#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmb s SER 2 N 0.00 4.30 -0.14 1.61 0.15 -1.26 -5.05 113.70 113.30 2dmb s SER 2 Ca 0.00 -0.38 -0.28 0.00 0.70 0.00 0.00 55.95 55.99 2dmb s SER 2 Cb 0.00 -0.81 -0.25 0.00 -1.71 0.00 0.00 66.02 63.25 2dmb s SER 2 CO 0.00 0.20 0.72 0.77 1.20 0.00 0.00 173.24 176.13 2dmb h SER 3 N 3.85 0.00 0.00 5.45 4.64 -2.11 -3.41 113.55 121.97 2dmb h SER 3 Ca -0.49 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.89 2dmb h SER 3 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2dmb h SER 3 CO 0.51 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 2dmb n GLY 4 N 1.60 -3.34 3.59 -0.77 0.00 -1.26 -4.80 105.19 100.21 2dmb n GLY 4 Ca -0.11 0.52 -0.03 0.00 0.00 0.00 0.00 46.02 46.40 2dmb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmb s SER 5 N -2.70 -1.01 0.64 1.61 0.01 -1.26 -5.17 113.70 105.82 2dmb s SER 5 Ca 0.00 1.49 -0.03 0.00 1.31 0.00 0.00 55.95 58.71 2dmb s SER 5 Cb 0.00 2.10 0.05 0.00 0.21 0.00 0.00 66.02 68.38 2dmb s SER 5 CO 0.00 -0.22 0.92 -0.44 0.41 0.00 0.00 173.24 173.91 2dmb s SER 6 N 2.76 5.00 -1.05 2.44 0.01 -1.26 -4.93 113.70 116.67 2dmb s SER 6 Ca -0.06 0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.43 2dmb s SER 6 Cb -0.11 -1.02 0.29 0.00 0.21 0.00 0.00 66.02 65.39 2dmb s SER 6 CO -0.18 -1.42 1.31 0.61 0.41 0.00 0.00 173.24 173.98 2dmb n GLY 7 N -2.69 4.86 3.16 3.44 0.00 -1.26 -4.99 105.19 107.71 2dmb n GLY 7 Ca 0.08 -2.65 -0.24 0.00 0.00 0.00 0.00 46.02 43.21 2dmb n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmb s THR 8 N -2.33 1.34 -3.53 2.61 2.01 -1.26 -5.12 115.64 109.35 2dmb s THR 8 Ca 0.31 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2dmb s THR 8 Cb 0.01 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.39 2dmb s THR 8 CO 0.04 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 2dmb n GLY 9 N 2.50 -2.29 3.09 4.40 0.00 -1.26 -3.66 105.19 107.96 2dmb n GLY 9 Ca -0.15 -1.22 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 2dmb n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dmb s ASP 10 N -0.45 1.33 -0.23 1.61 1.01 0.46 -5.02 116.67 115.39 2dmb s ASP 10 Ca 0.00 -0.35 -0.17 0.00 0.71 0.00 0.00 52.55 52.75 2dmb s ASP 10 Cb 0.00 -0.10 -0.13 0.00 1.01 0.00 0.00 42.92 43.71 2dmb s ASP 10 CO 0.00 0.04 -0.14 0.00 0.21 0.00 0.00 175.17 175.28 2dmb n ALA 11 N 2.25 0.93 -0.51 5.23 0.00 -1.26 -4.24 120.51 122.90 2dmb n ALA 11 Ca -0.17 -0.78 0.42 0.00 0.00 0.00 0.00 53.44 52.91 2dmb n ALA 11 Cb 0.56 -0.13 0.70 0.00 0.00 0.00 0.00 19.45 20.58 2dmb n ALA 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dmb h SER 12 N -1.00 0.17 -0.46 0.00 4.64 -1.93 1.36 113.55 116.32 2dmb h SER 12 Ca -0.41 0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2dmb h SER 12 Cb 1.30 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.50 2dmb h SER 12 CO -0.25 -0.19 0.01 0.11 -0.87 0.00 0.00 176.83 175.64 2dmb h LYS 13 N 0.02 0.80 -6.51 4.77 1.79 -1.96 -3.45 116.57 112.03 2dmb h LYS 13 Ca 0.88 -0.25 -0.46 0.00 -2.18 0.00 0.00 60.65 58.64 2dmb h LYS 13 Cb 2.95 -0.08 0.24 0.00 -1.58 0.00 0.00 32.23 33.77 2dmb h LYS 13 CO -0.37 0.85 -1.49 0.00 -1.08 0.00 0.00 179.45 177.36 2dmb s LEU 15 N 0.90 1.73 -0.18 0.00 1.02 -1.04 -5.05 118.68 116.06 2dmb s LEU 15 Ca 0.51 -0.68 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 2dmb s LEU 15 Cb -0.06 0.76 0.05 0.00 0.02 0.00 0.00 46.19 46.95 2dmb s LEU 15 CO 0.66 -0.64 -0.03 0.00 0.02 0.00 0.00 176.35 176.36 2dmb s ALA 16 N -3.52 1.43 -0.14 4.21 0.00 -1.26 -2.32 121.76 120.15 2dmb s ALA 16 Ca 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2dmb s ALA 16 Cb 0.04 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 22.00 2dmb s ALA 16 CO -0.09 -0.94 -0.15 0.95 0.00 0.00 0.00 175.76 175.53 2dmb s THR 17 N 1.65 1.63 0.00 0.00 -4.23 -1.10 -5.03 115.64 108.56 2dmb s THR 17 Ca -0.01 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2dmb s THR 17 Cb -0.16 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2dmb s THR 17 CO -0.07 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 2dmb n GLY 18 N 4.61 1.29 0.22 3.99 0.00 -1.26 -2.36 105.19 111.68 2dmb n GLY 18 Ca -0.18 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.28 2dmb n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmb h PRO 19 N 0.00 0.00 -0.50 1.61 0.13 -1.97 -3.14 132.00 128.13 2dmb h PRO 19 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2dmb h PRO 19 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dmb h PRO 19 CO 0.00 0.25 0.05 0.78 -0.23 0.00 0.00 178.00 178.85 2dmb h GLY 20 N 1.70 0.92 -1.84 1.56 0.00 -1.90 -2.55 103.07 100.95 2dmb h GLY 20 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2dmb h GLY 20 CO 0.03 0.59 0.03 0.29 0.00 0.00 0.00 176.54 177.48 2dmb n ILE 21 N -4.38 0.90 -2.33 2.60 -5.35 -1.18 -4.90 119.36 104.72 2dmb n ILE 21 Ca 0.01 -0.40 -0.41 0.00 -0.27 0.00 0.00 62.75 61.68 2dmb n ILE 21 Cb 0.28 -0.51 -0.03 0.00 -1.74 0.00 0.00 39.64 37.63 2dmb n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dmb s ALA 22 N -1.38 3.46 0.28 -1.28 0.00 -0.96 -4.88 121.76 117.00 2dmb s ALA 22 Ca 0.15 1.01 0.13 0.00 0.00 0.00 0.00 51.96 53.24 2dmb s ALA 22 Cb 0.12 -3.43 0.95 0.00 0.00 0.00 0.00 23.12 20.76 2dmb s ALA 22 CO 0.04 -0.41 1.26 -1.13 0.00 0.00 0.00 175.76 175.52 2dmb n SER 23 N 2.25 0.18 -3.72 0.00 3.41 -1.26 -4.04 113.62 110.44 2dmb n SER 23 Ca 0.04 1.33 -0.16 0.00 -0.26 0.00 0.00 58.87 59.82 2dmb n SER 23 Cb 0.44 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.62 2dmb n SER 23 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2dmb s THR 24 N -5.35 -0.10 0.28 6.66 -4.23 -1.26 -2.11 115.64 109.53 2dmb s THR 24 Ca -0.08 0.29 0.11 0.00 -1.18 0.00 0.00 61.69 60.83 2dmb s THR 24 Cb 0.26 -0.16 -0.05 0.00 1.34 0.00 0.00 72.50 73.89 2dmb s THR 24 CO 0.62 0.12 -0.17 0.68 -0.54 0.00 0.00 174.62 175.33 2dmb s VAL 25 N 1.59 2.31 -0.02 2.29 -7.23 -0.70 -4.97 120.40 113.67 2dmb s VAL 25 Ca -0.03 -2.34 -0.18 0.00 -1.81 0.00 0.00 61.98 57.61 2dmb s VAL 25 Cb -0.12 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2dmb s VAL 25 CO -0.04 -0.39 0.52 -0.54 -0.31 0.00 0.00 175.10 174.34 2dmb s LYS 26 N -3.55 4.22 0.60 4.82 3.01 -1.26 -0.59 119.74 127.00 2dmb s LYS 26 Ca 0.29 0.59 -0.19 0.00 -1.01 0.00 0.00 55.97 55.66 2dmb s LYS 26 Cb -0.03 -3.33 -0.03 0.00 -1.01 0.00 0.00 37.83 33.43 2dmb s LYS 26 CO 0.14 0.42 1.24 0.95 0.51 0.00 0.00 175.35 178.61 2dmb s THR 27 N -0.29 2.44 0.00 2.17 -4.23 -0.96 -3.01 115.64 111.77 2dmb s THR 27 Ca 0.28 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 2dmb s THR 27 Cb -0.17 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2dmb s THR 27 CO 0.15 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2dmb n GLY 28 N 0.63 1.42 3.72 3.99 0.00 0.21 -4.93 105.19 110.23 2dmb n GLY 28 Ca 0.14 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2dmb n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dmb n GLU 29 N 0.00 2.53 -2.93 1.61 -0.58 -1.16 -4.61 120.64 115.49 2dmb n GLU 29 Ca 0.00 0.90 -0.43 0.00 -0.42 0.00 0.00 57.16 57.21 2dmb n GLU 29 Cb 0.00 -2.67 -0.05 0.00 -0.57 0.00 0.00 31.44 28.16 2dmb n GLU 29 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2dmb s GLU 30 N -0.15 3.37 0.66 3.49 -6.30 -1.26 -4.40 118.70 114.11 2dmb s GLU 30 Ca 0.67 -0.20 -0.04 0.00 -2.50 0.00 0.00 54.97 52.90 2dmb s GLU 30 Cb -0.54 -3.99 0.06 0.00 0.00 0.00 0.00 34.13 29.66 2dmb s GLU 30 CO 0.46 -1.25 0.94 0.14 0.02 0.00 0.00 175.26 175.58 2dmb s VAL 31 N 3.47 2.38 -0.29 3.70 -7.23 -1.15 -4.96 120.40 116.31 2dmb s VAL 31 Ca 0.29 -0.41 0.04 0.00 -1.81 0.00 0.00 61.98 60.09 2dmb s VAL 31 Cb -0.13 -2.97 0.20 0.00 0.56 0.00 0.00 36.38 34.04 2dmb s VAL 31 CO 0.21 0.00 0.64 -0.83 -0.31 0.00 0.00 175.10 174.81 2dmb s GLY 32 N -4.51 -1.23 0.16 2.32 0.00 -1.26 -3.32 107.32 99.47 2dmb s GLY 32 Ca 0.60 1.18 0.04 0.00 0.00 0.00 0.00 44.72 46.55 2dmb s GLY 32 CO 0.43 3.73 0.17 -0.11 0.00 0.00 0.00 173.10 177.32 2dmb s PHE 33 N 2.84 3.22 0.01 1.90 -0.71 -0.19 -4.29 117.98 120.76 2dmb s PHE 33 Ca 0.12 0.01 0.04 0.00 -1.04 0.00 0.00 56.93 56.06 2dmb s PHE 33 Cb -0.09 -1.55 -0.01 0.00 -1.21 0.00 0.00 43.02 40.16 2dmb s PHE 33 CO -0.26 0.52 -0.13 0.54 -1.34 0.00 0.00 175.22 174.56 2dmb s VAL 34 N -1.75 0.99 -0.24 -2.49 0.11 -0.99 -0.26 120.40 115.77 2dmb s VAL 34 Ca 0.32 -0.73 -0.16 0.00 -2.93 0.00 0.00 61.98 58.47 2dmb s VAL 34 Cb -0.10 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 2dmb s VAL 34 CO 0.24 0.13 0.43 -0.69 -3.33 0.00 0.00 175.10 171.88 2dmb s VAL 35 N -0.56 5.15 -0.08 2.04 1.01 -0.35 -2.73 120.40 124.87 2dmb s VAL 35 Ca 0.03 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 2dmb s VAL 35 Cb -0.06 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2dmb s VAL 35 CO 0.00 0.17 0.12 -0.62 0.00 0.00 0.00 175.10 174.77 2dmb s ASP 36 N 1.39 6.16 -0.08 3.32 -1.08 -0.98 -2.90 116.67 122.50 2dmb s ASP 36 Ca 0.19 0.37 0.01 0.00 -0.52 0.00 0.00 52.55 52.60 2dmb s ASP 36 Cb -0.15 -1.94 0.02 0.00 -1.46 0.00 0.00 42.92 39.39 2dmb s ASP 36 CO 0.09 0.37 -0.10 0.00 0.52 0.00 0.00 175.17 176.05 2dmb s ALA 37 N -1.08 1.22 -0.00 3.66 0.00 -1.26 -2.51 121.76 121.79 2dmb s ALA 37 Ca 0.18 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 2dmb s ALA 37 Cb -0.12 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 2dmb s ALA 37 CO 0.07 -0.07 -0.00 0.36 0.00 0.00 0.00 175.76 176.12 2dmb n LYS 38 N 4.20 0.00 -0.01 0.00 2.85 -1.26 -4.88 118.16 119.06 2dmb n LYS 38 Ca -0.20 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.07 2dmb n LYS 38 Cb 0.51 -0.59 -0.04 0.00 -0.65 0.00 0.00 35.03 34.27 2dmb n LYS 38 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2dmb n THR 39 N -2.92 0.10 -0.31 0.58 -2.24 -1.26 -4.69 114.28 103.54 2dmb n THR 39 Ca -0.00 -0.14 0.15 0.00 -2.27 0.00 0.00 64.05 61.78 2dmb n THR 39 Cb 0.50 -0.01 0.29 0.00 -2.10 0.00 0.00 70.33 69.01 2dmb n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmb n ALA 40 N -1.83 0.50 0.00 6.98 0.00 -1.26 -4.73 120.51 120.17 2dmb n ALA 40 Ca -0.03 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.37 2dmb n ALA 40 Cb 0.30 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2dmb n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmb n GLY 41 N -1.43 0.98 3.88 0.00 0.00 -1.26 -0.40 105.19 106.95 2dmb n GLY 41 Ca 0.22 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 2dmb n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmb s LYS 42 N 0.00 3.78 0.00 1.61 2.20 -1.24 -4.99 119.74 121.10 2dmb s LYS 42 Ca 0.00 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2dmb s LYS 42 Cb 0.00 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 2dmb s LYS 42 CO 0.00 0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.71 2dmb n GLY 43 N -0.22 3.92 3.97 5.54 0.00 -1.26 -4.39 105.19 112.75 2dmb n GLY 43 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 2dmb n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmb s LYS 44 N -2.70 3.15 -0.22 1.61 -0.14 -1.26 -4.71 119.74 115.47 2dmb s LYS 44 Ca 0.00 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 2dmb s LYS 44 Cb 0.00 -2.68 0.06 0.00 -1.68 0.00 0.00 37.83 33.52 2dmb s LYS 44 CO 0.00 -0.06 -0.04 0.08 -0.76 0.00 0.00 175.35 174.57 2dmb s VAL 45 N -2.36 1.34 -0.13 3.17 1.01 -1.26 -1.98 120.40 120.20 2dmb s VAL 45 Ca 0.45 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2dmb s VAL 45 Cb -0.10 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2dmb s VAL 45 CO 0.35 -0.09 0.06 0.42 0.00 0.00 0.00 175.10 175.84 2dmb s THR 46 N 1.49 4.80 0.07 3.92 -4.23 -1.23 -4.99 115.64 115.47 2dmb s THR 46 Ca -0.04 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.50 2dmb s THR 46 Cb -0.18 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 2dmb s THR 46 CO -0.07 0.57 -0.24 0.00 -0.54 0.00 0.00 174.62 174.34 2dmb s THR 48 N -0.93 -0.45 -0.27 0.00 2.01 -1.01 -4.70 115.64 110.29 2dmb s THR 48 Ca 0.10 -0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 2dmb s THR 48 Cb -0.10 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.70 2dmb s THR 48 CO 0.03 -0.15 0.87 -0.69 -0.69 0.00 0.00 174.62 174.00 2dmb s VAL 49 N 2.43 4.76 -0.22 3.82 1.01 -1.25 -1.95 120.40 128.99 2dmb s VAL 49 Ca 0.09 1.51 -0.07 0.00 0.00 0.00 0.00 61.98 63.51 2dmb s VAL 49 Cb -0.15 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2dmb s VAL 49 CO -0.13 -0.20 0.06 -0.22 0.00 0.00 0.00 175.10 174.61 2dmb s LEU 50 N 3.03 3.57 0.42 3.92 2.96 -0.19 -1.08 118.68 131.31 2dmb s LEU 50 Ca 0.36 -0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.96 2dmb s LEU 50 Cb -0.14 -1.93 -0.10 0.00 0.50 0.00 0.00 46.19 44.51 2dmb s LEU 50 CO 0.10 0.05 0.97 0.42 -1.32 0.00 0.00 176.35 176.57 2dmb s THR 51 N 1.10 4.23 -2.00 3.68 -4.23 0.53 -1.95 115.64 117.00 2dmb s THR 51 Ca 0.04 1.46 0.14 0.00 -1.18 0.00 0.00 61.69 62.15 2dmb s THR 51 Cb -0.14 -3.63 0.40 0.00 1.34 0.00 0.00 72.50 70.46 2dmb s THR 51 CO 0.03 -0.23 1.25 -0.81 -0.54 0.00 0.00 174.62 174.33 2dmb n PRO 52 N -0.51 0.49 0.05 3.99 -0.04 -1.23 -2.31 135.00 135.44 2dmb n PRO 52 Ca 0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 2dmb n PRO 52 Cb 0.53 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 2dmb n PRO 52 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dmb h ASP 53 N 0.00 0.00 0.00 3.54 3.32 -1.91 -3.47 116.42 117.90 2dmb h ASP 53 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dmb h ASP 53 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2dmb h ASP 53 CO 0.00 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 2dmb n GLY 54 N 1.38 1.86 3.24 2.75 0.00 -0.98 -5.14 105.19 108.31 2dmb n GLY 54 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2dmb n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmb s THR 55 N -2.00 1.19 0.09 2.61 -4.23 -1.25 -5.01 115.64 107.04 2dmb s THR 55 Ca 0.00 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 2dmb s THR 55 Cb 0.00 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 2dmb s THR 55 CO 0.00 -0.68 -0.04 -1.83 -0.54 0.00 0.00 174.62 171.53 2dmb s GLU 56 N -3.51 2.39 0.36 3.99 1.03 -1.26 -0.35 118.70 121.35 2dmb s GLU 56 Ca 0.15 -0.90 0.06 0.00 0.03 0.00 0.00 54.97 54.31 2dmb s GLU 56 Cb 0.01 -2.45 -0.07 0.00 -0.80 0.00 0.00 34.13 30.82 2dmb s GLU 56 CO 0.01 0.53 0.00 0.00 -1.33 0.00 0.00 175.26 174.47 2dmb s ALA 57 N -1.27 2.76 0.14 -0.84 0.00 -0.24 -4.95 121.76 117.36 2dmb s ALA 57 Ca 0.24 -2.14 -0.18 0.00 0.00 0.00 0.00 51.96 49.87 2dmb s ALA 57 Cb -0.11 0.31 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 2dmb s ALA 57 CO 0.16 -0.15 0.62 -1.21 0.00 0.00 0.00 175.76 175.18 2dmb s GLU 58 N -3.76 4.17 -0.01 0.00 0.41 -1.26 -3.87 118.70 114.39 2dmb s GLU 58 Ca 0.34 0.73 0.08 0.00 -0.41 0.00 0.00 54.97 55.71 2dmb s GLU 58 Cb 0.08 -3.05 -0.02 0.00 -1.78 0.00 0.00 34.13 29.36 2dmb s GLU 58 CO 0.16 0.52 -0.24 0.00 -0.49 0.00 0.00 175.26 175.21 2dmb s ALA 59 N -1.33 2.01 0.09 5.21 0.00 -1.26 -4.91 121.76 121.56 2dmb s ALA 59 Ca 0.36 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 2dmb s ALA 59 Cb -0.18 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 2dmb s ALA 59 CO 0.20 0.49 1.10 -0.51 0.00 0.00 0.00 175.76 177.04 2dmb s ASP 60 N -0.66 7.23 -0.07 0.00 1.01 -1.25 -4.97 116.67 117.96 2dmb s ASP 60 Ca 0.09 1.95 0.02 0.00 0.71 0.00 0.00 52.55 55.33 2dmb s ASP 60 Cb -0.09 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.26 2dmb s ASP 60 CO -0.01 -0.31 -0.13 -0.69 0.21 0.00 0.00 175.17 174.24 2dmb s VAL 61 N 0.53 1.23 -0.10 -1.27 1.01 -1.26 -3.30 120.40 117.24 2dmb s VAL 61 Ca 0.53 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2dmb s VAL 61 Cb -0.27 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.02 2dmb s VAL 61 CO 0.31 0.38 -0.05 -0.63 0.00 0.00 0.00 175.10 175.10 2dmb s ILE 62 N 0.69 0.82 0.42 2.22 1.09 -0.65 -4.94 121.20 120.85 2dmb s ILE 62 Ca -0.14 -0.16 -0.22 0.00 -1.10 0.00 0.00 60.65 59.03 2dmb s ILE 62 Cb -0.16 -0.87 -0.10 0.00 -1.06 0.00 0.00 42.46 40.26 2dmb s ILE 62 CO 0.04 0.33 0.97 -1.83 -0.10 0.00 0.00 174.94 174.35 2dmb s GLU 63 N 1.73 4.19 0.27 2.79 -1.05 -1.26 -0.49 118.70 124.88 2dmb s GLU 63 Ca 0.04 1.22 0.09 0.00 -0.15 0.00 0.00 54.97 56.17 2dmb s GLU 63 Cb -0.13 -2.27 -0.05 0.00 -0.44 0.00 0.00 34.13 31.24 2dmb s GLU 63 CO -0.07 -0.07 -0.12 -0.80 0.95 0.00 0.00 175.26 175.15 2dmb s ASN 64 N -2.03 3.10 0.44 0.83 0.01 0.15 -4.94 114.94 112.50 2dmb s ASN 64 Ca 0.61 -1.11 0.14 0.00 -0.71 0.00 0.00 52.86 51.79 2dmb s ASN 64 Cb -0.12 -0.23 0.97 0.00 0.41 0.00 0.00 41.25 42.28 2dmb s ASN 64 CO 0.17 -0.17 1.98 -0.33 -1.51 0.00 0.00 177.10 177.24 2dmb h GLU 65 N 2.30 0.04 -1.35 -0.60 3.07 -1.98 -2.42 114.58 113.65 2dmb h GLU 65 Ca -0.40 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.33 2dmb h GLU 65 Cb 1.24 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 29.08 2dmb h GLU 65 CO 0.65 0.21 0.16 -3.47 -1.40 0.00 0.00 179.01 175.16 2dmb n ASP 66 N -4.32 4.36 -4.17 1.42 2.03 -1.26 -4.80 116.55 109.81 2dmb n ASP 66 Ca -0.02 -2.51 -0.34 0.00 0.52 0.00 0.00 54.79 52.44 2dmb n ASP 66 Cb 0.24 -0.81 -0.03 0.00 -0.72 0.00 0.00 41.12 39.81 2dmb n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmb n GLY 67 N 0.51 -0.39 3.25 0.27 0.00 -0.91 -4.61 105.19 103.32 2dmb n GLY 67 Ca 0.13 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 2dmb n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmb s THR 68 N -3.47 1.72 -0.14 2.61 -4.23 -1.24 -4.08 115.64 106.81 2dmb s THR 68 Ca 0.56 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2dmb s THR 68 Cb -0.31 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 2dmb s THR 68 CO 0.92 0.32 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.90 2dmb s TYR 69 N -0.69 2.84 -0.16 3.99 1.51 -1.14 0.32 117.35 124.02 2dmb s TYR 69 Ca 0.08 -0.67 -0.13 0.00 -1.01 0.00 0.00 57.07 55.34 2dmb s TYR 69 Cb -0.09 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 2dmb s TYR 69 CO 0.01 -0.25 0.27 -0.51 -1.11 0.00 0.00 175.55 173.96 2dmb s ASP 70 N 0.49 6.41 -0.02 2.29 1.01 0.36 -1.21 116.67 126.00 2dmb s ASP 70 Ca -0.08 0.48 0.04 0.00 0.71 0.00 0.00 52.55 53.70 2dmb s ASP 70 Cb -0.16 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.60 2dmb s ASP 70 CO 0.04 0.12 -0.15 -0.63 0.21 0.00 0.00 175.17 174.76 2dmb s ILE 71 N 0.41 1.19 0.04 0.77 1.01 0.64 -1.63 121.20 123.63 2dmb s ILE 71 Ca 0.16 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2dmb s ILE 71 Cb -0.13 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 2dmb s ILE 71 CO 0.03 0.34 -0.08 -0.36 0.00 0.00 0.00 174.94 174.87 2dmb s PHE 72 N -0.24 0.72 -0.07 3.97 0.40 -1.21 -1.03 117.98 120.52 2dmb s PHE 72 Ca 0.04 -0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 2dmb s PHE 72 Cb -0.07 -0.43 0.09 0.00 0.51 0.00 0.00 43.02 43.12 2dmb s PHE 72 CO -0.00 -0.05 0.79 1.52 0.70 0.00 0.00 175.22 178.17 2dmb s TYR 73 N -1.13 -0.54 0.19 0.36 -0.85 -1.21 -3.77 117.35 110.39 2dmb s TYR 73 Ca -0.07 0.87 0.11 0.00 -0.52 0.00 0.00 57.07 57.46 2dmb s TYR 73 Cb -0.09 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 2dmb s TYR 73 CO 0.01 -0.53 -0.21 0.99 -1.52 0.00 0.00 175.55 174.28 2dmb s THR 74 N -1.42 2.51 -0.38 -3.49 2.01 -1.26 -2.91 115.64 110.69 2dmb s THR 74 Ca -0.06 -1.98 -0.00 0.00 0.31 0.00 0.00 61.69 59.96 2dmb s THR 74 Cb -0.00 -2.22 0.10 0.00 0.01 0.00 0.00 72.50 70.40 2dmb s THR 74 CO 0.05 -0.13 0.13 0.00 -0.69 0.00 0.00 174.62 173.99 2dmb s ALA 75 N -1.71 3.04 0.18 7.40 0.00 -1.26 -4.95 121.76 124.46 2dmb s ALA 75 Ca 0.22 -2.50 -0.14 0.00 0.00 0.00 0.00 51.96 49.54 2dmb s ALA 75 Cb -0.08 -2.22 0.12 0.00 0.00 0.00 0.00 23.12 20.95 2dmb s ALA 75 CO 0.11 -1.73 1.77 0.00 0.00 0.00 0.00 175.76 175.91 2dmb h ALA 76 N 7.88 0.59 -2.96 0.00 0.00 -1.95 0.60 119.26 123.41 2dmb h ALA 76 Ca -0.10 0.03 -0.43 0.00 0.00 0.00 0.00 54.91 54.41 2dmb h ALA 76 Cb 1.04 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.60 2dmb h ALA 76 CO 0.62 -0.14 -0.77 -1.59 0.00 0.00 0.00 179.25 177.37 2dmb s LYS 77 N -6.14 1.04 0.73 0.00 0.00 -1.26 -4.62 119.74 109.49 2dmb s LYS 77 Ca -0.13 -1.23 -0.12 0.00 0.00 0.00 0.00 55.97 54.49 2dmb s LYS 77 Cb 0.13 -0.96 0.03 0.00 0.00 0.00 0.00 37.83 37.04 2dmb s LYS 77 CO 0.73 0.19 1.10 -1.25 0.00 0.00 0.00 175.35 176.12 2dmb s PRO 78 N -2.59 2.46 0.00 1.78 0.04 -1.26 -4.97 135.00 130.46 2dmb s PRO 78 Ca 0.09 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2dmb s PRO 78 Cb -0.05 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2dmb s PRO 78 CO 0.03 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 175.99 2dmb n GLY 79 N -0.95 -0.03 3.30 0.56 0.00 -1.13 -5.00 105.19 101.94 2dmb n GLY 79 Ca 0.10 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 2dmb n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmb s THR 80 N -3.31 4.16 -0.05 2.61 2.01 -1.26 -2.17 115.64 117.62 2dmb s THR 80 Ca 0.00 -1.15 -0.13 0.00 0.31 0.00 0.00 61.69 60.72 2dmb s THR 80 Cb 0.00 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2dmb s THR 80 CO 0.00 -0.31 0.33 -0.31 -0.69 0.00 0.00 174.62 173.64 2dmb s TYR 81 N 1.45 3.66 -0.25 4.92 1.51 -0.93 -3.47 117.35 124.25 2dmb s TYR 81 Ca 0.01 0.83 0.02 0.00 -1.01 0.00 0.00 57.07 56.93 2dmb s TYR 81 Cb -0.21 -2.21 0.05 0.00 -0.11 0.00 0.00 41.96 39.48 2dmb s TYR 81 CO 0.04 0.61 -0.11 0.08 -1.11 0.00 0.00 175.55 175.06 2dmb s VAL 82 N -0.86 2.24 -0.19 0.71 1.01 -0.82 -2.61 120.40 119.87 2dmb s VAL 82 Ca 0.21 -1.50 -0.08 0.00 0.00 0.00 0.00 61.98 60.61 2dmb s VAL 82 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2dmb s VAL 82 CO 0.10 0.05 0.07 -0.63 0.00 0.00 0.00 175.10 174.69 2dmb s ILE 83 N 1.15 4.82 -0.24 2.22 1.01 -1.20 -1.02 121.20 127.93 2dmb s ILE 83 Ca -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 2dmb s ILE 83 Cb -0.19 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2dmb s ILE 83 CO -0.06 0.44 0.13 -0.31 0.00 0.00 0.00 174.94 175.15 2dmb s TYR 84 N 0.51 3.23 -0.01 3.97 2.02 -0.82 -1.65 117.35 124.60 2dmb s TYR 84 Ca 0.04 0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 2dmb s TYR 84 Cb -0.13 -2.26 -0.00 0.00 -0.40 0.00 0.00 41.96 39.17 2dmb s TYR 84 CO 0.01 -0.06 -0.08 0.08 -1.57 0.00 0.00 175.55 173.93 2dmb s VAL 85 N 1.23 0.62 0.18 0.71 1.01 -1.26 -2.41 120.40 120.48 2dmb s VAL 85 Ca 0.06 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2dmb s VAL 85 Cb -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 2dmb s VAL 85 CO 0.05 0.18 0.29 0.00 0.00 0.00 0.00 175.10 175.62 2dmb s ARG 86 N -0.13 1.23 -0.16 2.72 1.70 -1.23 -3.19 118.95 119.89 2dmb s ARG 86 Ca 0.02 -1.27 -0.01 0.00 -0.47 0.00 0.00 55.73 54.00 2dmb s ARG 86 Cb -0.04 0.37 0.05 0.00 -0.57 0.00 0.00 34.95 34.76 2dmb s ARG 86 CO -0.00 -0.45 -0.01 0.12 -1.08 0.00 0.00 175.30 173.87 2dmb s PHE 87 N -4.01 1.29 -1.61 5.89 5.36 0.06 -3.56 117.98 121.40 2dmb s PHE 87 Ca 0.22 -0.84 -0.04 0.00 -0.96 0.00 0.00 56.93 55.31 2dmb s PHE 87 Cb 0.03 -1.12 0.01 0.00 -0.34 0.00 0.00 43.02 41.59 2dmb s PHE 87 CO 0.04 -0.56 0.47 0.41 -1.46 0.00 0.00 175.22 174.11 2dmb n GLY 88 N 4.98 -0.52 1.73 13.12 0.00 -0.84 -1.94 105.19 121.73 2dmb n GLY 88 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dmb n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmb n GLY 89 N -1.41 0.56 2.75 -0.02 0.00 -1.26 -4.96 105.19 100.85 2dmb n GLY 89 Ca -0.14 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 2dmb n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmb s VAL 90 N -2.00 0.73 -0.48 1.61 1.01 -0.82 -5.08 120.40 115.37 2dmb s VAL 90 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 2dmb s VAL 90 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2dmb s VAL 90 CO 0.00 -0.36 2.12 -0.62 0.00 0.00 0.00 175.10 176.24 2dmb s ASP 91 N 1.74 5.03 0.84 3.32 2.15 -1.26 -0.76 116.67 127.72 2dmb s ASP 91 Ca 0.02 0.94 -0.16 0.00 0.43 0.00 0.00 52.55 53.77 2dmb s ASP 91 Cb -0.17 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 39.83 2dmb s ASP 91 CO -0.14 -2.46 -0.25 2.30 -0.17 0.00 0.00 175.17 174.46 2dmb n ILE 92 N 7.62 0.30 0.98 4.11 -5.35 -1.19 -4.76 119.36 121.07 2dmb n ILE 92 Ca 0.28 -0.43 0.05 0.00 -0.27 0.00 0.00 62.75 62.38 2dmb n ILE 92 Cb 0.52 -0.23 0.30 0.00 -1.74 0.00 0.00 39.64 38.49 2dmb n ILE 92 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2dmb n PRO 93 N 1.07 0.49 -0.01 6.28 -0.04 -1.26 -1.97 135.00 139.57 2dmb n PRO 93 Ca 0.03 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 2dmb n PRO 93 Cb 0.53 -1.32 -0.15 0.00 -0.04 0.00 0.00 33.50 32.51 2dmb n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dmb n ASN 94 N -0.82 0.38 -4.85 3.54 5.03 -1.26 -4.95 115.26 112.33 2dmb n ASN 94 Ca 0.08 -0.16 -0.36 0.00 0.87 0.00 0.00 54.58 55.01 2dmb n ASN 94 Cb 0.03 1.79 -0.06 0.00 -1.02 0.00 0.00 39.78 40.53 2dmb n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2dmb s SER 95 N -4.14 6.80 1.11 6.41 0.15 -0.83 -3.83 113.70 119.36 2dmb s SER 95 Ca -0.05 1.01 -0.16 0.00 0.70 0.00 0.00 55.95 57.45 2dmb s SER 95 Cb 0.14 -2.26 0.24 0.00 -1.71 0.00 0.00 66.02 62.43 2dmb s SER 95 CO 0.86 0.16 1.10 -2.16 1.20 0.00 0.00 173.24 174.39 2dmb s PRO 96 N -1.79 -0.49 -0.38 5.44 0.04 -1.26 -4.89 135.00 131.67 2dmb s PRO 96 Ca 0.34 0.20 -0.05 0.00 0.04 0.00 0.00 61.00 61.54 2dmb s PRO 96 Cb -0.15 -1.66 0.08 0.00 0.04 0.00 0.00 34.50 32.81 2dmb s PRO 96 CO 0.18 -3.28 0.17 -0.06 0.04 0.00 0.00 177.00 174.05 2dmb s PHE 97 N -2.98 3.42 -0.61 0.56 0.40 -0.66 -4.94 117.98 113.15 2dmb s PHE 97 Ca 0.68 -1.96 -0.28 0.00 -0.60 0.00 0.00 56.93 54.78 2dmb s PHE 97 Cb -0.14 -2.82 0.02 0.00 0.51 0.00 0.00 43.02 40.59 2dmb s PHE 97 CO 0.57 -0.88 1.35 0.99 0.70 0.00 0.00 175.22 177.95 2dmb s THR 98 N 1.27 3.80 -0.16 0.64 2.01 -1.26 -3.25 115.64 118.70 2dmb s THR 98 Ca 0.03 0.64 -0.00 0.00 0.31 0.00 0.00 61.69 62.67 2dmb s THR 98 Cb -0.22 -4.60 -0.00 0.00 0.01 0.00 0.00 72.50 67.68 2dmb s THR 98 CO -0.01 -1.37 -0.14 -0.69 -0.69 0.00 0.00 174.62 171.71 2dmb s VAL 99 N 5.87 2.74 -0.40 3.82 1.01 -1.07 -4.81 120.40 127.57 2dmb s VAL 99 Ca 0.46 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 2dmb s VAL 99 Cb -0.09 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2dmb s VAL 99 CO 0.22 0.51 0.46 -0.32 0.00 0.00 0.00 175.10 175.97 2dmb s MET 100 N 0.79 3.28 -0.51 2.72 1.75 -0.89 -2.19 119.30 124.26 2dmb s MET 100 Ca -0.05 -0.56 -0.23 0.00 -1.25 0.00 0.00 55.69 53.60 2dmb s MET 100 Cb -0.15 -3.91 0.04 0.00 2.84 0.00 0.00 34.83 33.64 2dmb s MET 100 CO 0.00 -0.78 0.82 0.00 -0.65 0.00 0.00 175.02 174.42 2dmb s ALA 101 N 2.24 3.25 -0.05 4.11 0.00 -0.92 -1.72 121.76 128.66 2dmb s ALA 101 Ca 0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 2dmb s ALA 101 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2dmb s ALA 101 CO 0.14 -2.14 0.11 0.95 0.00 0.00 0.00 175.76 174.81 2dmb s THR 102 N 3.45 5.06 0.47 0.00 -4.23 0.24 -2.85 115.64 117.79 2dmb s THR 102 Ca 0.27 -0.13 0.17 0.00 -1.18 0.00 0.00 61.69 60.82 2dmb s THR 102 Cb -0.14 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.78 2dmb s THR 102 CO 0.19 0.47 2.00 -2.24 -0.54 0.00 0.00 174.62 174.50 2dmb h ASP 103 N 4.48 0.22 -2.29 3.99 3.04 -1.94 -2.55 116.42 121.37 2dmb h ASP 103 Ca -0.51 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 2dmb h ASP 103 Cb 1.20 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 2dmb h ASP 103 CO 0.61 0.13 0.00 0.61 -2.04 0.00 0.00 179.24 178.55 2dmb n GLY 104 N -1.56 0.76 3.65 7.15 0.00 -1.26 -4.58 105.19 109.35 2dmb n GLY 104 Ca 0.08 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 2dmb n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dmb s GLU 105 N -4.85 3.95 0.81 1.61 -1.05 -1.26 -4.98 118.70 112.92 2dmb s GLU 105 Ca 0.00 2.26 -0.11 0.00 -0.15 0.00 0.00 54.97 56.97 2dmb s GLU 105 Cb 0.00 -4.13 0.10 0.00 -0.44 0.00 0.00 34.13 29.66 2dmb s GLU 105 CO 0.00 -1.15 1.15 0.14 0.95 0.00 0.00 175.26 176.35 2dmb s VAL 106 N 5.04 2.08 -0.01 1.83 -7.23 -1.26 -5.04 120.40 115.81 2dmb s VAL 106 Ca 0.83 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 2dmb s VAL 106 Cb -0.36 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.59 2dmb s VAL 106 CO 0.35 0.00 -0.00 0.35 -0.31 0.00 0.00 175.10 175.49 2dmb n THR 107 N -3.28 0.05 -3.59 5.32 -2.24 -1.26 -5.12 114.28 104.16 2dmb n THR 107 Ca 0.10 -0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.81 2dmb n THR 107 Cb 0.61 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 68.16 2dmb n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmb s ALA 108 N -2.02 -2.04 1.14 6.98 0.00 -1.26 -5.17 121.76 119.40 2dmb s ALA 108 Ca -0.01 1.30 -0.15 0.00 0.00 0.00 0.00 51.96 53.10 2dmb s ALA 108 Cb 0.00 0.08 0.19 0.00 0.00 0.00 0.00 23.12 23.40 2dmb s ALA 108 CO 0.02 -0.70 0.53 1.33 0.00 0.00 0.00 175.76 176.94 2dmb n VAL 109 N -0.19 0.00 -3.80 0.00 0.24 -1.26 -4.99 118.33 108.32 2dmb n VAL 109 Ca -0.03 -0.36 -0.37 0.00 -2.04 0.00 0.00 64.34 61.54 2dmb n VAL 109 Cb 0.60 -0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 32.11 2dmb n VAL 109 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2dmb s GLU 110 N -3.93 3.53 0.13 7.34 0.41 -1.26 -5.10 118.70 119.83 2dmb s GLU 110 Ca 0.62 -0.04 -0.05 0.00 -0.41 0.00 0.00 54.97 55.10 2dmb s GLU 110 Cb -0.19 -3.18 -0.06 0.00 -1.78 0.00 0.00 34.13 28.92 2dmb s GLU 110 CO 0.66 0.75 0.37 -1.83 -0.49 0.00 0.00 175.26 174.72 2dmb s GLU 111 N -1.12 3.62 -0.83 1.61 -1.05 -1.26 -5.05 118.70 114.61 2dmb s GLU 111 Ca 0.18 -0.08 -0.07 0.00 -0.15 0.00 0.00 54.97 54.86 2dmb s GLU 111 Cb -0.13 -2.86 0.21 0.00 -0.44 0.00 0.00 34.13 30.91 2dmb s GLU 111 CO 0.07 0.48 0.73 0.00 0.95 0.00 0.00 175.26 177.49 2dmb s ALA 112 N -1.63 4.09 -2.00 -0.84 0.00 -1.26 -4.88 121.76 115.23 2dmb s ALA 112 Ca 0.40 -3.54 0.13 0.00 0.00 0.00 0.00 51.96 48.95 2dmb s ALA 112 Cb -0.12 -3.08 0.76 0.00 0.00 0.00 0.00 23.12 20.68 2dmb s ALA 112 CO 0.24 -2.18 1.19 -0.35 0.00 0.00 0.00 175.76 174.66 2dmb n PRO 113 N 3.16 0.49 -1.22 0.00 -0.04 -1.26 -4.88 135.00 131.26 2dmb n PRO 113 Ca 0.16 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 63.14 2dmb n PRO 113 Cb 0.40 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2dmb n PRO 113 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dmb n VAL 114 N -0.91 0.00 -1.88 0.52 0.31 -1.26 -4.90 118.33 110.21 2dmb n VAL 114 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.13 2dmb n VAL 114 Cb 0.04 -0.29 0.12 0.00 -0.91 0.00 0.00 33.84 32.81 2dmb n VAL 114 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2dmb s ASN 115 N 1.73 3.97 0.11 4.52 3.84 -1.26 -5.10 114.94 122.75 2dmb s ASN 115 Ca 0.73 0.62 -0.20 0.00 0.21 0.00 0.00 52.86 54.22 2dmb s ASN 115 Cb -1.04 -0.97 0.05 0.00 -0.55 0.00 0.00 41.25 38.74 2dmb s ASN 115 CO 0.55 -2.23 0.51 0.00 -2.79 0.00 0.00 177.10 173.14 2dmb s ALA 116 N -3.66 -1.28 -0.28 1.71 0.00 -1.26 -5.18 121.76 111.81 2dmb s ALA 116 Ca 0.66 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.71 2dmb s ALA 116 Cb -0.09 0.66 0.13 0.00 0.00 0.00 0.00 23.12 23.82 2dmb s ALA 116 CO 0.51 -0.64 1.06 0.00 0.00 0.00 0.00 175.76 176.68 2dmb s PRO 118 N 0.25 2.59 -0.07 0.00 0.04 -1.26 -4.92 135.00 131.63 2dmb s PRO 118 Ca 0.03 0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.11 2dmb s PRO 118 Cb -0.05 -4.79 0.04 0.00 0.04 0.00 0.00 34.50 29.74 2dmb s PRO 118 CO -0.07 -3.11 0.14 -1.54 0.04 0.00 0.00 177.00 172.45 2dmb s SER 119 N 8.05 0.47 0.00 6.66 1.04 -1.26 -5.04 113.70 123.63 2dmb s SER 119 Ca 0.69 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.40 2dmb s SER 119 Cb -0.09 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2dmb s SER 119 CO 0.08 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2dmb n GLY 120 N 4.89 -1.81 3.77 7.32 0.00 -1.26 -5.17 105.19 112.93 2dmb n GLY 120 Ca -0.13 0.74 -0.32 0.00 0.00 0.00 0.00 46.02 46.31 2dmb n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmb s PRO 121 N 0.00 2.53 -0.38 1.61 0.04 -1.26 -4.86 135.00 132.68 2dmb s PRO 121 Ca 0.00 1.28 -0.41 0.00 0.04 0.00 0.00 61.00 61.91 2dmb s PRO 121 Cb 0.00 -1.92 -0.18 0.00 0.04 0.00 0.00 34.50 32.44 2dmb s PRO 121 CO 0.00 -1.45 1.37 -1.13 0.04 0.00 0.00 177.00 175.83 2dmb n SER 122 N -2.96 0.92 -5.00 6.66 3.41 -1.26 -4.93 113.62 110.46 2dmb n SER 122 Ca 0.10 1.07 -0.19 0.00 -0.26 0.00 0.00 58.87 59.59 2dmb n SER 122 Cb 0.52 -0.80 0.04 0.00 -0.26 0.00 0.00 64.21 63.71 2dmb n SER 122 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmb s SER 123 N 2.28 5.33 0.00 4.04 0.15 -1.26 -5.34 113.70 118.90 2dmb s SER 123 Ca 0.93 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2dmb s SER 123 Cb -1.32 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2dmb s SER 123 CO 0.70 -1.09 0.39 0.61 1.20 0.00 0.00 173.24 175.06