 38.74 2dmc s ILE 108 CO 0.39 0.50 0.34 -0.83 -1.23 0.00 0.00 174.94 174.11 2dmc s GLY 109 N 1.35 -0.25 -0.68 6.18 0.00 -1.26 -5.11 107.32 107.56 2dmc s GLY 109 Ca 0.05 1.05 -0.25 0.00 0.00 0.00 0.00 44.72 45.57 2dmc s GLY 109 CO -0.10 2.28 1.13 -0.35 0.00 0.00 0.00 173.10 176.06 2dmc s ASP 110 N 2.50 6.21 -0.58 1.64 2.15 -1.26 -4.97 116.67 122.36 2dmc s ASP 110 Ca 0.03 -0.58 -0.27 0.00 0.43 0.00 0.00 52.55 52.16 2dmc s ASP 110 Cb -0.13 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 2dmc s ASP 110 CO -0.12 -1.61 1.76 -0.94 -0.17 0.00 0.00 175.17 174.09 2dmc s SER 111 N 3.56 5.52 -0.38 -0.34 1.04 -1.26 -4.78 113.70 117.06 2dmc s SER 111 Ca 0.31 0.41 -0.01 0.00 0.48 0.00 0.00 55.95 57.13 2dmc s SER 111 Cb -0.11 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.71 2dmc s SER 111 CO 0.15 -2.17 1.07 0.61 0.98 0.00 0.00 173.24 173.89 2dmc n GLY 112 N 5.58 -1.30 3.69 7.32 0.00 -1.26 -5.14 105.19 114.09 2dmc n GLY 112 Ca 0.19 0.89 -0.42 0.00 0.00 0.00 0.00 46.02 46.67 2dmc n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmc s PRO 113 N 0.58 4.28 -1.04 1.61 0.04 -1.26 -4.97 135.00 134.23 2dmc s PRO 113 Ca 0.27 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.26 2dmc s PRO 113 Cb 0.16 -3.53 0.26 0.00 0.04 0.00 0.00 34.50 31.43 2dmc s PRO 113 CO -0.11 -0.57 1.01 -1.54 0.04 0.00 0.00 177.00 175.82 2dmc s SER 114 N 1.83 6.94 -0.18 6.66 1.04 -1.26 -5.03 113.70 123.71 2dmc s SER 114 Ca 0.65 -3.59 -0.29 0.00 0.48 0.00 0.00 55.95 53.20 2dmc s SER 114 Cb -0.33 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 63.66 2dmc s SER 114 CO 0.28 -0.27 1.12 -0.55 0.98 0.00 0.00 173.24 174.79 2dmc s SER 115 N 0.97 7.07 0.00 7.02 0.15 -1.26 -5.37 113.70 122.28 2dmc s SER 115 Ca 0.29 1.54 0.05 0.00 0.70 0.00 0.00 55.95 58.53 2dmc s SER 115 Cb -0.09 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2dmc s SER 115 CO -0.09 -0.66 0.67 0.61 1.20 0.00 0.00 173.24 174.97