#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 0.09 1.61 0.01 -1.26 -5.17 113.70 108.55 2dmc s SER 2 Ca 0.00 0.82 -0.23 0.00 1.31 0.00 0.00 55.95 57.84 2dmc s SER 2 Cb 0.00 0.81 0.06 0.00 0.21 0.00 0.00 66.02 67.10 2dmc s SER 2 CO 0.00 -0.15 0.57 -0.94 0.41 0.00 0.00 173.24 173.13 2dmc s SER 3 N 0.40 -0.51 0.00 2.44 1.04 -1.26 -5.17 113.70 110.64 2dmc s SER 3 Ca -0.02 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2dmc s SER 3 Cb -0.04 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2dmc s SER 3 CO -0.02 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2dmc n GLY 4 N 0.08 2.86 3.65 7.32 0.00 -1.26 -5.17 105.19 112.67 2dmc n GLY 4 Ca -0.18 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 2.00 4.83 -0.10 1.61 0.01 -1.26 -5.06 113.70 115.73 2dmc s SER 5 Ca 0.00 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 2dmc s SER 5 Cb 0.00 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 2dmc s SER 5 CO 0.00 0.20 0.09 0.28 0.41 0.00 0.00 173.24 174.22 2dmc h SER 6 N 3.71 -0.01 0.00 2.44 0.02 -2.02 -3.50 113.55 114.18 2dmc h SER 6 Ca -0.48 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2dmc h SER 6 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2dmc h SER 6 CO 0.57 0.54 0.00 0.61 -1.14 0.00 0.00 176.83 177.41 2dmc n GLY 7 N 1.73 1.00 3.74 -3.77 0.00 -1.26 -5.09 105.19 101.54 2dmc n GLY 7 Ca -0.01 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2dmc n GLY 7 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dmc n ILE 8 N 0.00 2.80 -2.18 -0.61 -6.64 -1.26 -4.92 119.36 106.55 2dmc n ILE 8 Ca 0.00 -0.50 -0.42 0.00 -1.77 0.00 0.00 62.75 60.06 2dmc n ILE 8 Cb 0.00 -1.74 -0.03 0.00 -1.44 0.00 0.00 39.64 36.43 2dmc n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2dmc s PRO 9 N -2.40 4.27 0.00 6.28 0.04 -1.26 -4.92 135.00 137.00 2dmc s PRO 9 Ca 0.62 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2dmc s PRO 9 Cb -0.46 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2dmc s PRO 9 CO 0.57 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2dmc n GLY 10 N 3.71 -1.54 2.66 0.56 0.00 -1.26 -5.08 105.19 104.22 2dmc n GLY 10 Ca 0.14 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.92 3.23 0.08 1.61 0.15 -1.26 -5.10 113.70 109.49 2dmc s SER 11 Ca 0.00 -3.20 -0.31 0.00 0.70 0.00 0.00 55.95 53.14 2dmc s SER 11 Cb 0.00 -1.01 -0.07 0.00 -1.71 0.00 0.00 66.02 63.23 2dmc s SER 11 CO 0.00 -0.17 1.39 -2.16 1.20 0.00 0.00 173.24 173.50 2dmc s PRO 12 N -0.36 4.31 0.18 5.44 0.04 -1.26 -4.93 135.00 138.42 2dmc s PRO 12 Ca 0.26 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.02 2dmc s PRO 12 Cb -0.07 -3.36 -0.17 0.00 0.04 0.00 0.00 34.50 30.94 2dmc s PRO 12 CO -0.13 -0.47 0.87 1.97 0.04 0.00 0.00 177.00 179.28 2dmc n PHE 13 N 4.41 0.48 -1.68 0.56 -1.74 -1.26 -4.73 117.46 113.50 2dmc n PHE 13 Ca 0.12 0.86 -0.53 0.00 -0.56 0.00 0.00 57.45 57.34 2dmc n PHE 13 Cb 0.43 -2.12 -0.06 0.00 1.52 0.00 0.00 39.48 39.25 2dmc n PHE 13 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2dmc n THR 14 N 0.69 0.31 -3.64 1.97 -1.04 -1.26 -4.95 114.28 106.36 2dmc n THR 14 Ca 0.16 -0.06 -0.08 0.00 -2.04 0.00 0.00 64.05 62.03 2dmc n THR 14 Cb 0.23 -1.35 -0.07 0.00 -1.82 0.00 0.00 70.33 67.32 2dmc n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dmc s ALA 15 N 3.02 -1.83 -0.12 2.41 0.00 -1.26 -5.16 121.76 118.81 2dmc s ALA 15 Ca 0.93 2.32 -0.02 0.00 0.00 0.00 0.00 51.96 55.20 2dmc s ALA 15 Cb -0.93 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 2dmc s ALA 15 CO 0.57 -0.37 -0.04 0.21 0.00 0.00 0.00 175.76 176.13 2dmc s LYS 16 N 1.39 3.30 0.81 0.00 2.20 -1.26 -4.74 119.74 121.43 2dmc s LYS 16 Ca -0.08 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 54.91 2dmc s LYS 16 Cb -0.05 -2.80 0.08 0.00 -1.51 0.00 0.00 37.83 33.55 2dmc s LYS 16 CO -0.16 0.44 1.09 0.96 -0.36 0.00 0.00 175.35 177.32 2dmc s ILE 17 N -0.17 3.14 -0.30 5.43 -5.25 -1.26 -4.87 121.20 117.92 2dmc s ILE 17 Ca 0.03 0.37 -0.32 0.00 -0.99 0.00 0.00 60.65 59.74 2dmc s ILE 17 Cb -0.13 -2.88 -0.09 0.00 2.95 0.00 0.00 42.46 42.31 2dmc s ILE 17 CO 0.02 -0.49 2.21 0.35 -1.79 0.00 0.00 174.94 175.24 2dmc n THR 18 N -3.61 0.25 -1.46 8.37 -2.24 -1.26 -4.83 114.28 109.49 2dmc n THR 18 Ca 0.08 -0.34 -0.54 0.00 -2.27 0.00 0.00 64.05 60.99 2dmc n THR 18 Cb 0.54 -2.01 -0.06 0.00 -2.10 0.00 0.00 70.33 66.71 2dmc n THR 18 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2dmc n ASP 19 N 10.60 -0.43 -4.88 3.42 5.75 -1.26 -4.96 116.55 124.78 2dmc n ASP 19 Ca 0.37 1.15 -0.28 0.00 -0.01 0.00 0.00 54.79 56.01 2dmc n ASP 19 Cb 0.31 -0.96 -0.02 0.00 -1.03 0.00 0.00 41.12 39.43 2dmc n ASP 19 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2dmc s ASP 20 N -0.43 4.51 -0.53 -1.12 1.11 -1.26 -5.03 116.67 113.92 2dmc s ASP 20 Ca 0.78 -1.36 0.02 0.00 0.18 0.00 0.00 52.55 52.17 2dmc s ASP 20 Cb -1.09 0.50 0.58 0.00 1.07 0.00 0.00 42.92 43.98 2dmc s ASP 20 CO 0.56 -1.08 1.95 -0.24 1.18 0.00 0.00 175.17 177.54 2dmc n SER 21 N -1.67 5.22 -4.77 0.27 2.88 -1.26 -5.00 113.62 109.29 2dmc n SER 21 Ca -0.06 -3.68 -0.36 0.00 -1.33 0.00 0.00 58.87 53.44 2dmc n SER 21 Cb 0.65 -0.88 -0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2dmc n SER 21 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dmc s ARG 22 N -3.50 3.53 -0.56 -1.46 0.52 -1.26 -4.95 118.95 111.26 2dmc s ARG 22 Ca 0.60 1.64 0.01 0.00 -0.52 0.00 0.00 55.73 57.46 2dmc s ARG 22 Cb 0.49 -2.14 0.48 0.00 0.52 0.00 0.00 34.95 34.30 2dmc s ARG 22 CO 0.06 -0.71 1.85 -2.13 0.02 0.00 0.00 175.30 174.39 2dmc n ARG 23 N -1.00 2.75 -4.54 3.54 3.00 -1.26 -4.97 116.66 114.18 2dmc n ARG 23 Ca 0.10 -3.40 -0.27 0.00 -0.00 0.00 0.00 57.85 54.28 2dmc n ARG 23 Cb 0.50 -2.25 -0.08 0.00 0.00 0.00 0.00 32.46 30.63 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 -3.65 6.20 -0.13 0.00 0.01 -1.26 -5.08 113.70 109.80 2dmc s SER 25 Ca 0.20 0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.68 2dmc s SER 25 Cb 0.01 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 2dmc s SER 25 CO 0.14 0.00 -0.09 -1.58 0.41 0.00 0.00 173.24 172.12 2dmc s GLN 26 N 1.24 3.38 0.12 12.44 0.74 -1.26 -4.21 119.66 132.11 2dmc s GLN 26 Ca 0.11 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.93 2dmc s GLN 26 Cb -0.14 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 2dmc s GLN 26 CO 0.06 0.29 -0.07 0.08 -0.55 0.00 0.00 175.29 175.10 2dmc s VAL 27 N 0.19 0.81 -0.29 1.34 1.01 -1.26 -5.01 120.40 117.20 2dmc s VAL 27 Ca -0.06 -1.97 -0.17 0.00 0.00 0.00 0.00 61.98 59.79 2dmc s VAL 27 Cb -0.15 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2dmc s VAL 27 CO 0.04 -0.81 0.46 -0.54 0.00 0.00 0.00 175.10 174.25 2dmc s LYS 28 N -3.82 3.93 0.04 2.72 -0.14 -1.26 -4.15 119.74 117.06 2dmc s LYS 28 Ca 0.14 0.09 -0.31 0.00 -1.36 0.00 0.00 55.97 54.53 2dmc s LYS 28 Cb 0.05 -3.69 -0.06 0.00 -1.68 0.00 0.00 37.83 32.44 2dmc s LYS 28 CO -0.03 -0.40 1.41 -1.17 -0.76 0.00 0.00 175.35 174.40 2dmc s LEU 29 N 2.24 4.34 0.00 3.17 2.96 -1.26 -2.54 118.68 127.59 2dmc s LEU 29 Ca 0.18 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.29 2dmc s LEU 29 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.97 2dmc s LEU 29 CO 0.10 -0.71 0.00 0.61 -1.32 0.00 0.00 176.35 175.04 2dmc n GLY 30 N 3.62 0.81 3.21 7.98 0.00 -0.95 -5.02 105.19 114.83 2dmc n GLY 30 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.06 1.20 -0.44 1.61 0.15 -1.05 -5.02 113.70 108.08 2dmc s SER 31 Ca 0.00 -1.10 -0.21 0.00 0.70 0.00 0.00 55.95 55.34 2dmc s SER 31 Cb 0.00 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2dmc s SER 31 CO 0.00 -0.52 0.64 0.00 1.20 0.00 0.00 173.24 174.56 2dmc s ALA 32 N -3.64 3.35 0.08 5.45 0.00 -1.26 -4.03 121.76 121.71 2dmc s ALA 32 Ca 0.19 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2dmc s ALA 32 Cb 0.06 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 2dmc s ALA 32 CO 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 175.76 173.91 2dmc s ALA 33 N 2.80 3.04 0.05 0.00 0.00 -1.20 -4.94 121.76 121.50 2dmc s ALA 33 Ca 0.22 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 2dmc s ALA 33 Cb -0.14 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2dmc s ALA 33 CO 0.19 0.65 0.33 -0.51 0.00 0.00 0.00 175.76 176.41 2dmc s ASP 34 N -2.03 6.55 -0.23 0.00 1.01 -1.26 -3.43 116.67 117.28 2dmc s ASP 34 Ca 0.21 0.65 0.02 0.00 0.71 0.00 0.00 52.55 54.14 2dmc s ASP 34 Cb -0.11 -2.12 0.05 0.00 1.01 0.00 0.00 42.92 41.74 2dmc s ASP 34 CO 0.13 0.20 -0.13 -0.36 0.21 0.00 0.00 175.17 175.22 2dmc s PHE 35 N -1.37 2.96 -0.42 4.23 0.40 -0.69 -4.99 117.98 118.11 2dmc s PHE 35 Ca 0.31 -2.00 -0.25 0.00 -0.60 0.00 0.00 56.93 54.39 2dmc s PHE 35 Cb -0.13 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.55 2dmc s PHE 35 CO 0.18 -0.83 0.90 -1.17 0.70 0.00 0.00 175.22 174.99 2dmc s LEU 36 N 1.21 4.03 -0.05 -0.37 2.96 -1.26 -2.80 118.68 122.40 2dmc s LEU 36 Ca -0.04 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2dmc s LEU 36 Cb -0.17 -3.18 0.00 0.00 0.50 0.00 0.00 46.19 43.34 2dmc s LEU 36 CO -0.08 -0.94 -0.14 -1.48 -1.32 0.00 0.00 176.35 172.39 2dmc s LEU 37 N 3.56 1.79 -0.64 -0.68 2.34 -1.18 -5.05 118.68 118.83 2dmc s LEU 37 Ca 0.36 -0.30 -0.24 0.00 0.06 0.00 0.00 54.13 54.01 2dmc s LEU 37 Cb -0.11 -0.84 0.05 0.00 -0.56 0.00 0.00 46.19 44.73 2dmc s LEU 37 CO 0.23 0.09 1.02 -1.81 -1.06 0.00 0.00 176.35 174.81 2dmc s ASP 38 N 0.31 6.23 -0.02 1.48 1.11 -1.26 -4.46 116.67 120.06 2dmc s ASP 38 Ca -0.08 -0.67 0.04 0.00 0.18 0.00 0.00 52.55 52.01 2dmc s ASP 38 Cb -0.13 -2.45 -0.00 0.00 1.07 0.00 0.00 42.92 41.41 2dmc s ASP 38 CO 0.03 -1.45 -0.13 0.27 1.18 0.00 0.00 175.17 175.07 2dmc s ILE 39 N 4.34 1.03 0.00 0.77 -4.36 -1.26 -5.03 121.20 116.70 2dmc s ILE 39 Ca 0.27 -0.53 -0.04 0.00 -0.26 0.00 0.00 60.65 60.10 2dmc s ILE 39 Cb -0.14 -0.88 -0.16 0.00 1.25 0.00 0.00 42.46 42.53 2dmc s ILE 39 CO 0.14 0.30 2.82 -1.20 0.24 0.00 0.00 174.94 177.25 2dmc n SER 40 N 2.99 4.83 -3.86 4.36 7.64 -1.26 -4.75 113.62 123.57 2dmc n SER 40 Ca -0.16 -2.36 -0.24 0.00 1.01 0.00 0.00 58.87 57.12 2dmc n SER 40 Cb 0.55 -1.21 -0.17 0.00 -1.01 0.00 0.00 64.21 62.37 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 0.82 1.08 0.00 1.43 2.02 -1.26 -5.05 118.70 117.73 2dmc s GLU 41 Ca 0.40 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.29 2dmc s GLU 41 Cb 0.19 -1.23 0.00 0.00 0.10 0.00 0.00 34.13 33.19 2dmc s GLU 41 CO 0.00 -0.24 0.00 2.41 0.02 0.00 0.00 175.26 177.45 2dmc n THR 42 N 4.83 0.00 -1.03 3.63 -1.04 -1.26 -4.92 114.28 114.48 2dmc n THR 42 Ca -0.13 0.39 -0.47 0.00 -2.04 0.00 0.00 64.05 61.80 2dmc n THR 42 Cb 0.50 -1.38 -0.10 0.00 -1.82 0.00 0.00 70.33 67.53 2dmc n THR 42 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2dmc n ASP 43 N -2.25 0.57 0.13 8.00 9.92 -1.26 -4.82 116.55 126.83 2dmc n ASP 43 Ca 0.00 0.51 -0.07 0.00 -0.53 0.00 0.00 54.79 54.70 2dmc n ASP 43 Cb 0.00 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 39.72 2dmc n ASP 43 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2dmc h LEU 44 N 7.52 -0.35 -0.93 0.64 4.07 -1.92 -3.19 115.31 121.16 2dmc h LEU 44 Ca -0.08 -0.01 0.25 0.00 0.08 0.00 0.00 57.88 58.12 2dmc h LEU 44 Cb 1.14 0.09 -0.13 0.00 1.08 0.00 0.00 40.66 42.83 2dmc h LEU 44 CO 0.91 0.11 0.43 0.77 -1.08 0.00 0.00 178.44 179.58 2dmc h SER 45 N -1.10 0.37 -0.49 -0.43 4.64 -1.97 0.65 113.55 115.22 2dmc h SER 45 Ca -0.04 0.17 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 2dmc h SER 45 Cb 0.33 0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 2dmc h SER 45 CO 0.07 -0.03 0.33 0.28 -0.87 0.00 0.00 176.83 176.60 2dmc h SER 46 N 0.38 0.38 -3.26 4.97 0.02 -1.95 -3.42 113.55 110.67 2dmc h SER 46 Ca 0.61 -0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 61.09 2dmc h SER 46 Cb 1.21 -0.08 0.05 0.00 0.14 0.00 0.00 62.40 63.72 2dmc h SER 46 CO -0.56 0.25 0.08 -0.76 -1.14 0.00 0.00 176.83 174.70 2dmc s LEU 47 N -9.37 3.31 0.15 5.07 1.43 0.23 -2.05 118.68 117.44 2dmc s LEU 47 Ca -0.08 0.47 0.09 0.00 -1.03 0.00 0.00 54.13 53.58 2dmc s LEU 47 Cb 0.19 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2dmc s LEU 47 CO 0.74 -1.03 -0.14 -0.89 0.23 0.00 0.00 176.35 175.26 2dmc s THR 48 N -2.87 3.01 -0.15 5.49 2.01 0.16 -4.90 115.64 118.39 2dmc s THR 48 Ca 0.53 -1.59 -0.00 0.00 0.31 0.00 0.00 61.69 60.94 2dmc s THR 48 Cb -0.10 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 70.00 2dmc s THR 48 CO 0.42 -0.01 -0.08 0.00 -0.69 0.00 0.00 174.62 174.27 2dmc s ALA 49 N -1.44 1.53 -0.15 7.40 0.00 -1.26 -3.90 121.76 123.95 2dmc s ALA 49 Ca 0.22 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 2dmc s ALA 49 Cb -0.10 -1.06 0.04 0.00 0.00 0.00 0.00 23.12 22.01 2dmc s ALA 49 CO 0.13 -0.61 0.45 0.45 0.00 0.00 0.00 175.76 176.17 2dmc s SER 50 N 1.61 -0.45 -0.08 0.00 0.15 -1.03 -4.87 113.70 109.03 2dmc s SER 50 Ca 0.02 0.81 -0.06 0.00 0.70 0.00 0.00 55.95 57.42 2dmc s SER 50 Cb -0.14 0.84 0.03 0.00 -1.71 0.00 0.00 66.02 65.03 2dmc s SER 50 CO -0.08 -0.22 0.20 -0.63 1.20 0.00 0.00 173.24 173.71 2dmc s ILE 51 N -0.02 -0.02 -0.03 6.45 1.01 -1.26 0.43 121.20 127.76 2dmc s ILE 51 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2dmc s ILE 51 Cb -0.03 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 42.16 2dmc s ILE 51 CO 0.02 0.02 -0.01 -0.75 0.00 0.00 0.00 174.94 174.22 2dmc s LYS 52 N 0.53 0.40 0.96 2.79 2.47 -1.23 -2.23 119.74 123.43 2dmc s LYS 52 Ca -0.04 0.04 -0.12 0.00 -1.56 0.00 0.00 55.97 54.30 2dmc s LYS 52 Cb -0.05 -0.55 0.16 0.00 -1.46 0.00 0.00 37.83 35.93 2dmc s LYS 52 CO -0.03 -0.13 1.10 0.00 0.16 0.00 0.00 175.35 176.46 2dmc s ALA 53 N 1.01 1.25 -0.62 3.13 0.00 -0.64 -3.89 121.76 122.00 2dmc s ALA 53 Ca -0.10 -0.32 0.21 0.00 0.00 0.00 0.00 51.96 51.75 2dmc s ALA 53 Cb -0.14 -3.12 0.88 0.00 0.00 0.00 0.00 23.12 20.74 2dmc s ALA 53 CO -0.01 -2.61 1.64 -0.35 0.00 0.00 0.00 175.76 174.42 2dmc n PRO 54 N -4.03 0.14 -0.42 0.00 -0.04 -1.26 -2.05 135.00 127.35 2dmc n PRO 54 Ca 0.06 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 2dmc n PRO 54 Cb 0.57 -1.77 0.31 0.00 -0.04 0.00 0.00 33.50 32.58 2dmc n PRO 54 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dmc n SER 55 N -2.03 3.93 -0.55 3.54 7.64 -1.26 -4.91 113.62 119.97 2dmc n SER 55 Ca 0.02 -2.12 -0.06 0.00 1.01 0.00 0.00 58.87 57.73 2dmc n SER 55 Cb 0.21 -0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.46 0.50 3.38 0.23 0.00 -0.87 -5.01 105.19 104.88 2dmc n GLY 56 Ca 0.23 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2dmc n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmc s ARG 57 N -3.34 2.82 0.62 1.61 1.81 -1.26 -4.89 118.95 116.33 2dmc s ARG 57 Ca 0.00 -1.13 -0.18 0.00 -1.72 0.00 0.00 55.73 52.70 2dmc s ARG 57 Cb 0.00 -3.80 -0.02 0.00 -0.45 0.00 0.00 34.95 30.68 2dmc s ARG 57 CO 0.00 -0.76 1.21 0.34 -0.68 0.00 0.00 175.30 175.42 2dmc s ASP 58 N 1.68 4.99 0.03 0.23 -1.08 -1.26 -1.62 116.67 119.64 2dmc s ASP 58 Ca 0.03 2.40 0.04 0.00 -0.52 0.00 0.00 52.55 54.50 2dmc s ASP 58 Cb -0.20 -2.60 -0.02 0.00 -1.46 0.00 0.00 42.92 38.65 2dmc s ASP 58 CO 0.07 -1.73 -0.13 -1.61 0.52 0.00 0.00 175.17 172.29 2dmc s GLU 59 N -3.44 0.93 -0.27 4.34 0.41 -0.95 -4.89 118.70 114.82 2dmc s GLU 59 Ca 0.77 -0.68 -0.29 0.00 -0.41 0.00 0.00 54.97 54.37 2dmc s GLU 59 Cb -0.31 -0.92 -0.02 0.00 -1.78 0.00 0.00 34.13 31.10 2dmc s GLU 59 CO 0.36 0.23 1.65 -1.25 -0.49 0.00 0.00 175.26 175.76 2dmc s PRO 60 N -0.95 3.63 -0.02 0.39 0.04 -1.26 -4.40 135.00 132.43 2dmc s PRO 60 Ca 0.02 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.65 2dmc s PRO 60 Cb -0.07 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 2dmc s PRO 60 CO 0.01 -1.49 -0.25 0.00 0.04 0.00 0.00 177.00 175.30 2dmc s LEU 62 N -0.65 0.46 0.05 0.00 1.98 0.57 -4.89 118.68 116.20 2dmc s LEU 62 Ca 0.10 0.03 -0.28 0.00 -2.89 0.00 0.00 54.13 51.09 2dmc s LEU 62 Cb -0.10 -0.21 -0.05 0.00 0.66 0.00 0.00 46.19 46.49 2dmc s LEU 62 CO -0.01 -0.21 0.87 -0.76 -1.89 0.00 0.00 176.35 174.36 2dmc s LEU 63 N 1.87 4.44 0.06 -0.68 1.43 -1.26 -1.79 118.68 122.75 2dmc s LEU 63 Ca 0.02 1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 54.64 2dmc s LEU 63 Cb -0.12 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 2dmc s LEU 63 CO -0.03 -0.07 0.13 -1.59 0.23 0.00 0.00 176.35 175.02 2dmc s LYS 64 N 0.21 0.73 0.03 1.70 -2.85 -1.18 -5.01 119.74 113.38 2dmc s LYS 64 Ca 0.44 -0.92 -0.25 0.00 -1.00 0.00 0.00 55.97 54.24 2dmc s LYS 64 Cb -0.21 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 2dmc s LYS 64 CO 0.26 -0.21 0.75 0.50 0.10 0.00 0.00 175.35 176.76 2dmc s ARG 65 N -3.45 4.48 0.16 1.78 6.06 -1.26 -3.24 118.95 123.48 2dmc s ARG 65 Ca 0.02 1.03 0.04 0.00 -2.50 0.00 0.00 55.73 54.33 2dmc s ARG 65 Cb 0.03 -3.37 -0.04 0.00 0.06 0.00 0.00 34.95 31.64 2dmc s ARG 65 CO -0.09 0.27 0.18 -0.51 -2.50 0.00 0.00 175.30 172.65 2dmc s LEU 66 N -0.01 3.96 0.87 -0.88 1.43 0.22 -4.91 118.68 119.36 2dmc s LEU 66 Ca 0.38 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 2dmc s LEU 66 Cb -0.20 -2.56 0.11 0.00 0.03 0.00 0.00 46.19 43.57 2dmc s LEU 66 CO 0.22 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 2dmc s PRO 67 N -3.11 1.46 -0.58 1.29 0.04 -1.26 -2.74 135.00 130.10 2dmc s PRO 67 Ca 0.32 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 2dmc s PRO 67 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2dmc s PRO 67 CO 0.25 -2.12 0.16 0.09 0.04 0.00 0.00 177.00 175.41 2dmc n ASN 68 N -3.81 -3.05 -3.78 6.66 3.02 -1.26 -3.23 115.26 109.81 2dmc n ASN 68 Ca 0.07 -0.07 -0.27 0.00 -0.03 0.00 0.00 54.58 54.28 2dmc n ASN 68 Cb 0.55 -2.08 0.05 0.00 -0.61 0.00 0.00 39.78 37.68 2dmc n ASN 68 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dmc n ASN 69 N 0.33 -4.92 -4.45 6.41 4.13 -1.26 -4.98 115.26 110.52 2dmc n ASN 69 Ca -0.05 -0.70 -0.22 0.00 1.68 0.00 0.00 54.58 55.29 2dmc n ASN 69 Cb 0.55 -4.32 -0.11 0.00 -1.54 0.00 0.00 39.78 34.36 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 1.98 -0.00 3.10 3.76 -1.11 -5.06 115.29 114.62 2dmc s HIS 70 Ca 0.56 -0.87 -0.05 0.00 -0.15 0.00 0.00 55.06 54.55 2dmc s HIS 70 Cb -0.27 -1.26 -0.00 0.00 1.11 0.00 0.00 32.58 32.16 2dmc s HIS 70 CO 0.79 0.11 0.10 0.42 -0.85 0.00 0.00 174.74 175.31 2dmc s ILE 71 N -3.18 0.08 0.18 0.60 1.01 -1.26 -0.61 121.20 118.01 2dmc s ILE 71 Ca 0.34 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 2dmc s ILE 71 Cb 0.07 -0.36 0.04 0.00 0.01 0.00 0.00 42.46 42.23 2dmc s ILE 71 CO 0.14 -0.35 0.53 -0.83 0.00 0.00 0.00 174.94 174.43 2dmc s GLY 72 N -1.20 -0.28 0.12 6.18 0.00 -1.20 -3.07 107.32 107.86 2dmc s GLY 72 Ca -0.13 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.64 2dmc s GLY 72 CO 0.01 -0.14 0.13 -1.50 0.00 0.00 0.00 173.10 171.60 2dmc s ILE 73 N -3.83 4.68 -0.09 0.90 2.07 -1.12 -3.10 121.20 120.70 2dmc s ILE 73 Ca 0.06 -0.84 0.02 0.00 -1.41 0.00 0.00 60.65 58.48 2dmc s ILE 73 Cb -0.01 -3.32 0.01 0.00 0.13 0.00 0.00 42.46 39.27 2dmc s ILE 73 CO -0.07 0.02 -0.14 -0.55 -1.91 0.00 0.00 174.94 172.29 2dmc s SER 74 N -2.75 2.20 0.03 4.50 0.15 -0.74 -1.70 113.70 115.38 2dmc s SER 74 Ca 0.31 -0.37 -0.26 0.00 0.70 0.00 0.00 55.95 56.33 2dmc s SER 74 Cb -0.11 -0.98 0.06 0.00 -1.71 0.00 0.00 66.02 63.28 2dmc s SER 74 CO 0.24 0.01 0.60 0.72 1.20 0.00 0.00 173.24 176.01 2dmc s PHE 75 N 0.93 -0.54 -0.45 3.44 -0.71 -1.22 -0.32 117.98 119.11 2dmc s PHE 75 Ca -0.09 0.72 -0.14 0.00 -1.04 0.00 0.00 56.93 56.39 2dmc s PHE 75 Cb -0.15 0.41 0.07 0.00 -1.21 0.00 0.00 43.02 42.14 2dmc s PHE 75 CO -0.00 -0.67 0.35 0.42 -1.34 0.00 0.00 175.22 173.99 2dmc s ILE 76 N -2.15 4.94 -0.10 -4.49 1.01 -1.19 -3.27 121.20 115.95 2dmc s ILE 76 Ca -0.07 -1.14 -0.29 0.00 0.00 0.00 0.00 60.65 59.15 2dmc s ILE 76 Cb -0.01 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2dmc s ILE 76 CO 0.01 -0.54 1.53 -2.16 0.00 0.00 0.00 174.94 173.77 2dmc s PRO 77 N 1.58 4.17 0.04 2.79 0.04 -1.26 -4.56 135.00 137.81 2dmc s PRO 77 Ca 0.04 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.12 2dmc s PRO 77 Cb -0.24 -3.92 -0.23 0.00 0.04 0.00 0.00 34.50 30.15 2dmc s PRO 77 CO 0.05 -0.83 0.99 0.00 0.04 0.00 0.00 177.00 177.25 2dmc h ARG 78 N 9.19 0.07 -5.47 4.56 2.47 -1.93 -2.53 114.38 120.74 2dmc h ARG 78 Ca -0.35 -0.11 -0.64 0.00 -1.26 0.00 0.00 59.98 57.61 2dmc h ARG 78 Cb 1.15 0.04 -0.10 0.00 -1.65 0.00 0.00 29.97 29.42 2dmc h ARG 78 CO 0.96 0.88 -0.43 -1.21 0.56 0.00 0.00 179.97 180.74 2dmc s GLU 79 N -2.65 2.22 0.00 0.04 0.41 -1.26 -4.82 118.70 112.65 2dmc s GLU 79 Ca -0.03 -2.26 0.06 0.00 -0.41 0.00 0.00 54.97 52.33 2dmc s GLU 79 Cb 0.09 -1.75 -0.02 0.00 -1.78 0.00 0.00 34.13 30.66 2dmc s GLU 79 CO 0.83 -0.48 -0.20 0.14 -0.49 0.00 0.00 175.26 175.06 2dmc s VAL 80 N -2.84 1.55 0.00 2.63 -7.23 -1.26 -4.80 120.40 108.44 2dmc s VAL 80 Ca 0.16 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2dmc s VAL 80 Cb -0.00 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.63 2dmc s VAL 80 CO 0.10 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 2dmc n GLY 81 N 2.39 0.22 3.26 2.32 0.00 0.31 -4.95 105.19 108.74 2dmc n GLY 81 Ca -0.16 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.78 2.77 0.10 1.61 2.12 -1.26 -1.00 118.70 121.26 2dmc s GLU 82 Ca 0.00 -1.77 -0.17 0.00 0.36 0.00 0.00 54.97 53.39 2dmc s GLU 82 Cb 0.00 -4.13 -0.07 0.00 0.26 0.00 0.00 34.13 30.19 2dmc s GLU 82 CO 0.00 -1.27 0.56 -1.01 -0.54 0.00 0.00 175.26 173.00 2dmc s HIS 83 N 1.44 3.72 -0.24 5.30 3.76 -0.40 -4.54 115.29 124.33 2dmc s HIS 83 Ca 0.05 1.18 -0.02 0.00 -0.15 0.00 0.00 55.06 56.12 2dmc s HIS 83 Cb -0.28 -2.44 0.02 0.00 1.11 0.00 0.00 32.58 30.99 2dmc s HIS 83 CO 0.01 0.52 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.84 2dmc s LEU 84 N -1.46 3.04 -0.39 0.89 1.43 -1.25 -1.58 118.68 119.36 2dmc s LEU 84 Ca 0.32 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 2dmc s LEU 84 Cb -0.18 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2dmc s LEU 84 CO 0.19 -0.10 0.57 -0.69 0.23 0.00 0.00 176.35 176.55 2dmc s VAL 85 N 1.35 4.94 -0.48 -1.59 1.01 0.33 -3.49 120.40 122.48 2dmc s VAL 85 Ca 0.02 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 2dmc s VAL 85 Cb -0.16 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2dmc s VAL 85 CO -0.05 -0.38 1.08 -0.44 0.00 0.00 0.00 175.10 175.31 2dmc s SER 86 N 1.85 6.58 -0.21 3.32 0.01 0.17 -0.00 113.70 125.42 2dmc s SER 86 Ca 0.20 0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.81 2dmc s SER 86 Cb -0.15 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.60 2dmc s SER 86 CO 0.15 -1.21 -0.12 -0.63 0.41 0.00 0.00 173.24 171.84 2dmc s ILE 87 N 4.29 1.82 0.37 1.44 -1.09 -1.26 -2.45 121.20 124.32 2dmc s ILE 87 Ca 0.45 -1.10 0.03 0.00 -2.23 0.00 0.00 60.65 57.80 2dmc s ILE 87 Cb -0.08 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 2dmc s ILE 87 CO 0.30 0.21 0.10 -0.54 -1.23 0.00 0.00 174.94 173.78 2dmc s LYS 88 N 1.32 1.81 -0.26 2.79 1.02 -1.25 -1.70 119.74 123.47 2dmc s LYS 88 Ca -0.01 -2.07 -0.00 0.00 0.02 0.00 0.00 55.97 53.91 2dmc s LYS 88 Cb -0.16 -0.68 0.07 0.00 -0.52 0.00 0.00 37.83 36.54 2dmc s LYS 88 CO -0.09 -0.37 0.01 0.21 -0.92 0.00 0.00 175.35 174.20 2dmc s LYS 89 N -3.80 1.18 -1.88 1.68 2.20 0.55 0.35 119.74 120.02 2dmc s LYS 89 Ca 0.28 -0.99 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2dmc s LYS 89 Cb 0.05 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 2dmc s LYS 89 CO 0.14 -0.74 0.00 0.09 -0.36 0.00 0.00 175.35 174.48 2dmc n ASN 90 N 4.75 -5.61 0.00 1.43 3.02 -0.87 -1.55 115.26 116.42 2dmc n ASN 90 Ca -0.07 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2dmc n ASN 90 Cb 0.44 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 -0.81 0.91 2.78 7.41 0.00 -1.26 -5.06 105.19 109.16 2dmc n GLY 91 Ca -0.22 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.08 3.93 0.22 1.61 0.01 -0.60 -5.09 114.94 112.94 2dmc s ASN 92 Ca 0.00 -1.53 -0.18 0.00 -0.71 0.00 0.00 52.86 50.44 2dmc s ASN 92 Cb 0.00 -0.93 -0.12 0.00 0.41 0.00 0.00 41.25 40.61 2dmc s ASN 92 CO 0.00 -0.38 0.21 1.41 -1.51 0.00 0.00 177.10 176.84 2dmc n HIS 93 N 4.80 -0.98 -3.29 2.20 8.25 -1.26 -0.33 115.22 124.61 2dmc n HIS 93 Ca -0.03 0.58 -0.17 0.00 -0.26 0.00 0.00 57.72 57.84 2dmc n HIS 93 Cb 0.43 -1.36 0.03 0.00 1.12 0.00 0.00 29.99 30.21 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 -0.39 0.00 -2.41 1.59 0.24 -0.69 -4.62 118.33 112.06 2dmc n VAL 94 Ca 0.11 -1.54 -0.37 0.00 -2.04 0.00 0.00 64.34 60.49 2dmc n VAL 94 Cb 0.24 -0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 32.12 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 -2.56 3.08 -1.48 2.33 0.00 -1.26 -3.10 121.76 118.79 2dmc s ALA 95 Ca 0.39 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2dmc s ALA 95 Cb -0.03 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2dmc s ALA 95 CO 0.25 -0.40 0.00 0.09 0.00 0.00 0.00 175.76 175.70 2dmc n ASN 96 N -0.10 -4.74 -4.19 0.00 3.02 -1.26 -4.99 115.26 103.00 2dmc n ASN 96 Ca 0.05 0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.56 2dmc n ASN 96 Cb 0.48 -3.74 -0.14 0.00 -0.61 0.00 0.00 39.78 35.78 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 -2.57 2.01 0.49 6.41 0.15 -1.18 -3.22 113.70 115.80 2dmc s SER 97 Ca 0.00 -0.48 -0.21 0.00 0.70 0.00 0.00 55.95 55.96 2dmc s SER 97 Cb 0.00 -0.15 -0.07 0.00 -1.71 0.00 0.00 66.02 64.09 2dmc s SER 97 CO 0.00 0.09 1.15 -2.16 1.20 0.00 0.00 173.24 173.52 2dmc s PRO 98 N -1.12 3.59 0.05 5.44 0.04 -1.26 -4.80 135.00 136.94 2dmc s PRO 98 Ca 0.04 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 2dmc s PRO 98 Cb -0.08 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 2dmc s PRO 98 CO 0.01 -0.67 1.17 0.08 0.04 0.00 0.00 177.00 177.63 2dmc s VAL 99 N -1.64 4.17 -0.21 -0.36 1.01 0.99 -4.73 120.40 119.62 2dmc s VAL 99 Ca 0.67 1.55 -0.19 0.00 0.00 0.00 0.00 61.98 64.01 2dmc s VAL 99 Cb -0.26 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2dmc s VAL 99 CO 0.31 0.11 0.57 -0.94 0.00 0.00 0.00 175.10 175.15 2dmc s SER 100 N 1.08 6.58 0.06 3.32 1.04 -1.26 -0.51 113.70 124.01 2dmc s SER 100 Ca 0.58 0.71 0.07 0.00 0.48 0.00 0.00 55.95 57.78 2dmc s SER 100 Cb -0.28 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 2dmc s SER 100 CO 0.29 -0.25 -0.19 -0.63 0.98 0.00 0.00 173.24 173.43 2dmc s ILE 101 N 1.93 1.57 -0.18 -1.02 1.01 -0.62 -5.02 121.20 118.87 2dmc s ILE 101 Ca 0.25 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 2dmc s ILE 101 Cb -0.16 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2dmc s ILE 101 CO 0.10 0.10 -0.02 -0.32 0.00 0.00 0.00 174.94 174.80 2dmc s MET 102 N -1.35 3.64 -0.00 2.79 -2.45 -1.26 -1.27 119.30 119.38 2dmc s MET 102 Ca 0.06 -0.52 0.08 0.00 -1.25 0.00 0.00 55.69 54.06 2dmc s MET 102 Cb -0.09 -3.00 -0.02 0.00 1.25 0.00 0.00 34.83 32.97 2dmc s MET 102 CO 0.02 0.12 -0.26 0.08 1.05 0.00 0.00 175.02 176.03 2dmc s VAL 103 N 0.70 2.05 0.07 10.11 1.01 -0.17 -4.15 120.40 130.01 2dmc s VAL 103 Ca -0.01 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 2dmc s VAL 103 Cb -0.14 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.56 2dmc s VAL 103 CO 0.02 0.52 0.44 0.68 0.00 0.00 0.00 175.10 176.77 2dmc s VAL 104 N -0.65 0.05 0.01 2.92 -7.23 -1.26 -0.53 120.40 113.71 2dmc s VAL 104 Ca 0.10 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 2dmc s VAL 104 Cb -0.10 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2dmc s VAL 104 CO -0.00 -0.23 1.12 -1.10 -0.31 0.00 0.00 175.10 174.57 2dmc s GLN 105 N -2.83 4.46 -0.02 4.82 -0.21 -1.26 -4.36 119.66 120.26 2dmc s GLN 105 Ca -0.03 1.63 -0.20 0.00 0.02 0.00 0.00 55.36 56.78 2dmc s GLN 105 Cb -0.00 -3.43 -0.30 0.00 1.00 0.00 0.00 33.01 30.28 2dmc s GLN 105 CO -0.05 -0.23 0.97 0.66 -2.12 0.00 0.00 175.29 174.52 2dmc h SER 106 N 6.92 0.57 -3.27 5.90 4.64 -1.94 -3.44 113.55 122.93 2dmc h SER 106 Ca -0.40 -0.90 -0.66 0.00 -0.47 0.00 0.00 61.79 59.36 2dmc h SER 106 Cb 1.20 -0.18 -0.31 0.00 -0.31 0.00 0.00 62.40 62.80 2dmc h SER 106 CO 0.81 1.43 -0.80 -1.61 -0.87 0.00 0.00 176.83 175.78 2dmc s GLU 107 N -2.66 3.21 0.16 4.77 0.41 -1.26 -4.69 118.70 118.64 2dmc s GLU 107 Ca -0.12 -0.75 -0.29 0.00 -0.41 0.00 0.00 54.97 53.39 2dmc s GLU 107 Cb 0.02 -2.64 -0.04 0.00 -1.78 0.00 0.00 34.13 29.69 2dmc s GLU 107 CO 0.86 -0.02 1.55 0.82 -0.49 0.00 0.00 175.26 177.98 2dmc h ILE 108 N 5.69 0.02 0.00 -1.63 2.04 -2.01 -3.46 117.51 118.16 2dmc h ILE 108 Ca -0.34 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2dmc h ILE 108 Cb 1.18 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2dmc h ILE 108 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.34 2dmc n GLY 109 N -1.34 0.61 3.72 5.37 0.00 -1.26 -4.55 105.19 107.75 2dmc n GLY 109 Ca 0.01 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2dmc n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dmc s ASP 110 N 0.00 7.15 0.49 1.61 1.01 -1.26 -4.87 116.67 120.81 2dmc s ASP 110 Ca 0.00 1.39 -0.07 0.00 0.71 0.00 0.00 52.55 54.58 2dmc s ASP 110 Cb 0.00 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2dmc s ASP 110 CO 0.00 -0.12 0.82 -0.94 0.21 0.00 0.00 175.17 175.15 2dmc s SER 111 N 0.60 6.30 0.00 0.27 1.04 -1.26 -4.86 113.70 115.79 2dmc s SER 111 Ca 0.42 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.89 2dmc s SER 111 Cb -0.19 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2dmc s SER 111 CO 0.22 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2dmc n GLY 112 N -2.20 3.53 3.56 7.32 0.00 -1.26 -5.10 105.19 111.04 2dmc n GLY 112 Ca 0.02 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 1.22 2.72 0.80 1.61 0.04 -1.26 -4.97 135.00 135.16 2dmc s PRO 113 Ca 0.00 0.70 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 2dmc s PRO 113 Cb 0.00 -4.36 0.05 0.00 0.04 0.00 0.00 34.50 30.23 2dmc s PRO 113 CO 0.00 -2.62 0.98 0.43 0.04 0.00 0.00 177.00 175.84 2dmc n SER 114 N 12.41 0.28 -3.64 6.66 7.64 -1.26 -5.04 113.62 130.67 2dmc n SER 114 Ca 0.21 0.57 -0.08 0.00 1.01 0.00 0.00 58.87 60.57 2dmc n SER 114 Cb 0.51 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 62.23 2dmc n SER 114 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmc s SER 115 N -1.95 -0.76 0.00 6.43 0.15 -1.26 -5.31 113.70 111.00 2dmc s SER 115 Ca 0.70 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.65 2dmc s SER 115 Cb -0.30 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 2dmc s SER 115 CO 0.54 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.38