#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 0.22 0.92 1.61 0.01 -1.26 -5.15 113.70 110.05 2dmb s SER 2 Ca 0.00 0.08 -0.14 0.00 1.31 0.00 0.00 55.95 57.20 2dmb s SER 2 Cb 0.00 1.16 -0.02 0.00 0.21 0.00 0.00 66.02 67.37 2dmb s SER 2 CO 0.00 -0.31 0.17 -0.24 0.41 0.00 0.00 173.24 173.27 2dmb n SER 3 N 5.36 -2.78 -3.96 2.44 2.88 -1.26 -5.00 113.62 111.31 2dmb n SER 3 Ca -0.02 0.34 -0.25 0.00 -1.33 0.00 0.00 58.87 57.61 2dmb n SER 3 Cb 0.50 -1.11 -0.17 0.00 -0.75 0.00 0.00 64.21 62.68 2dmb n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmb s GLY 4 N -1.72 0.78 0.32 0.46 0.00 -1.26 -5.12 107.32 100.78 2dmb s GLY 4 Ca 0.55 -0.44 -0.29 0.00 0.00 0.00 0.00 44.72 44.54 2dmb s GLY 4 CO 0.69 0.46 1.39 -0.56 0.00 0.00 0.00 173.10 175.08 2dmb s SER 5 N 1.16 6.63 -0.18 1.64 0.01 -1.26 -4.96 113.70 116.74 2dmb s SER 5 Ca -0.06 2.78 -0.24 0.00 1.31 0.00 0.00 55.95 59.75 2dmb s SER 5 Cb -0.14 -2.65 -0.22 0.00 0.21 0.00 0.00 66.02 63.22 2dmb s SER 5 CO -0.02 -0.66 0.40 -1.28 0.41 0.00 0.00 173.24 172.08 2dmb h SER 6 N 3.69 0.02 0.00 2.44 0.87 -2.06 -3.51 113.55 114.99 2dmb h SER 6 Ca -0.49 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.40 2dmb h SER 6 Cb 1.23 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2dmb h SER 6 CO 0.68 1.35 0.00 0.61 -0.53 0.00 0.00 176.83 178.94 2dmb n GLY 7 N 1.50 2.16 3.44 5.77 0.00 -1.26 -5.12 105.19 111.68 2dmb n GLY 7 Ca -0.25 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 2dmb n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmb s THR 8 N -0.72 -0.38 0.00 2.61 -4.23 -1.26 -5.14 115.64 106.52 2dmb s THR 8 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2dmb s THR 8 Cb 0.00 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 73.04 2dmb s THR 8 CO 0.00 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2dmb n GLY 9 N 4.82 0.40 3.61 3.99 0.00 -1.25 -4.92 105.19 111.83 2dmb n GLY 9 Ca -0.16 -1.35 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.12 -0.20 -0.22 1.61 1.01 0.48 -4.93 116.67 113.31 2dmb s ASP 10 Ca 0.00 0.21 -0.04 0.00 0.71 0.00 0.00 52.55 53.43 2dmb s ASP 10 Cb 0.00 0.17 -0.19 0.00 1.01 0.00 0.00 42.92 43.90 2dmb s ASP 10 CO 0.00 -0.19 -0.03 0.00 0.21 0.00 0.00 175.17 175.15 2dmb n ALA 11 N 0.59 1.19 0.17 5.23 0.00 -1.26 -4.06 120.51 122.37 2dmb n ALA 11 Ca -0.05 -0.91 0.11 0.00 0.00 0.00 0.00 53.44 52.59 2dmb n ALA 11 Cb 0.58 -0.28 0.58 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.18 0.00 0.54 0.00 4.64 -1.94 0.93 113.55 117.54 2dmb h SER 12 Ca -0.53 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.51 2dmb h SER 12 Cb 1.86 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.90 2dmb h SER 12 CO -0.09 0.00 -1.63 0.11 -0.87 0.00 0.00 176.83 174.35 2dmb h LYS 13 N 0.00 0.00 -7.16 4.77 1.79 -1.95 -3.47 116.57 110.55 2dmb h LYS 13 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2dmb h LYS 13 Cb 0.13 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 30.94 2dmb h LYS 13 CO 0.00 0.53 0.42 0.00 -1.08 0.00 0.00 179.45 179.32 2dmb s LEU 15 N -4.98 2.52 -0.19 0.00 1.02 -0.33 -5.01 118.68 111.71 2dmb s LEU 15 Ca 0.77 -0.99 -0.03 0.00 0.02 0.00 0.00 54.13 53.90 2dmb s LEU 15 Cb -0.32 -0.31 0.06 0.00 0.02 0.00 0.00 46.19 45.64 2dmb s LEU 15 CO 0.44 -0.34 0.03 0.00 0.02 0.00 0.00 176.35 176.50 2dmb s ALA 16 N -3.28 1.01 -0.10 4.21 0.00 -1.26 -1.49 121.76 120.85 2dmb s ALA 16 Ca 0.15 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2dmb s ALA 16 Cb 0.02 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2dmb s ALA 16 CO -0.00 -1.13 -0.17 0.95 0.00 0.00 0.00 175.76 175.41 2dmb s THR 17 N 1.85 1.58 0.00 0.00 -4.23 -1.02 -5.01 115.64 108.82 2dmb s THR 17 Ca -0.01 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 2dmb s THR 17 Cb -0.17 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.25 2dmb s THR 17 CO -0.08 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2dmb n GLY 18 N 4.03 2.62 0.17 3.99 0.00 -1.26 -2.00 105.19 112.74 2dmb n GLY 18 Ca -0.20 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 1.61 0.13 -1.98 -2.81 132.00 128.95 2dmb h PRO 19 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 2dmb h PRO 19 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dmb h PRO 19 CO 0.00 0.00 -0.36 0.78 -0.23 0.00 0.00 178.00 178.19 2dmb h GLY 20 N 2.15 0.00 -2.22 1.56 0.00 -1.89 -3.01 103.07 99.66 2dmb h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dmb h GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 2dmb n ILE 21 N -3.34 0.53 -1.75 2.60 -5.35 -1.06 -4.98 119.36 106.01 2dmb n ILE 21 Ca 0.01 -0.73 -0.41 0.00 -0.27 0.00 0.00 62.75 61.35 2dmb n ILE 21 Cb 0.57 0.87 0.01 0.00 -1.74 0.00 0.00 39.64 39.35 2dmb n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dmb n ALA 22 N 1.40 1.89 -0.37 -1.28 0.00 -1.14 -4.83 120.51 116.18 2dmb n ALA 22 Ca 0.20 0.27 0.33 0.00 0.00 0.00 0.00 53.44 54.24 2dmb n ALA 22 Cb 0.58 -2.36 0.60 0.00 0.00 0.00 0.00 19.45 18.27 2dmb n ALA 22 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dmb h SER 23 N 2.37 0.31 -4.59 0.00 0.02 -1.92 -3.40 113.55 106.34 2dmb h SER 23 Ca -0.50 0.22 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 2dmb h SER 23 Cb 1.27 0.22 -0.22 0.00 0.14 0.00 0.00 62.40 63.80 2dmb h SER 23 CO 0.61 -0.34 -0.50 0.42 -1.14 0.00 0.00 176.83 175.88 2dmb s THR 24 N -5.46 0.06 0.23 -2.27 -4.23 -1.26 -2.58 115.64 100.12 2dmb s THR 24 Ca -0.09 -0.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 2dmb s THR 24 Cb 0.33 -0.37 -0.05 0.00 1.34 0.00 0.00 72.50 73.75 2dmb s THR 24 CO 0.79 -0.26 0.08 0.68 -0.54 0.00 0.00 174.62 175.38 2dmb s VAL 25 N -0.91 0.49 -0.14 2.29 -7.23 0.81 -4.92 120.40 110.79 2dmb s VAL 25 Ca -0.10 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.00 2dmb s VAL 25 Cb -0.06 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2dmb s VAL 25 CO 0.01 -0.12 0.13 -0.75 -0.31 0.00 0.00 175.10 174.06 2dmb s LYS 26 N -4.03 3.62 0.89 4.82 2.36 -1.26 0.25 119.74 126.39 2dmb s LYS 26 Ca 0.34 -0.18 -0.11 0.00 -2.55 0.00 0.00 55.97 53.48 2dmb s LYS 26 Cb 0.07 -3.23 0.13 0.00 -1.05 0.00 0.00 37.83 33.75 2dmb s LYS 26 CO 0.11 0.64 1.11 0.95 1.55 0.00 0.00 175.35 179.70 2dmb s THR 27 N -0.62 2.57 0.00 3.43 -4.23 0.42 -3.31 115.64 113.89 2dmb s THR 27 Ca 0.13 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 2dmb s THR 27 Cb -0.12 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2dmb s THR 27 CO 0.02 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 2dmb n GLY 28 N -0.40 1.13 3.78 3.99 0.00 -0.54 -4.95 105.19 108.20 2dmb n GLY 28 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2dmb n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmb s GLU 29 N 0.00 3.00 -0.16 1.61 2.02 -1.21 -4.77 118.70 119.18 2dmb s GLU 29 Ca 0.00 1.30 -0.03 0.00 0.02 0.00 0.00 54.97 56.27 2dmb s GLU 29 Cb 0.00 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 2dmb s GLU 29 CO 0.00 -1.08 -0.06 -2.00 0.02 0.00 0.00 175.26 172.13 2dmb s GLU 30 N -4.13 3.53 0.49 1.61 2.12 -1.26 -3.75 118.70 117.31 2dmb s GLU 30 Ca 0.65 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 55.44 2dmb s GLU 30 Cb -0.19 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.37 2dmb s GLU 30 CO 0.40 0.14 0.69 0.14 -0.54 0.00 0.00 175.26 176.09 2dmb s VAL 31 N 0.60 2.87 -0.34 3.70 -7.23 -0.26 -4.93 120.40 114.80 2dmb s VAL 31 Ca -0.04 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.40 2dmb s VAL 31 Cb -0.15 -3.03 0.18 0.00 0.56 0.00 0.00 36.38 33.95 2dmb s VAL 31 CO 0.03 -0.02 0.56 -0.83 -0.31 0.00 0.00 175.10 174.53 2dmb s GLY 32 N -4.38 -1.06 0.20 2.32 0.00 -1.26 -2.57 107.32 100.56 2dmb s GLY 32 Ca 0.56 0.45 0.06 0.00 0.00 0.00 0.00 44.72 45.78 2dmb s GLY 32 CO 0.36 3.51 0.18 -0.11 0.00 0.00 0.00 173.10 177.04 2dmb s PHE 33 N 2.30 3.17 0.01 1.90 -0.71 -0.25 -4.37 117.98 120.03 2dmb s PHE 33 Ca 0.13 -0.05 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 2dmb s PHE 33 Cb -0.09 -1.48 -0.01 0.00 -1.21 0.00 0.00 43.02 40.23 2dmb s PHE 33 CO -0.18 0.52 -0.07 0.54 -1.34 0.00 0.00 175.22 174.69 2dmb s VAL 34 N -1.90 0.56 -0.29 -2.49 0.11 -0.85 -0.24 120.40 115.30 2dmb s VAL 34 Ca 0.32 -0.58 -0.19 0.00 -2.93 0.00 0.00 61.98 58.60 2dmb s VAL 34 Cb -0.09 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2dmb s VAL 34 CO 0.24 -0.03 0.58 -0.69 -3.33 0.00 0.00 175.10 171.87 2dmb s VAL 35 N -0.58 4.99 -0.18 2.04 1.01 -0.66 -2.43 120.40 124.59 2dmb s VAL 35 Ca -0.01 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 2dmb s VAL 35 Cb -0.05 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2dmb s VAL 35 CO 0.00 -0.07 0.24 -0.62 0.00 0.00 0.00 175.10 174.65 2dmb s ASP 36 N 1.61 6.33 -0.12 3.32 -1.08 -0.55 -3.27 116.67 122.92 2dmb s ASP 36 Ca 0.23 0.38 0.02 0.00 -0.52 0.00 0.00 52.55 52.67 2dmb s ASP 36 Cb -0.15 -2.15 0.01 0.00 -1.46 0.00 0.00 42.92 39.17 2dmb s ASP 36 CO 0.11 0.10 -0.19 0.00 0.52 0.00 0.00 175.17 175.71 2dmb s ALA 37 N 0.57 1.97 0.00 3.66 0.00 -1.26 -1.18 121.76 125.52 2dmb s ALA 37 Ca 0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2dmb s ALA 37 Cb -0.13 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 2dmb s ALA 37 CO 0.02 0.01 -0.04 1.63 0.00 0.00 0.00 175.76 177.38 2dmb n LYS 38 N 4.02 0.06 0.00 0.00 5.02 -1.26 -4.80 118.16 121.19 2dmb n LYS 38 Ca -0.20 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.24 2dmb n LYS 38 Cb 0.52 -0.40 0.10 0.00 -0.02 0.00 0.00 35.03 35.23 2dmb n LYS 38 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2dmb n THR 39 N -2.96 0.00 0.16 -0.18 -2.24 -1.26 -4.28 114.28 103.51 2dmb n THR 39 Ca -0.02 -0.43 0.03 0.00 -2.27 0.00 0.00 64.05 61.37 2dmb n THR 39 Cb 0.06 1.39 0.42 0.00 -2.10 0.00 0.00 70.33 70.10 2dmb n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmb h ALA 40 N 4.49 1.55 0.00 6.98 0.00 -1.83 -3.44 119.26 127.02 2dmb h ALA 40 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2dmb h ALA 40 Cb 0.92 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2dmb h ALA 40 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2dmb n GLY 41 N -0.87 0.47 3.87 0.00 0.00 -1.26 -0.39 105.19 107.01 2dmb n GLY 41 Ca -0.01 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 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 3.80 0.00 1.61 2.20 -1.26 -4.94 119.74 121.15 2dmb s LYS 42 Ca 0.00 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2dmb s LYS 42 Cb 0.00 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 2dmb s LYS 42 CO 0.00 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.88 2dmb n GLY 43 N 0.56 2.00 3.88 5.54 0.00 -1.26 -4.37 105.19 111.54 2dmb n GLY 43 Ca -0.05 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.00 3.34 -0.25 1.61 -0.14 -1.26 -4.77 119.74 116.27 2dmb s LYS 44 Ca 0.00 -0.42 0.01 0.00 -1.36 0.00 0.00 55.97 54.20 2dmb s LYS 44 Cb 0.00 -3.01 0.04 0.00 -1.68 0.00 0.00 37.83 33.18 2dmb s LYS 44 CO 0.00 0.64 -0.11 0.08 -0.76 0.00 0.00 175.35 175.20 2dmb s VAL 45 N -1.38 2.37 -0.08 3.17 1.01 -1.26 -1.65 120.40 122.58 2dmb s VAL 45 Ca 0.30 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2dmb s VAL 45 Cb -0.13 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2dmb s VAL 45 CO 0.22 0.12 -0.03 0.42 0.00 0.00 0.00 175.10 175.83 2dmb s THR 46 N 1.20 4.01 0.05 3.92 -4.23 -1.21 -4.98 115.64 114.40 2dmb s THR 46 Ca -0.04 -0.36 0.08 0.00 -1.18 0.00 0.00 61.69 60.20 2dmb s THR 46 Cb -0.18 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 2dmb s THR 46 CO -0.06 0.59 -0.23 0.00 -0.54 0.00 0.00 174.62 174.38 2dmb s THR 48 N -0.84 -0.30 -0.33 0.00 2.01 -0.93 -4.51 115.64 110.75 2dmb s THR 48 Ca 0.09 -0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.67 2dmb s THR 48 Cb -0.09 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.73 2dmb s THR 48 CO 0.02 -0.25 0.93 -0.69 -0.69 0.00 0.00 174.62 173.94 2dmb s VAL 49 N 2.30 4.64 -0.34 3.82 1.01 -1.23 -1.82 120.40 128.78 2dmb s VAL 49 Ca 0.07 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 2dmb s VAL 49 Cb -0.16 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 2dmb s VAL 49 CO -0.14 -0.41 0.21 -0.22 0.00 0.00 0.00 175.10 174.54 2dmb s LEU 50 N 3.34 4.47 0.55 3.92 2.96 -0.16 -0.31 118.68 133.45 2dmb s LEU 50 Ca 0.38 -0.58 -0.19 0.00 -0.22 0.00 0.00 54.13 53.53 2dmb s LEU 50 Cb -0.13 -2.08 -0.06 0.00 0.50 0.00 0.00 46.19 44.43 2dmb s LEU 50 CO 0.15 -0.26 1.10 0.42 -1.32 0.00 0.00 176.35 176.44 2dmb s THR 51 N 1.66 3.40 -1.76 3.68 -4.23 0.19 -1.65 115.64 116.92 2dmb s THR 51 Ca 0.05 0.82 0.15 0.00 -1.18 0.00 0.00 61.69 61.53 2dmb s THR 51 Cb -0.18 -3.32 0.37 0.00 1.34 0.00 0.00 72.50 70.71 2dmb s THR 51 CO 0.09 -0.24 1.37 -0.81 -0.54 0.00 0.00 174.62 174.49 2dmb n PRO 52 N -1.43 0.37 0.12 3.99 -0.04 -1.22 -2.48 135.00 134.31 2dmb n PRO 52 Ca 0.11 0.06 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2dmb n PRO 52 Cb 0.52 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2dmb n PRO 52 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2dmb h ASP 53 N 0.00 0.00 0.00 3.54 3.58 -1.91 -3.47 116.42 118.16 2dmb h ASP 53 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dmb h ASP 53 Cb 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2dmb h ASP 53 CO 0.00 0.67 0.00 0.61 -2.88 0.00 0.00 179.24 177.64 2dmb n GLY 54 N 1.07 1.63 3.35 -0.78 0.00 -1.04 -5.14 105.19 104.30 2dmb n GLY 54 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 2dmb n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dmb s THR 55 N -1.91 0.65 0.22 2.61 -1.32 -1.25 -5.02 115.64 109.61 2dmb s THR 55 Ca 0.00 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.58 2dmb s THR 55 Cb 0.00 -2.64 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 2dmb s THR 55 CO 0.00 0.00 -0.11 -1.83 -2.21 0.00 0.00 174.62 170.47 2dmb s GLU 56 N -3.97 1.97 0.17 7.08 1.03 -1.26 -0.64 118.70 123.08 2dmb s GLU 56 Ca 0.37 -1.42 0.08 0.00 0.03 0.00 0.00 54.97 54.02 2dmb s GLU 56 Cb 0.07 -2.05 -0.04 0.00 -0.80 0.00 0.00 34.13 31.31 2dmb s GLU 56 CO 0.15 0.40 -0.16 0.00 -1.33 0.00 0.00 175.26 174.31 2dmb s ALA 57 N -1.97 1.92 0.01 -0.84 0.00 0.58 -4.91 121.76 116.55 2dmb s ALA 57 Ca 0.26 -1.50 -0.28 0.00 0.00 0.00 0.00 51.96 50.44 2dmb s ALA 57 Cb -0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2dmb s ALA 57 CO 0.15 0.17 0.88 -1.83 0.00 0.00 0.00 175.76 175.13 2dmb s GLU 58 N -3.01 4.54 -0.01 0.00 -1.05 -1.26 -3.51 118.70 114.40 2dmb s GLU 58 Ca 0.16 1.24 0.03 0.00 -0.15 0.00 0.00 54.97 56.26 2dmb s GLU 58 Cb -0.04 -3.43 -0.03 0.00 -0.44 0.00 0.00 34.13 30.19 2dmb s GLU 58 CO 0.06 0.07 -0.09 0.00 0.95 0.00 0.00 175.26 176.25 2dmb s ALA 59 N 0.64 2.92 0.17 -0.84 0.00 -1.26 -4.96 121.76 118.43 2dmb s ALA 59 Ca 0.46 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 2dmb s ALA 59 Cb -0.21 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.77 2dmb s ALA 59 CO 0.25 0.60 1.06 -0.51 0.00 0.00 0.00 175.76 177.15 2dmb s ASP 60 N -1.26 7.35 -0.06 0.00 1.01 -1.26 -4.94 116.67 117.51 2dmb s ASP 60 Ca 0.15 2.02 0.01 0.00 0.71 0.00 0.00 52.55 55.44 2dmb s ASP 60 Cb -0.11 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.24 2dmb s ASP 60 CO 0.06 -0.15 -0.07 -0.69 0.21 0.00 0.00 175.17 174.53 2dmb s VAL 61 N -0.30 0.77 -0.14 -1.27 1.01 -1.26 -3.64 120.40 115.56 2dmb s VAL 61 Ca 0.48 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2dmb s VAL 61 Cb -0.28 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2dmb s VAL 61 CO 0.34 0.29 -0.13 -0.63 0.00 0.00 0.00 175.10 174.97 2dmb s ILE 62 N 1.07 1.46 0.45 2.22 1.09 -0.73 -4.96 121.20 121.79 2dmb s ILE 62 Ca -0.08 -0.58 -0.19 0.00 -1.10 0.00 0.00 60.65 58.70 2dmb s ILE 62 Cb -0.14 -1.40 -0.10 0.00 -1.06 0.00 0.00 42.46 39.76 2dmb s ILE 62 CO -0.01 0.42 0.94 -1.83 -0.10 0.00 0.00 174.94 174.37 2dmb s GLU 63 N 1.53 4.13 0.17 2.79 -1.05 -1.26 -1.13 118.70 123.88 2dmb s GLU 63 Ca 0.05 1.03 0.07 0.00 -0.15 0.00 0.00 54.97 55.97 2dmb s GLU 63 Cb -0.13 -2.19 -0.04 0.00 -0.44 0.00 0.00 34.13 31.33 2dmb s GLU 63 CO -0.10 -0.08 -0.15 -0.80 0.95 0.00 0.00 175.26 175.07 2dmb s ASN 64 N -2.45 2.41 0.62 0.83 0.01 -0.66 -4.96 114.94 110.75 2dmb s ASN 64 Ca 0.60 -0.91 0.36 0.00 -0.71 0.00 0.00 52.86 52.20 2dmb s ASN 64 Cb -0.09 -0.12 2.07 0.00 0.41 0.00 0.00 41.25 43.52 2dmb s ASN 64 CO 0.19 -0.13 2.30 -0.08 -1.51 0.00 0.00 177.10 177.87 2dmb h GLU 65 N 3.05 0.00 -1.10 -0.60 4.57 -1.98 -1.67 114.58 116.85 2dmb h GLU 65 Ca -0.40 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.64 2dmb h GLU 65 Cb 1.21 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.71 2dmb h GLU 65 CO 0.55 0.00 0.19 -0.25 -1.18 0.00 0.00 179.01 178.32 2dmb n ASP 66 N -3.51 3.57 -4.11 1.04 8.00 -1.26 -4.83 116.55 115.45 2dmb n ASP 66 Ca -0.03 -2.48 -0.32 0.00 0.71 0.00 0.00 54.79 52.68 2dmb n ASP 66 Cb 0.08 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.50 2dmb n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmb n GLY 67 N 0.16 -0.35 3.64 0.44 0.00 -0.63 -4.70 105.19 103.75 2dmb n GLY 67 Ca 0.16 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.58 1.28 -0.15 2.61 -4.23 -1.22 -4.17 115.64 106.16 2dmb s THR 68 Ca 0.43 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.90 2dmb s THR 68 Cb -0.23 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.18 2dmb s THR 68 CO 0.91 0.00 0.28 -0.31 -0.54 0.00 0.00 174.62 174.95 2dmb s TYR 69 N -2.95 -0.46 -0.13 3.99 1.51 -1.20 -1.66 117.35 116.45 2dmb s TYR 69 Ca 0.21 0.87 -0.17 0.00 -1.01 0.00 0.00 57.07 56.97 2dmb s TYR 69 Cb 0.05 -0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.79 2dmb s TYR 69 CO 0.11 -0.43 0.43 -0.51 -1.11 0.00 0.00 175.55 174.03 2dmb s ASP 70 N 2.43 6.62 -0.04 2.29 1.11 -0.28 -1.66 116.67 127.14 2dmb s ASP 70 Ca 0.03 0.74 0.03 0.00 0.18 0.00 0.00 52.55 53.53 2dmb s ASP 70 Cb -0.13 -2.26 0.01 0.00 1.07 0.00 0.00 42.92 41.61 2dmb s ASP 70 CO -0.10 0.03 -0.11 -0.63 1.18 0.00 0.00 175.17 175.54 2dmb s ILE 71 N 0.55 1.01 0.08 0.77 1.01 0.67 -1.78 121.20 123.51 2dmb s ILE 71 Ca 0.24 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.49 2dmb s ILE 71 Cb -0.15 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2dmb s ILE 71 CO 0.09 0.31 -0.18 -0.36 0.00 0.00 0.00 174.94 174.80 2dmb s PHE 72 N 0.30 1.51 0.10 3.97 0.40 -1.24 -1.09 117.98 121.94 2dmb s PHE 72 Ca -0.06 -0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 55.59 2dmb s PHE 72 Cb -0.11 -0.84 0.08 0.00 0.51 0.00 0.00 43.02 42.66 2dmb s PHE 72 CO 0.02 0.12 0.71 1.52 0.70 0.00 0.00 175.22 178.29 2dmb s TYR 73 N -1.17 -0.46 0.10 0.36 -0.85 -1.06 -4.07 117.35 110.19 2dmb s TYR 73 Ca 0.03 0.27 0.08 0.00 -0.52 0.00 0.00 57.07 56.92 2dmb s TYR 73 Cb -0.10 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.76 2dmb s TYR 73 CO 0.03 -0.75 -0.19 0.99 -1.52 0.00 0.00 175.55 174.11 2dmb s THR 74 N -3.53 1.59 -0.73 -3.49 2.01 -1.26 -1.10 115.64 109.14 2dmb s THR 74 Ca 0.03 -1.53 -0.14 0.00 0.31 0.00 0.00 61.69 60.36 2dmb s THR 74 Cb -0.01 -1.49 0.19 0.00 0.01 0.00 0.00 72.50 71.20 2dmb s THR 74 CO -0.11 -0.12 0.66 0.00 -0.69 0.00 0.00 174.62 174.36 2dmb s ALA 75 N -1.29 3.92 0.10 7.40 0.00 -1.25 -4.93 121.76 125.72 2dmb s ALA 75 Ca 0.06 -3.09 -0.25 0.00 0.00 0.00 0.00 51.96 48.67 2dmb s ALA 75 Cb -0.09 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 2dmb s ALA 75 CO 0.04 -2.19 1.67 0.00 0.00 0.00 0.00 175.76 175.29 2dmb h ALA 76 N 8.03 -0.29 -3.84 0.00 0.00 -1.94 -1.43 119.26 119.79 2dmb h ALA 76 Ca -0.01 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 2dmb h ALA 76 Cb 1.05 0.26 -0.23 0.00 0.00 0.00 0.00 17.79 18.87 2dmb h ALA 76 CO 0.82 -0.69 -0.85 -1.59 0.00 0.00 0.00 179.25 176.94 2dmb s LYS 77 N -6.12 1.30 0.67 0.00 -2.85 -1.26 -4.62 119.74 106.85 2dmb s LYS 77 Ca -0.15 -1.21 -0.15 0.00 -1.00 0.00 0.00 55.97 53.47 2dmb s LYS 77 Cb 0.07 -1.63 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 2dmb s LYS 77 CO 0.66 0.39 1.11 -1.25 0.10 0.00 0.00 175.35 176.36 2dmb s PRO 78 N -1.85 2.76 0.00 1.78 0.04 -1.26 -4.96 135.00 131.52 2dmb s PRO 78 Ca 0.10 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2dmb s PRO 78 Cb -0.10 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2dmb s PRO 78 CO 0.04 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2dmb n GLY 79 N -0.54 0.34 3.39 0.56 0.00 -1.24 -4.97 105.19 102.72 2dmb n GLY 79 Ca 0.10 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.08 4.50 0.00 2.61 2.01 -1.26 -2.85 115.64 117.56 2dmb s THR 80 Ca 0.00 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2dmb s THR 80 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2dmb s THR 80 CO 0.00 -0.10 0.13 -0.31 -0.69 0.00 0.00 174.62 173.65 2dmb s TYR 81 N 1.56 3.40 -0.23 4.92 1.51 -0.97 -3.38 117.35 124.17 2dmb s TYR 81 Ca 0.03 0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.37 2dmb s TYR 81 Cb -0.18 -1.77 0.05 0.00 -0.11 0.00 0.00 41.96 39.95 2dmb s TYR 81 CO 0.06 0.59 -0.10 0.08 -1.11 0.00 0.00 175.55 175.07 2dmb s VAL 82 N -1.28 1.84 -0.22 0.71 1.01 -0.66 -2.97 120.40 118.83 2dmb s VAL 82 Ca 0.26 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 2dmb s VAL 82 Cb -0.12 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2dmb s VAL 82 CO 0.17 0.05 0.17 -0.63 0.00 0.00 0.00 175.10 174.86 2dmb s ILE 83 N 1.28 5.37 -0.22 2.22 1.01 -1.20 -0.99 121.20 128.67 2dmb s ILE 83 Ca -0.05 0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.75 2dmb s ILE 83 Cb -0.18 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2dmb s ILE 83 CO -0.07 0.38 0.12 -0.31 0.00 0.00 0.00 174.94 175.06 2dmb s TYR 84 N 0.77 3.29 -0.00 3.97 2.02 -0.75 -1.81 117.35 124.83 2dmb s TYR 84 Ca 0.09 0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.95 2dmb s TYR 84 Cb -0.13 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 2dmb s TYR 84 CO 0.02 0.08 -0.09 0.08 -1.57 0.00 0.00 175.55 174.07 2dmb s VAL 85 N 0.81 0.74 0.10 0.71 1.01 -1.26 -2.18 120.40 120.33 2dmb s VAL 85 Ca 0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2dmb s VAL 85 Cb -0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 2dmb s VAL 85 CO 0.02 0.17 0.20 0.00 0.00 0.00 0.00 175.10 175.49 2dmb s ARG 86 N -0.33 0.87 -0.23 2.72 1.70 -1.21 -3.61 118.95 118.86 2dmb s ARG 86 Ca 0.03 -0.98 -0.01 0.00 -0.47 0.00 0.00 55.73 54.30 2dmb s ARG 86 Cb -0.04 0.35 0.07 0.00 -0.57 0.00 0.00 34.95 34.75 2dmb s ARG 86 CO -0.00 -0.28 0.01 0.12 -1.08 0.00 0.00 175.30 174.06 2dmb s PHE 87 N -3.87 1.80 -0.81 5.89 5.36 0.57 -3.33 117.98 123.59 2dmb s PHE 87 Ca 0.06 -1.45 0.00 0.00 -0.96 0.00 0.00 56.93 54.58 2dmb s PHE 87 Cb 0.05 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.30 2dmb s PHE 87 CO -0.10 -0.73 0.00 0.41 -1.46 0.00 0.00 175.22 173.34 2dmb n GLY 88 N 4.83 0.90 0.00 13.12 0.00 -0.66 -2.29 105.19 121.10 2dmb n GLY 88 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.18 1.08 3.18 -0.02 0.00 -1.26 -4.94 105.19 102.05 2dmb n GLY 89 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 2.29 -0.61 1.61 1.01 -0.97 -5.08 120.40 116.65 2dmb s VAL 90 Ca 0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 2dmb s VAL 90 Cb 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.44 2dmb s VAL 90 CO 0.00 0.53 1.41 -0.62 0.00 0.00 0.00 175.10 176.42 2dmb s ASP 91 N 1.07 6.08 0.79 3.32 2.15 -1.26 -0.31 116.67 128.50 2dmb s ASP 91 Ca -0.01 0.11 -0.17 0.00 0.43 0.00 0.00 52.55 52.91 2dmb s ASP 91 Cb -0.14 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 39.82 2dmb s ASP 91 CO -0.06 -1.79 -0.18 2.30 -0.17 0.00 0.00 175.17 175.27 2dmb n ILE 92 N 6.77 0.41 0.97 4.11 -5.35 -1.24 -4.77 119.36 120.27 2dmb n ILE 92 Ca 0.11 -0.44 0.06 0.00 -0.27 0.00 0.00 62.75 62.20 2dmb n ILE 92 Cb 0.49 -0.24 0.33 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 1.03 0.49 0.00 6.28 -0.04 -1.26 -1.78 135.00 139.72 2dmb n PRO 93 Ca 0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 2dmb n PRO 93 Cb 0.52 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.86 1.16 -4.89 3.54 5.03 -1.26 -4.97 115.26 113.01 2dmb n ASN 94 Ca 0.08 -1.08 -0.35 0.00 0.87 0.00 0.00 54.58 54.11 2dmb n ASN 94 Cb 0.04 0.73 -0.05 0.00 -1.02 0.00 0.00 39.78 39.48 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 -2.14 6.45 1.23 6.41 0.15 -0.73 -3.88 113.70 121.18 2dmb s SER 95 Ca 0.09 0.49 -0.19 0.00 0.70 0.00 0.00 55.95 57.05 2dmb s SER 95 Cb 0.12 -2.06 0.28 0.00 -1.71 0.00 0.00 66.02 62.64 2dmb s SER 95 CO 0.50 0.28 0.98 -0.81 1.20 0.00 0.00 173.24 175.39 2dmb n PRO 96 N 1.19 -2.95 -4.02 5.44 -0.04 -1.26 -4.89 135.00 128.47 2dmb n PRO 96 Ca -0.12 -1.57 -0.34 0.00 -0.04 0.00 0.00 63.50 61.43 2dmb n PRO 96 Cb 0.53 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 2dmb n PRO 96 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dmb s PHE 97 N -2.78 3.08 -0.40 0.54 0.40 -0.75 -4.96 117.98 113.10 2dmb s PHE 97 Ca 0.64 -1.80 -0.29 0.00 -0.60 0.00 0.00 56.93 54.88 2dmb s PHE 97 Cb -0.06 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.47 2dmb s PHE 97 CO 0.49 -0.79 1.43 0.99 0.70 0.00 0.00 175.22 178.04 2dmb s THR 98 N 1.25 3.88 -0.22 0.64 2.01 -1.26 -3.24 115.64 118.71 2dmb s THR 98 Ca -0.02 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.91 2dmb s THR 98 Cb -0.17 -4.16 0.05 0.00 0.01 0.00 0.00 72.50 68.22 2dmb s THR 98 CO -0.06 -0.72 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.34 2dmb s VAL 99 N 5.47 1.86 -0.27 3.82 1.01 -1.16 -4.61 120.40 126.53 2dmb s VAL 99 Ca 0.62 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 2dmb s VAL 99 Cb -0.14 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2dmb s VAL 99 CO 0.32 0.15 0.20 -0.32 0.00 0.00 0.00 175.10 175.46 2dmb s MET 100 N 1.29 3.97 -0.06 2.72 1.75 -1.06 -2.28 119.30 125.62 2dmb s MET 100 Ca -0.03 -0.28 -0.15 0.00 -1.25 0.00 0.00 55.69 53.98 2dmb s MET 100 Cb -0.17 -3.64 -0.05 0.00 2.84 0.00 0.00 34.83 33.80 2dmb s MET 100 CO -0.08 -0.16 0.40 0.00 -0.65 0.00 0.00 175.02 174.53 2dmb s ALA 101 N 1.70 3.63 0.04 4.11 0.00 -1.13 -0.14 121.76 129.96 2dmb s ALA 101 Ca 0.08 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 51.85 2dmb s ALA 101 Cb -0.16 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 2dmb s ALA 101 CO 0.10 0.29 -0.23 0.95 0.00 0.00 0.00 175.76 176.87 2dmb s THR 102 N -0.36 1.89 0.55 0.00 -4.23 0.14 -3.72 115.64 109.90 2dmb s THR 102 Ca 0.23 -1.26 0.32 0.00 -1.18 0.00 0.00 61.69 59.80 2dmb s THR 102 Cb -0.15 -1.62 0.36 0.00 1.34 0.00 0.00 72.50 72.42 2dmb s THR 102 CO 0.11 0.31 2.23 -2.24 -0.54 0.00 0.00 174.62 174.48 2dmb h ASP 103 N 4.90 0.00 0.00 3.99 2.03 -1.93 0.12 116.42 125.53 2dmb h ASP 103 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2dmb h ASP 103 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2dmb h ASP 103 CO 0.44 0.03 0.00 0.61 -1.03 0.00 0.00 179.24 179.29 2dmb n GLY 104 N -1.07 2.01 3.72 7.15 0.00 -1.26 -4.18 105.19 111.56 2dmb n GLY 104 Ca -0.03 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2dmb n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmb s GLU 105 N 0.00 4.50 0.13 1.61 2.02 -1.26 -5.06 118.70 120.64 2dmb s GLU 105 Ca 0.00 1.11 0.10 0.00 0.02 0.00 0.00 54.97 56.20 2dmb s GLU 105 Cb 0.00 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2dmb s GLU 105 CO 0.00 0.11 -0.23 0.14 0.02 0.00 0.00 175.26 175.30 2dmb s VAL 106 N 0.55 1.98 0.07 2.63 -7.23 -1.26 -5.02 120.40 112.13 2dmb s VAL 106 Ca 0.42 -1.74 0.07 0.00 -1.81 0.00 0.00 61.98 58.93 2dmb s VAL 106 Cb -0.20 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2dmb s VAL 106 CO 0.23 -0.07 -0.16 0.28 -0.31 0.00 0.00 175.10 175.08 2dmb s THR 107 N -1.35 2.98 -0.12 5.32 -1.32 -1.26 -5.10 115.64 114.79 2dmb s THR 107 Ca 0.12 -1.26 -0.28 0.00 -1.21 0.00 0.00 61.69 59.06 2dmb s THR 107 Cb -0.09 -2.32 -0.01 0.00 -1.51 0.00 0.00 72.50 68.57 2dmb s THR 107 CO 0.06 0.23 0.94 0.00 -2.21 0.00 0.00 174.62 173.65 2dmb s ALA 108 N -1.05 3.43 -0.07 11.08 0.00 -1.26 -5.04 121.76 128.85 2dmb s ALA 108 Ca 0.17 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2dmb s ALA 108 Cb -0.11 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2dmb s ALA 108 CO 0.08 -0.59 -0.14 0.08 0.00 0.00 0.00 175.76 175.20 2dmb s VAL 109 N 1.97 1.27 -0.42 0.00 1.01 -1.26 -5.11 120.40 117.87 2dmb s VAL 109 Ca 0.45 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 2dmb s VAL 109 Cb -0.18 -1.15 0.06 0.00 0.00 0.00 0.00 36.38 35.11 2dmb s VAL 109 CO 0.17 0.39 0.27 -0.70 0.00 0.00 0.00 175.10 175.23 2dmb s GLU 110 N 0.68 2.75 0.62 2.72 2.12 -1.26 -5.07 118.70 121.26 2dmb s GLU 110 Ca -0.14 -1.33 -0.19 0.00 0.36 0.00 0.00 54.97 53.68 2dmb s GLU 110 Cb -0.16 -3.85 -0.02 0.00 0.26 0.00 0.00 34.13 30.36 2dmb s GLU 110 CO 0.04 -0.90 1.28 0.39 -0.54 0.00 0.00 175.26 175.53 2dmb n GLU 111 N 5.01 1.22 -1.75 4.30 -0.58 -1.26 -4.92 120.64 122.65 2dmb n GLU 111 Ca -0.11 0.47 -0.40 0.00 -0.42 0.00 0.00 57.16 56.70 2dmb n GLU 111 Cb 0.44 -2.52 0.02 0.00 -0.57 0.00 0.00 31.44 28.81 2dmb n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dmb n ALA 112 N -1.72 1.95 -1.92 0.62 0.00 -1.26 -4.94 120.51 113.24 2dmb n ALA 112 Ca 0.15 0.26 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 2dmb n ALA 112 Cb 0.47 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 2dmb n ALA 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dmb s PRO 113 N -2.38 4.42 -0.05 0.00 0.04 -1.26 -5.04 135.00 130.73 2dmb s PRO 113 Ca 0.60 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.75 2dmb s PRO 113 Cb -0.46 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.90 2dmb s PRO 113 CO 0.58 -0.17 -0.22 0.54 0.04 0.00 0.00 177.00 177.77 2dmb s VAL 114 N -0.36 1.82 0.12 -0.36 0.11 -1.26 -5.09 120.40 115.38 2dmb s VAL 114 Ca 0.53 -0.94 -0.28 0.00 -2.93 0.00 0.00 61.98 58.36 2dmb s VAL 114 Cb -0.36 -1.54 -0.16 0.00 -1.53 0.00 0.00 36.38 32.79 2dmb s VAL 114 CO 0.42 0.51 0.61 -3.20 -3.33 0.00 0.00 175.10 170.11 2dmb n ASN 115 N 3.00 -0.74 -4.59 3.54 2.85 -1.26 -4.88 115.26 113.18 2dmb n ASN 115 Ca -0.18 1.00 -0.29 0.00 -0.11 0.00 0.00 54.58 55.00 2dmb n ASN 115 Cb 0.52 -0.82 0.21 0.00 1.24 0.00 0.00 39.78 40.93 2dmb n ASN 115 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dmb s ALA 116 N -0.59 0.38 0.16 5.20 0.00 -1.26 -5.05 121.76 120.60 2dmb s ALA 116 Ca 0.64 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.62 2dmb s ALA 116 Cb -0.91 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 18.93 2dmb s ALA 116 CO 0.49 -3.27 -0.14 0.00 0.00 0.00 0.00 175.76 172.85 2dmb s PRO 118 N -2.58 1.01 0.03 0.00 0.04 -1.26 -5.04 135.00 127.20 2dmb s PRO 118 Ca 0.22 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 2dmb s PRO 118 Cb -0.09 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2dmb s PRO 118 CO 0.13 -2.39 0.33 0.45 0.04 0.00 0.00 177.00 175.56 2dmb s SER 119 N -3.44 6.57 0.58 6.66 0.15 -1.26 -5.05 113.70 117.92 2dmb s SER 119 Ca 0.64 0.68 -0.18 0.00 0.70 0.00 0.00 55.95 57.79 2dmb s SER 119 Cb -0.18 -2.14 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 2dmb s SER 119 CO 0.57 0.23 0.66 0.61 1.20 0.00 0.00 173.24 176.51 2dmb n GLY 120 N 1.10 -1.14 3.58 9.45 0.00 -1.26 -4.98 105.19 111.95 2dmb n GLY 120 Ca -0.10 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.31 -1.48 -0.30 1.61 0.04 -1.26 -5.09 135.00 126.20 2dmb s PRO 121 Ca 0.71 -0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.45 2dmb s PRO 121 Cb -0.43 -1.57 0.18 0.00 0.04 0.00 0.00 34.50 32.71 2dmb s PRO 121 CO 0.52 -3.87 1.08 0.45 0.04 0.00 0.00 177.00 175.22 2dmb s SER 122 N -3.97 -0.40 0.08 6.66 0.15 -1.26 -5.07 113.70 109.90 2dmb s SER 122 Ca 0.72 0.27 -0.37 0.00 0.70 0.00 0.00 55.95 57.27 2dmb s SER 122 Cb -0.08 1.34 -0.18 0.00 -1.71 0.00 0.00 66.02 65.39 2dmb s SER 122 CO 0.56 -0.07 1.57 0.28 1.20 0.00 0.00 173.24 176.77 2dmb h SER 123 N 7.95 -1.33 -0.02 5.45 0.02 -2.06 -3.57 113.55 119.99 2dmb h SER 123 Ca -0.13 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2dmb h SER 123 Cb 1.17 0.41 0.00 0.00 0.14 0.00 0.00 62.40 64.13 2dmb h SER 123 CO -0.10 -0.72 0.00 0.61 -1.14 0.00 0.00 176.83 175.48