#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 6.36 0.06 1.61 1.04 -1.26 -4.98 113.70 116.53 2dmc s SER 2 Ca 0.00 1.74 -0.25 0.00 0.48 0.00 0.00 55.95 57.92 2dmc s SER 2 Cb 0.00 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 2dmc s SER 2 CO 0.00 -1.25 0.77 -0.94 0.98 0.00 0.00 173.24 172.79 2dmc s SER 3 N 4.37 7.23 0.00 7.02 1.04 -1.26 -5.03 113.70 127.06 2dmc s SER 3 Ca 0.74 1.47 0.00 0.00 0.48 0.00 0.00 55.95 58.64 2dmc s SER 3 Cb -0.27 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2dmc s SER 3 CO 0.30 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2dmc n GLY 4 N 2.31 1.48 3.72 7.32 0.00 -1.26 -5.11 105.19 113.65 2dmc n GLY 4 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.00 -0.06 -0.30 1.61 0.01 -1.26 -5.14 113.70 107.56 2dmc s SER 5 Ca 0.00 -0.88 0.03 0.00 1.31 0.00 0.00 55.95 56.40 2dmc s SER 5 Cb 0.00 0.69 0.08 0.00 0.21 0.00 0.00 66.02 67.00 2dmc s SER 5 CO 0.00 -1.32 -0.00 -0.55 0.41 0.00 0.00 173.24 171.78 2dmc s SER 6 N -3.01 4.42 -0.26 2.44 0.15 -1.26 -5.07 113.70 111.12 2dmc s SER 6 Ca 0.18 -1.72 -0.05 0.00 0.70 0.00 0.00 55.95 55.05 2dmc s SER 6 Cb -0.03 -1.43 0.13 0.00 -1.71 0.00 0.00 66.02 62.98 2dmc s SER 6 CO 0.10 -0.31 0.52 -0.83 1.20 0.00 0.00 173.24 173.92 2dmc s GLY 7 N 1.13 -0.63 0.33 9.45 0.00 -1.26 -5.15 107.32 111.18 2dmc s GLY 7 Ca 0.03 1.70 -0.26 0.00 0.00 0.00 0.00 44.72 46.19 2dmc s GLY 7 CO -0.09 2.88 0.96 -0.26 0.00 0.00 0.00 173.10 176.59 2dmc s ILE 8 N 2.74 4.14 0.26 0.90 -4.36 -1.26 -5.02 121.20 118.60 2dmc s ILE 8 Ca 0.06 1.78 -0.29 0.00 -0.26 0.00 0.00 60.65 61.93 2dmc s ILE 8 Cb -0.13 -3.99 -0.09 0.00 1.25 0.00 0.00 42.46 39.49 2dmc s ILE 8 CO -0.17 0.15 1.26 -2.16 0.24 0.00 0.00 174.94 174.26 2dmc s PRO 9 N -2.04 4.43 0.33 0.37 0.04 -1.26 -4.84 135.00 132.03 2dmc s PRO 9 Ca 0.50 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2dmc s PRO 9 Cb -0.20 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2dmc s PRO 9 CO 0.25 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.57 2dmc n GLY 10 N 1.58 -0.78 3.77 0.56 0.00 -1.26 -4.70 105.19 104.36 2dmc n GLY 10 Ca 0.02 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 2dmc n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmc s SER 11 N -3.91 5.65 0.41 1.61 1.04 -1.26 -4.94 113.70 112.30 2dmc s SER 11 Ca 0.00 2.24 0.20 0.00 0.48 0.00 0.00 55.95 58.87 2dmc s SER 11 Cb 0.00 -2.59 0.88 0.00 0.10 0.00 0.00 66.02 64.41 2dmc s SER 11 CO 0.00 -1.27 1.83 1.55 0.98 0.00 0.00 173.24 176.33 2dmc h PRO 12 N 1.22 0.00 -6.83 4.02 0.13 -1.95 -3.44 132.00 125.16 2dmc h PRO 12 Ca -0.50 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.13 2dmc h PRO 12 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2dmc h PRO 12 CO 0.57 0.31 0.45 -0.06 -0.23 0.00 0.00 178.00 179.04 2dmc s PHE 13 N -3.84 3.55 0.04 1.56 0.08 -1.26 -5.04 117.98 113.07 2dmc s PHE 13 Ca -0.01 1.71 -0.27 0.00 0.12 0.00 0.00 56.93 58.47 2dmc s PHE 13 Cb 0.12 -3.24 0.07 0.00 -0.57 0.00 0.00 43.02 39.40 2dmc s PHE 13 CO 0.67 -0.49 0.64 -0.08 -0.10 0.00 0.00 175.22 175.86 2dmc s THR 14 N -1.25 0.00 -0.22 0.64 -1.32 -1.26 -5.17 115.64 107.06 2dmc s THR 14 Ca 0.47 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.79 2dmc s THR 14 Cb -0.30 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.75 2dmc s THR 14 CO 0.38 0.00 0.55 0.00 -2.21 0.00 0.00 174.62 173.34 2dmc s ALA 15 N -2.32 -1.42 0.09 11.08 0.00 -1.26 -5.17 121.76 122.76 2dmc s ALA 15 Ca -0.06 1.79 0.05 0.00 0.00 0.00 0.00 51.96 53.74 2dmc s ALA 15 Cb -0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2dmc s ALA 15 CO -0.00 -0.30 -0.12 0.21 0.00 0.00 0.00 175.76 175.55 2dmc s LYS 16 N 0.97 0.86 0.63 0.00 2.20 -1.26 -5.02 119.74 118.13 2dmc s LYS 16 Ca -0.05 -1.09 0.32 0.00 -0.36 0.00 0.00 55.97 54.78 2dmc s LYS 16 Cb -0.05 -0.70 1.77 0.00 -1.51 0.00 0.00 37.83 37.33 2dmc s LYS 16 CO -0.09 0.13 2.06 -0.84 -0.36 0.00 0.00 175.35 176.26 2dmc h ILE 17 N 3.83 0.21 -2.91 5.43 3.07 -2.10 -3.35 117.51 121.69 2dmc h ILE 17 Ca -0.39 0.00 -0.70 0.00 1.55 0.00 0.00 64.86 65.32 2dmc h ILE 17 Cb 1.19 0.78 -0.20 0.00 -0.27 0.00 0.00 36.82 38.33 2dmc h ILE 17 CO 0.48 0.00 0.16 0.42 -1.05 0.00 0.00 178.15 178.15 2dmc s THR 18 N -4.36 4.84 0.96 0.16 -4.23 -1.26 -5.05 115.64 106.70 2dmc s THR 18 Ca -0.04 -1.07 -0.12 0.00 -1.18 0.00 0.00 61.69 59.28 2dmc s THR 18 Cb 0.13 -4.51 0.17 0.00 1.34 0.00 0.00 72.50 69.63 2dmc s THR 18 CO 0.43 -1.15 1.09 -0.62 -0.54 0.00 0.00 174.62 173.82 2dmc s ASP 19 N 3.58 2.78 -0.26 3.99 -1.08 -1.26 -5.01 116.67 119.42 2dmc s ASP 19 Ca 0.13 1.57 -0.12 0.00 -0.52 0.00 0.00 52.55 53.62 2dmc s ASP 19 Cb -0.23 -2.23 -0.11 0.00 -1.46 0.00 0.00 42.92 38.89 2dmc s ASP 19 CO 0.05 -3.08 -0.32 0.47 0.52 0.00 0.00 175.17 172.80 2dmc n ASP 20 N -4.18 1.83 -1.34 -0.34 8.00 -1.26 -5.02 116.55 114.24 2dmc n ASP 20 Ca 0.07 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.74 2dmc n ASP 20 Cb 0.55 -0.72 0.01 0.00 -0.02 0.00 0.00 41.12 40.93 2dmc n ASP 20 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2dmc n SER 21 N -4.08 -3.50 -2.95 -2.24 2.88 -1.26 -4.93 113.62 97.54 2dmc n SER 21 Ca -0.50 -0.07 -0.27 0.00 -1.33 0.00 0.00 58.87 56.70 2dmc n SER 21 Cb 0.87 -2.58 0.01 0.00 -0.75 0.00 0.00 64.21 61.75 2dmc n SER 21 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dmc n ARG 22 N -2.12 0.00 -0.06 -1.46 3.00 -1.26 -4.92 116.66 109.85 2dmc n ARG 22 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.73 2dmc n ARG 22 Cb 0.57 -0.69 -0.02 0.00 0.00 0.00 0.00 32.46 32.32 2dmc n ARG 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2dmc h ARG 23 N 0.00 0.00 -6.34 5.56 9.65 -2.07 -3.46 114.38 117.71 2dmc h ARG 23 Ca -0.28 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.04 2dmc h ARG 23 Cb 1.01 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.55 2dmc h ARG 23 CO 0.29 0.14 -0.07 0.00 2.80 0.00 0.00 179.97 183.13 2dmc s SER 25 N -1.75 7.11 -0.18 0.00 0.15 -1.26 -5.02 113.70 112.75 2dmc s SER 25 Ca 0.39 1.97 -0.13 0.00 0.70 0.00 0.00 55.95 58.88 2dmc s SER 25 Cb -0.15 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.54 2dmc s SER 25 CO 0.19 -0.45 0.25 -1.58 1.20 0.00 0.00 173.24 172.85 2dmc s GLN 26 N 1.10 4.23 0.05 5.44 -0.44 -1.26 -4.29 119.66 124.49 2dmc s GLN 26 Ca 0.58 -0.00 0.00 0.00 -2.50 0.00 0.00 55.36 53.44 2dmc s GLN 26 Cb -0.28 -3.44 -0.03 0.00 -1.64 0.00 0.00 33.01 27.62 2dmc s GLN 26 CO 0.29 0.23 -0.04 0.08 0.50 0.00 0.00 175.29 176.35 2dmc s VAL 27 N 0.51 0.32 -0.31 1.34 1.01 -1.26 -4.99 120.40 117.03 2dmc s VAL 27 Ca 0.14 -1.50 -0.20 0.00 0.00 0.00 0.00 61.98 60.41 2dmc s VAL 27 Cb -0.13 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2dmc s VAL 27 CO 0.02 -0.77 0.63 -0.54 0.00 0.00 0.00 175.10 174.44 2dmc s LYS 28 N -2.96 3.90 0.23 2.72 -0.14 -1.26 -3.69 119.74 118.53 2dmc s LYS 28 Ca -0.00 0.29 -0.30 0.00 -1.36 0.00 0.00 55.97 54.60 2dmc s LYS 28 Cb 0.00 -3.73 -0.09 0.00 -1.68 0.00 0.00 37.83 32.34 2dmc s LYS 28 CO -0.05 -0.57 1.21 -1.17 -0.76 0.00 0.00 175.35 174.00 2dmc s LEU 29 N 2.61 4.46 -0.30 3.17 2.96 -1.26 -2.92 118.68 127.40 2dmc s LEU 29 Ca 0.25 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 2dmc s LEU 29 Cb -0.15 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.92 2dmc s LEU 29 CO 0.12 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 2dmc n GLY 30 N 1.83 0.60 3.14 7.98 0.00 0.61 -5.02 105.19 114.34 2dmc n GLY 30 Ca 0.03 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.84 -0.32 0.13 1.61 0.01 -1.15 -5.01 113.70 106.14 2dmc s SER 31 Ca 0.00 0.60 -0.34 0.00 1.31 0.00 0.00 55.95 57.52 2dmc s SER 31 Cb 0.00 0.55 -0.14 0.00 0.21 0.00 0.00 66.02 66.64 2dmc s SER 31 CO 0.00 -0.14 1.62 0.00 0.41 0.00 0.00 173.24 175.13 2dmc n ALA 32 N 3.57 1.29 -3.63 1.44 0.00 -1.26 -4.40 120.51 117.51 2dmc n ALA 32 Ca -0.19 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.46 2dmc n ALA 32 Cb 0.56 -2.37 -0.17 0.00 0.00 0.00 0.00 19.45 17.47 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 1.34 0.85 0.63 0.00 0.00 -0.98 -4.99 121.76 118.61 2dmc s ALA 33 Ca 0.81 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 2dmc s ALA 33 Cb -0.68 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 2dmc s ALA 33 CO 0.40 -0.08 1.05 0.34 0.00 0.00 0.00 175.76 177.48 2dmc s ASP 34 N 1.05 5.67 -0.08 0.00 2.15 -1.26 -4.05 116.67 120.15 2dmc s ASP 34 Ca -0.09 1.73 -0.02 0.00 0.43 0.00 0.00 52.55 54.60 2dmc s ASP 34 Cb -0.14 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.00 2dmc s ASP 34 CO -0.01 -1.24 0.05 -0.36 -0.17 0.00 0.00 175.17 173.45 2dmc s PHE 35 N -2.67 0.26 -0.34 -5.34 0.08 -1.09 -4.99 117.98 103.89 2dmc s PHE 35 Ca 0.61 0.00 -0.23 0.00 0.12 0.00 0.00 56.93 57.43 2dmc s PHE 35 Cb -0.15 -0.62 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 2dmc s PHE 35 CO 0.43 -0.30 0.78 -1.17 -0.10 0.00 0.00 175.22 174.86 2dmc s LEU 36 N 2.11 4.11 0.01 -0.37 2.96 -1.26 -2.97 118.68 123.27 2dmc s LEU 36 Ca 0.04 0.47 0.06 0.00 -0.22 0.00 0.00 54.13 54.48 2dmc s LEU 36 Cb -0.13 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 2dmc s LEU 36 CO -0.05 -0.68 -0.18 -1.48 -1.32 0.00 0.00 176.35 172.64 2dmc s LEU 37 N 3.03 2.10 -0.62 -0.68 2.34 -1.19 -5.05 118.68 118.62 2dmc s LEU 37 Ca 0.31 -0.40 -0.21 0.00 0.06 0.00 0.00 54.13 53.89 2dmc s LEU 37 Cb -0.14 -0.86 0.08 0.00 -0.56 0.00 0.00 46.19 44.71 2dmc s LEU 37 CO 0.15 0.16 0.85 -1.81 -1.06 0.00 0.00 176.35 174.65 2dmc s ASP 38 N -0.78 6.19 0.01 1.48 1.01 -1.26 -4.41 116.67 118.91 2dmc s ASP 38 Ca 0.06 -1.07 0.06 0.00 0.71 0.00 0.00 52.55 52.31 2dmc s ASP 38 Cb -0.08 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 2dmc s ASP 38 CO 0.00 -1.28 -0.18 0.27 0.21 0.00 0.00 175.17 174.20 2dmc s ILE 39 N 3.50 1.41 -0.28 0.77 -4.36 -1.26 -5.02 121.20 115.96 2dmc s ILE 39 Ca 0.19 -0.90 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 2dmc s ILE 39 Cb -0.19 -1.20 0.19 0.00 1.25 0.00 0.00 42.46 42.51 2dmc s ILE 39 CO 0.10 0.28 1.15 -1.20 0.24 0.00 0.00 174.94 175.51 2dmc n SER 40 N 2.33 2.98 -3.99 4.36 7.64 -1.26 -4.76 113.62 120.92 2dmc n SER 40 Ca -0.16 -2.39 -0.29 0.00 1.01 0.00 0.00 58.87 57.04 2dmc n SER 40 Cb 0.54 -0.58 -0.17 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.02 2.09 -0.16 1.43 8.01 -1.26 -4.99 118.70 122.80 2dmc s GLU 41 Ca 0.15 -0.48 0.18 0.00 0.01 0.00 0.00 54.97 54.83 2dmc s GLU 41 Cb 0.12 -1.95 -0.26 0.00 -4.31 0.00 0.00 34.13 27.73 2dmc s GLU 41 CO 0.03 -0.23 0.15 -2.37 0.01 0.00 0.00 175.26 172.85 2dmc n THR 42 N 4.77 1.08 -1.69 3.63 5.66 -1.26 -4.89 114.28 121.57 2dmc n THR 42 Ca -0.16 -0.76 -0.40 0.00 -3.05 0.00 0.00 64.05 59.68 2dmc n THR 42 Cb 0.50 -0.38 -0.03 0.00 -1.55 0.00 0.00 70.33 68.87 2dmc n THR 42 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2dmc s ASP 43 N -5.22 5.14 -0.01 1.09 1.11 -1.26 -4.87 116.67 112.66 2dmc s ASP 43 Ca -0.09 1.36 -0.11 0.00 0.18 0.00 0.00 52.55 53.89 2dmc s ASP 43 Cb 0.07 -2.51 -0.06 0.00 1.07 0.00 0.00 42.92 41.49 2dmc s ASP 43 CO 0.82 -2.29 0.70 -0.07 1.18 0.00 0.00 175.17 175.51 2dmc h LEU 44 N 16.62 -0.32 -0.63 1.23 3.38 -1.90 -3.00 115.31 130.68 2dmc h LEU 44 Ca -0.32 0.01 0.12 0.00 0.09 0.00 0.00 57.88 57.78 2dmc h LEU 44 Cb 1.23 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.94 2dmc h LEU 44 CO 1.07 -0.11 -0.22 0.28 0.09 0.00 0.00 178.44 179.54 2dmc h SER 45 N -0.61 -0.80 -1.02 -0.43 0.02 -1.96 0.30 113.55 109.04 2dmc h SER 45 Ca -0.04 0.21 0.26 0.00 -0.84 0.00 0.00 61.79 61.37 2dmc h SER 45 Cb 0.29 0.46 -0.11 0.00 0.14 0.00 0.00 62.40 63.18 2dmc h SER 45 CO 0.06 -0.25 0.63 0.28 -1.14 0.00 0.00 176.83 176.41 2dmc h SER 46 N -0.06 0.58 -3.47 3.07 0.02 -1.96 -3.40 113.55 108.33 2dmc h SER 46 Ca 0.29 0.11 -0.50 0.00 -0.84 0.00 0.00 61.79 60.86 2dmc h SER 46 Cb 0.51 0.02 0.02 0.00 0.14 0.00 0.00 62.40 63.09 2dmc h SER 46 CO -0.68 0.10 0.04 -0.76 -1.14 0.00 0.00 176.83 174.39 2dmc s LEU 47 N -10.05 3.80 0.10 5.07 1.43 0.11 -2.52 118.68 116.60 2dmc s LEU 47 Ca -0.10 0.90 0.09 0.00 -1.03 0.00 0.00 54.13 53.99 2dmc s LEU 47 Cb 0.26 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2dmc s LEU 47 CO 0.80 -0.43 -0.19 -0.89 0.23 0.00 0.00 176.35 175.86 2dmc s THR 48 N -2.48 2.77 -0.17 5.49 2.01 0.37 -4.90 115.64 118.72 2dmc s THR 48 Ca 0.47 -1.44 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2dmc s THR 48 Cb -0.10 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.18 2dmc s THR 48 CO 0.38 0.17 -0.14 0.00 -0.69 0.00 0.00 174.62 174.33 2dmc s ALA 49 N -1.07 2.51 -0.17 7.40 0.00 -1.26 -3.84 121.76 125.33 2dmc s ALA 49 Ca 0.17 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 2dmc s ALA 49 Cb -0.10 -1.30 0.04 0.00 0.00 0.00 0.00 23.12 21.76 2dmc s ALA 49 CO 0.08 -0.19 0.44 -1.12 0.00 0.00 0.00 175.76 174.97 2dmc s SER 50 N 1.07 -0.46 0.01 0.00 0.01 -1.10 -4.85 113.70 108.37 2dmc s SER 50 Ca -0.00 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2dmc s SER 50 Cb -0.14 0.90 -0.01 0.00 0.21 0.00 0.00 66.02 66.98 2dmc s SER 50 CO -0.04 -0.16 -0.01 -0.63 0.41 0.00 0.00 173.24 172.81 2dmc s ILE 51 N 0.30 0.05 -0.23 1.44 1.01 -1.26 0.57 121.20 123.07 2dmc s ILE 51 Ca -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 2dmc s ILE 51 Cb -0.03 -0.09 0.09 0.00 0.01 0.00 0.00 42.46 42.43 2dmc s ILE 51 CO -0.00 -0.12 0.14 -0.75 0.00 0.00 0.00 174.94 174.21 2dmc s LYS 52 N -0.37 0.15 1.04 2.79 2.47 -1.23 -2.91 119.74 121.68 2dmc s LYS 52 Ca -0.04 -0.21 -0.25 0.00 -1.56 0.00 0.00 55.97 53.92 2dmc s LYS 52 Cb -0.03 -1.37 -0.10 0.00 -1.46 0.00 0.00 37.83 34.87 2dmc s LYS 52 CO -0.00 -0.83 -1.05 0.00 0.16 0.00 0.00 175.35 173.63 2dmc n ALA 53 N 5.28 -5.29 0.30 3.13 0.00 0.50 -4.23 120.51 120.20 2dmc n ALA 53 Ca -0.06 -1.33 0.16 0.00 0.00 0.00 0.00 53.44 52.22 2dmc n ALA 53 Cb 0.46 -1.03 0.67 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 -1.32 0.00 -0.63 0.00 0.13 -1.88 -2.38 132.00 125.91 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 0.26 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.46 2dmc n SER 55 N -2.91 3.51 0.00 1.44 7.64 -1.26 -4.91 113.62 117.13 2dmc n SER 55 Ca 0.01 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.89 2dmc n SER 55 Cb 0.28 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 1.54 0.49 3.57 0.23 0.00 -0.90 -5.02 105.19 105.11 2dmc n GLY 56 Ca 0.22 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.35 3.65 0.24 1.61 1.81 -1.26 -4.82 118.95 118.83 2dmc s ARG 57 Ca 0.00 0.07 -0.30 0.00 -1.72 0.00 0.00 55.73 53.78 2dmc s ARG 57 Cb 0.00 -3.82 -0.09 0.00 -0.45 0.00 0.00 34.95 30.59 2dmc s ARG 57 CO 0.00 -0.80 1.18 0.34 -0.68 0.00 0.00 175.30 175.34 2dmc s ASP 58 N 1.83 7.11 0.03 0.23 2.15 -1.26 -0.37 116.67 126.39 2dmc s ASP 58 Ca 0.26 2.31 0.08 0.00 0.43 0.00 0.00 52.55 55.63 2dmc s ASP 58 Cb -0.14 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 2dmc s ASP 58 CO 0.16 -0.31 -0.24 -1.61 -0.17 0.00 0.00 175.17 173.00 2dmc s GLU 59 N -0.87 1.68 -0.82 4.34 2.02 -1.15 -4.93 118.70 118.97 2dmc s GLU 59 Ca 0.49 -1.00 -0.25 0.00 0.02 0.00 0.00 54.97 54.23 2dmc s GLU 59 Cb -0.33 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 2dmc s GLU 59 CO 0.40 0.47 1.92 -1.25 0.02 0.00 0.00 175.26 176.82 2dmc s PRO 60 N -1.08 2.58 -0.04 0.39 0.04 -1.26 -4.38 135.00 131.25 2dmc s PRO 60 Ca 0.10 -0.05 -0.04 0.00 0.04 0.00 0.00 61.00 61.05 2dmc s PRO 60 Cb -0.09 -4.88 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 2dmc s PRO 60 CO 0.01 -3.20 0.15 0.00 0.04 0.00 0.00 177.00 174.01 2dmc s LEU 62 N -1.61 0.25 0.09 0.00 1.98 0.20 -4.80 118.68 114.79 2dmc s LEU 62 Ca 0.23 0.28 -0.26 0.00 -2.89 0.00 0.00 54.13 51.49 2dmc s LEU 62 Cb -0.12 0.24 -0.06 0.00 0.66 0.00 0.00 46.19 46.91 2dmc s LEU 62 CO 0.13 -0.21 0.81 -0.76 -1.89 0.00 0.00 176.35 174.44 2dmc s LEU 63 N 1.87 4.49 0.07 -0.68 1.43 -1.26 -0.02 118.68 124.58 2dmc s LEU 63 Ca -0.01 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 54.63 2dmc s LEU 63 Cb -0.12 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 2dmc s LEU 63 CO -0.05 0.04 0.04 -1.59 0.23 0.00 0.00 176.35 175.01 2dmc s LYS 64 N -0.29 0.71 0.03 1.70 -2.85 -1.06 -4.95 119.74 113.03 2dmc s LYS 64 Ca 0.40 -1.18 -0.25 0.00 -1.00 0.00 0.00 55.97 53.93 2dmc s LYS 64 Cb -0.22 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 2dmc s LYS 64 CO 0.25 -0.17 0.78 0.50 0.10 0.00 0.00 175.35 176.81 2dmc s ARG 65 N -3.92 4.50 0.16 1.78 6.06 -1.26 -3.00 118.95 123.27 2dmc s ARG 65 Ca 0.08 1.08 0.05 0.00 -2.50 0.00 0.00 55.73 54.44 2dmc s ARG 65 Cb 0.07 -3.38 -0.04 0.00 0.06 0.00 0.00 34.95 31.67 2dmc s ARG 65 CO -0.09 0.24 0.13 -0.51 -2.50 0.00 0.00 175.30 172.57 2dmc s LEU 66 N 0.10 3.78 0.91 -0.88 1.43 0.14 -4.92 118.68 119.24 2dmc s LEU 66 Ca 0.39 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 2dmc s LEU 66 Cb -0.20 -2.39 0.14 0.00 0.03 0.00 0.00 46.19 43.76 2dmc s LEU 66 CO 0.23 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.82 2dmc s PRO 67 N -3.05 1.13 -0.81 1.29 0.04 -1.26 -2.53 135.00 129.81 2dmc s PRO 67 Ca 0.31 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2dmc s PRO 67 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dmc s PRO 67 CO 0.23 -2.32 0.00 -1.71 0.04 0.00 0.00 177.00 173.24 2dmc n ASN 68 N -3.93 -3.29 -3.41 6.66 2.85 -1.26 -3.20 115.26 109.67 2dmc n ASN 68 Ca 0.07 0.02 -0.18 0.00 -0.11 0.00 0.00 54.58 54.38 2dmc n ASN 68 Cb 0.56 -2.45 0.09 0.00 1.24 0.00 0.00 39.78 39.22 2dmc n ASN 68 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2dmc n ASN 69 N 0.28 -3.22 -4.28 1.20 3.02 -1.26 -5.02 115.26 105.99 2dmc n ASN 69 Ca -0.11 -0.58 -0.15 0.00 -0.03 0.00 0.00 54.58 53.71 2dmc n ASN 69 Cb 0.55 -4.99 -0.10 0.00 -0.61 0.00 0.00 39.78 34.62 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 -3.34 1.35 -0.02 3.10 3.76 -1.05 -5.06 115.29 114.03 2dmc s HIS 70 Ca 0.16 -0.99 -0.05 0.00 -0.15 0.00 0.00 55.06 54.03 2dmc s HIS 70 Cb -0.07 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 32.85 2dmc s HIS 70 CO 0.71 -0.16 0.11 0.42 -0.85 0.00 0.00 174.74 174.97 2dmc s ILE 71 N -3.58 0.03 0.20 0.60 1.01 -1.26 0.27 121.20 118.47 2dmc s ILE 71 Ca 0.26 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 2dmc s ILE 71 Cb 0.06 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 2dmc s ILE 71 CO 0.06 -0.16 0.36 -0.83 0.00 0.00 0.00 174.94 174.37 2dmc s GLY 72 N -0.50 0.52 0.08 6.18 0.00 -1.16 -3.14 107.32 109.30 2dmc s GLY 72 Ca -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 2dmc s GLY 72 CO 0.00 -0.75 0.29 -1.50 0.00 0.00 0.00 173.10 171.14 2dmc s ILE 73 N -3.99 5.29 -0.19 0.90 2.07 -1.16 -2.55 121.20 121.56 2dmc s ILE 73 Ca 0.20 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 2dmc s ILE 73 Cb 0.02 -3.62 0.04 0.00 0.13 0.00 0.00 42.46 39.04 2dmc s ILE 73 CO 0.04 0.14 -0.09 -0.55 -1.91 0.00 0.00 174.94 172.57 2dmc s SER 74 N -2.34 3.28 0.22 4.50 0.15 0.97 -2.65 113.70 117.82 2dmc s SER 74 Ca 0.36 -0.85 -0.12 0.00 0.70 0.00 0.00 55.95 56.04 2dmc s SER 74 Cb -0.13 -1.14 -0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2dmc s SER 74 CO 0.25 -0.16 0.42 0.72 1.20 0.00 0.00 173.24 175.67 2dmc s PHE 75 N 1.46 0.32 -0.40 3.44 -0.71 -1.26 0.60 117.98 121.43 2dmc s PHE 75 Ca -0.01 -0.68 -0.04 0.00 -1.04 0.00 0.00 56.93 55.17 2dmc s PHE 75 Cb -0.16 0.13 0.10 0.00 -1.21 0.00 0.00 43.02 41.88 2dmc s PHE 75 CO -0.08 -0.90 0.19 0.42 -1.34 0.00 0.00 175.22 173.51 2dmc s ILE 76 N -3.99 3.40 0.18 -4.49 1.01 -1.25 -2.31 121.20 113.75 2dmc s ILE 76 Ca 0.20 -1.89 -0.30 0.00 0.00 0.00 0.00 60.65 58.65 2dmc s ILE 76 Cb 0.01 -3.25 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 2dmc s ILE 76 CO 0.05 -0.61 1.32 -2.16 0.00 0.00 0.00 174.94 173.54 2dmc s PRO 77 N 1.20 4.38 -0.15 2.79 0.04 -1.26 -4.70 135.00 137.29 2dmc s PRO 77 Ca 0.06 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.23 2dmc s PRO 77 Cb -0.23 -3.21 -0.15 0.00 0.04 0.00 0.00 34.50 30.96 2dmc s PRO 77 CO -0.03 -0.28 -0.03 0.54 0.04 0.00 0.00 177.00 177.24 2dmc n ARG 78 N 2.88 1.27 -4.27 4.56 3.00 -1.26 -0.28 116.66 122.56 2dmc n ARG 78 Ca 0.07 0.03 -0.28 0.00 -0.01 0.00 0.00 57.85 57.66 2dmc n ARG 78 Cb 0.43 -1.36 -0.10 0.00 0.00 0.00 0.00 32.46 31.43 2dmc n ARG 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2dmc s GLU 79 N -2.34 2.02 -0.08 5.56 2.56 -1.26 -4.76 118.70 120.40 2dmc s GLU 79 Ca -0.13 -1.16 -0.05 0.00 0.00 0.00 0.00 54.97 53.63 2dmc s GLU 79 Cb 0.05 -2.20 -0.04 0.00 2.00 0.00 0.00 34.13 33.94 2dmc s GLU 79 CO 0.51 0.47 0.13 0.14 -0.56 0.00 0.00 175.26 175.95 2dmc s VAL 80 N -1.40 5.32 -0.41 3.70 -7.23 -1.26 -4.83 120.40 114.27 2dmc s VAL 80 Ca 0.22 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 2dmc s VAL 80 Cb -0.10 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.48 2dmc s VAL 80 CO 0.14 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 176.07 2dmc n GLY 81 N 1.70 0.17 3.36 2.32 0.00 0.27 -4.92 105.19 108.09 2dmc n GLY 81 Ca -0.17 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 2.87 -0.09 1.61 2.12 -1.26 -0.11 118.70 121.84 2dmc s GLU 82 Ca 0.00 -1.33 -0.09 0.00 0.36 0.00 0.00 54.97 53.91 2dmc s GLU 82 Cb 0.00 -4.00 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 2dmc s GLU 82 CO 0.00 -0.96 0.20 -1.01 -0.54 0.00 0.00 175.26 172.95 2dmc s HIS 83 N 1.58 3.63 -0.25 5.30 3.76 -0.05 -4.29 115.29 124.97 2dmc s HIS 83 Ca 0.04 0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 55.57 2dmc s HIS 83 Cb -0.23 -2.01 0.03 0.00 1.11 0.00 0.00 32.58 31.47 2dmc s HIS 83 CO 0.06 0.71 -0.07 -0.51 -0.85 0.00 0.00 174.74 174.08 2dmc s LEU 84 N -1.09 3.19 -0.30 0.89 1.43 -1.26 -1.41 118.68 120.13 2dmc s LEU 84 Ca 0.18 -0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 52.16 2dmc s LEU 84 Cb -0.13 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2dmc s LEU 84 CO 0.07 -0.13 0.52 -0.69 0.23 0.00 0.00 176.35 176.35 2dmc s VAL 85 N 1.29 5.04 -0.58 -1.59 1.01 -0.05 -3.48 120.40 122.05 2dmc s VAL 85 Ca -0.01 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 2dmc s VAL 85 Cb -0.17 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2dmc s VAL 85 CO -0.05 -0.04 1.14 -0.44 0.00 0.00 0.00 175.10 175.71 2dmc s SER 86 N 1.64 6.42 -0.28 3.32 0.01 0.19 0.16 113.70 125.16 2dmc s SER 86 Ca 0.21 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2dmc s SER 86 Cb -0.15 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.60 2dmc s SER 86 CO 0.11 -1.44 -0.06 -0.63 0.41 0.00 0.00 173.24 171.63 2dmc s ILE 87 N 4.77 2.59 0.33 1.44 -1.09 -1.26 -2.70 121.20 125.27 2dmc s ILE 87 Ca 0.40 -1.47 0.03 0.00 -2.23 0.00 0.00 60.65 57.39 2dmc s ILE 87 Cb -0.08 -2.48 -0.06 0.00 -1.58 0.00 0.00 42.46 38.25 2dmc s ILE 87 CO 0.24 -0.04 0.07 -0.54 -1.23 0.00 0.00 174.94 173.44 2dmc s LYS 88 N 1.19 1.65 -0.28 2.79 1.02 -1.25 -1.32 119.74 123.54 2dmc s LYS 88 Ca -0.06 -1.93 0.02 0.00 0.02 0.00 0.00 55.97 54.02 2dmc s LYS 88 Cb -0.20 -0.78 0.07 0.00 -0.52 0.00 0.00 37.83 36.41 2dmc s LYS 88 CO -0.03 -0.23 -0.02 0.21 -0.92 0.00 0.00 175.35 174.35 2dmc s LYS 89 N -3.89 1.64 -1.81 1.68 2.20 0.43 -0.48 119.74 119.50 2dmc s LYS 89 Ca 0.35 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 2dmc s LYS 89 Cb 0.08 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2dmc s LYS 89 CO 0.15 -0.72 0.00 0.09 -0.36 0.00 0.00 175.35 174.51 2dmc n ASN 90 N 4.53 -5.56 0.00 1.43 3.02 -1.05 -1.65 115.26 115.97 2dmc n ASN 90 Ca -0.07 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2dmc n ASN 90 Cb 0.43 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 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 0.89 2.79 7.41 0.00 -1.26 -5.06 105.19 109.07 2dmc n GLY 91 Ca -0.22 -0.14 -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 -2.13 4.16 0.11 1.61 0.01 -0.66 -5.09 114.94 112.95 2dmc s ASN 92 Ca 0.00 -1.73 -0.22 0.00 -0.71 0.00 0.00 52.86 50.20 2dmc s ASN 92 Cb 0.00 -1.00 -0.13 0.00 0.41 0.00 0.00 41.25 40.53 2dmc s ASN 92 CO 0.00 -0.41 0.47 1.41 -1.51 0.00 0.00 177.10 177.06 2dmc n HIS 93 N 4.74 -0.16 -3.07 2.20 8.25 -1.26 -0.43 115.22 125.49 2dmc n HIS 93 Ca -0.01 0.72 -0.20 0.00 -0.26 0.00 0.00 57.72 57.97 2dmc n HIS 93 Cb 0.42 -1.44 0.06 0.00 1.12 0.00 0.00 29.99 30.15 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 -0.55 2.08 0.50 1.59 -7.23 -0.44 -4.66 120.40 111.69 2dmc s VAL 94 Ca 0.51 -1.02 -0.22 0.00 -1.81 0.00 0.00 61.98 59.44 2dmc s VAL 94 Cb -0.73 -2.10 -0.06 0.00 0.56 0.00 0.00 36.38 34.04 2dmc s VAL 94 CO 0.41 0.00 1.24 0.00 -0.31 0.00 0.00 175.10 176.44 2dmc s ALA 95 N -2.69 2.87 -1.64 1.32 0.00 -1.26 -2.74 121.76 117.62 2dmc s ALA 95 Ca 0.61 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2dmc s ALA 95 Cb -0.05 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2dmc s ALA 95 CO 0.39 -0.97 0.00 0.09 0.00 0.00 0.00 175.76 175.27 2dmc n ASN 96 N -0.80 -5.37 -4.11 0.00 3.02 -1.26 -4.99 115.26 101.76 2dmc n ASN 96 Ca 0.09 0.04 -0.21 0.00 -0.03 0.00 0.00 54.58 54.47 2dmc n ASN 96 Cb 0.47 -4.43 -0.14 0.00 -0.61 0.00 0.00 39.78 35.06 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 -2.24 1.59 0.65 6.41 0.15 -1.11 -3.31 113.70 115.84 2dmc s SER 97 Ca 0.00 -0.31 -0.15 0.00 0.70 0.00 0.00 55.95 56.19 2dmc s SER 97 Cb 0.00 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 2dmc s SER 97 CO 0.00 0.12 1.11 -2.16 1.20 0.00 0.00 173.24 173.51 2dmc s PRO 98 N -0.58 2.86 -0.04 5.44 0.04 -1.26 -4.79 135.00 136.67 2dmc s PRO 98 Ca 0.04 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2dmc s PRO 98 Cb -0.06 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2dmc s PRO 98 CO 0.00 -1.21 1.07 0.08 0.04 0.00 0.00 177.00 176.98 2dmc s VAL 99 N -2.28 4.58 -0.33 -0.36 1.01 0.12 -4.74 120.40 118.40 2dmc s VAL 99 Ca 0.68 1.86 -0.19 0.00 0.00 0.00 0.00 61.98 64.32 2dmc s VAL 99 Cb -0.21 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2dmc s VAL 99 CO 0.40 0.06 0.59 -0.94 0.00 0.00 0.00 175.10 175.21 2dmc s SER 100 N 1.15 6.42 0.11 3.32 1.04 -1.26 -0.87 113.70 123.62 2dmc s SER 100 Ca 0.53 0.24 0.09 0.00 0.48 0.00 0.00 55.95 57.29 2dmc s SER 100 Cb -0.22 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2dmc s SER 100 CO 0.23 -0.49 -0.22 -0.63 0.98 0.00 0.00 173.24 173.11 2dmc s ILE 101 N 2.55 1.86 -0.25 -1.02 1.01 -0.50 -5.01 121.20 119.85 2dmc s ILE 101 Ca 0.23 -1.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.22 2dmc s ILE 101 Cb -0.15 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.64 2dmc s ILE 101 CO 0.13 -0.04 -0.04 -0.32 0.00 0.00 0.00 174.94 174.67 2dmc s MET 102 N -2.01 3.05 -0.17 2.79 -2.45 -1.26 -0.88 119.30 118.37 2dmc s MET 102 Ca 0.09 -0.84 -0.08 0.00 -1.25 0.00 0.00 55.69 53.61 2dmc s MET 102 Cb -0.10 -3.04 -0.04 0.00 1.25 0.00 0.00 34.83 32.90 2dmc s MET 102 CO 0.05 -0.34 0.08 0.08 1.05 0.00 0.00 175.02 175.94 2dmc s VAL 103 N 1.40 4.96 0.05 10.11 1.01 0.84 -4.34 120.40 134.43 2dmc s VAL 103 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2dmc s VAL 103 Cb -0.16 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2dmc s VAL 103 CO -0.03 0.48 -0.08 0.68 0.00 0.00 0.00 175.10 176.14 2dmc s VAL 104 N 0.17 0.63 -0.35 2.92 -7.23 -1.26 0.94 120.40 116.21 2dmc s VAL 104 Ca 0.06 -1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.73 2dmc s VAL 104 Cb -0.12 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 36.02 2dmc s VAL 104 CO 0.00 -0.42 1.55 -1.10 -0.31 0.00 0.00 175.10 174.82 2dmc s GLN 105 N -1.87 3.55 0.54 4.82 -0.21 -1.26 -4.05 119.66 121.18 2dmc s GLN 105 Ca -0.06 1.21 -0.21 0.00 0.02 0.00 0.00 55.36 56.32 2dmc s GLN 105 Cb -0.08 -4.07 -0.05 0.00 1.00 0.00 0.00 33.01 29.81 2dmc s GLN 105 CO 0.00 -1.59 1.26 -1.54 -2.12 0.00 0.00 175.29 171.30 2dmc s SER 106 N 4.57 5.45 -0.17 5.90 1.04 -1.24 -5.02 113.70 124.23 2dmc s SER 106 Ca 0.68 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.64 2dmc s SER 106 Cb -0.18 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.36 2dmc s SER 106 CO 0.32 -1.43 -0.12 -0.70 0.98 0.00 0.00 173.24 172.29 2dmc s GLU 107 N -3.00 2.12 -0.06 4.02 2.12 -1.26 -4.99 118.70 117.64 2dmc s GLU 107 Ca 0.72 -0.67 -0.08 0.00 0.36 0.00 0.00 54.97 55.30 2dmc s GLU 107 Cb -0.34 -2.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 2dmc s GLU 107 CO 0.40 -0.33 -0.17 -0.89 -0.54 0.00 0.00 175.26 173.73 2dmc n ILE 108 N 4.75 1.21 0.00 -3.70 2.08 -1.26 -5.06 119.36 117.38 2dmc n ILE 108 Ca -0.16 0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2dmc n ILE 108 Cb 0.48 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.48 2dmc n ILE 108 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dmc n GLY 109 N 2.42 0.39 3.33 7.39 0.00 -1.26 -4.95 105.19 112.51 2dmc n GLY 109 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2dmc n GLY 109 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dmc n ASP 110 N 0.00 -5.98 -0.01 1.61 8.00 -1.26 -4.86 116.55 114.04 2dmc n ASP 110 Ca 0.00 -0.43 0.14 0.00 0.71 0.00 0.00 54.79 55.22 2dmc n ASP 110 Cb 0.00 -4.79 0.64 0.00 -0.02 0.00 0.00 41.12 36.96 2dmc n ASP 110 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dmc n SER 111 N -2.72 0.09 0.00 -2.24 3.41 -1.26 -5.02 113.62 105.88 2dmc n SER 111 Ca -0.05 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2dmc n SER 111 Cb 0.59 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2dmc n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmc n GLY 112 N 1.40 -0.41 0.26 5.00 0.00 -1.26 -3.66 105.19 106.52 2dmc n GLY 112 Ca 0.10 -1.08 0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 -6.59 1.61 0.13 -2.00 -3.44 132.00 121.72 2dmc h PRO 113 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2dmc h PRO 113 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2dmc h PRO 113 CO 0.00 0.08 0.61 -1.54 -0.23 0.00 0.00 178.00 176.92 2dmc s SER 114 N -5.87 6.99 -0.11 1.44 1.04 -1.24 -4.95 113.70 111.01 2dmc s SER 114 Ca 0.00 2.22 -0.02 0.00 0.48 0.00 0.00 55.95 58.63 2dmc s SER 114 Cb 0.10 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2dmc s SER 114 CO 0.57 -0.49 -0.02 -0.55 0.98 0.00 0.00 173.24 173.72 2dmc s SER 115 N 0.67 4.97 0.00 7.02 0.15 -1.26 -4.87 113.70 120.38 2dmc s SER 115 Ca 0.58 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2dmc s SER 115 Cb -0.33 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 2dmc s SER 115 CO 0.33 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.67