#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 0.03 0.30 1.61 1.04 -1.26 -5.18 113.70 110.24 2dmb s SER 2 Ca 0.00 -1.10 0.08 0.00 0.48 0.00 0.00 55.95 55.41 2dmb s SER 2 Cb 0.00 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 2dmb s SER 2 CO 0.00 -0.98 -0.09 -0.94 0.98 0.00 0.00 173.24 172.21 2dmb s SER 3 N -3.06 3.22 0.00 7.02 1.04 -1.26 -5.11 113.70 115.55 2dmb s SER 3 Ca 0.28 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2dmb s SER 3 Cb 0.03 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2dmb s SER 3 CO 0.08 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2dmb n GLY 4 N -0.66 2.35 3.57 7.32 0.00 -1.26 -5.07 105.19 111.44 2dmb n GLY 4 Ca -0.05 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 5.01 -0.40 1.61 0.01 -1.26 -4.91 113.70 113.75 2dmb s SER 5 Ca 0.00 1.32 0.03 0.00 1.31 0.00 0.00 55.95 58.61 2dmb s SER 5 Cb 0.00 -2.51 0.11 0.00 0.21 0.00 0.00 66.02 63.83 2dmb s SER 5 CO 0.00 -2.40 0.14 -0.55 0.41 0.00 0.00 173.24 170.84 2dmb s SER 6 N 9.86 4.44 -0.29 2.44 0.15 -1.26 -5.06 113.70 123.98 2dmb s SER 6 Ca 0.94 -2.41 -0.15 0.00 0.70 0.00 0.00 55.95 55.03 2dmb s SER 6 Cb -0.23 -1.49 0.14 0.00 -1.71 0.00 0.00 66.02 62.73 2dmb s SER 6 CO 0.29 -0.33 0.90 -0.83 1.20 0.00 0.00 173.24 174.47 2dmb s GLY 7 N 0.55 -0.26 0.09 9.45 0.00 -1.26 -5.16 107.32 110.73 2dmb s GLY 7 Ca 0.13 2.90 -0.10 0.00 0.00 0.00 0.00 44.72 47.65 2dmb s GLY 7 CO -0.07 2.86 0.22 -1.08 0.00 0.00 0.00 173.10 175.04 2dmb s THR 8 N 2.00 0.13 0.01 0.90 -1.32 -1.26 -5.06 115.64 111.04 2dmb s THR 8 Ca -0.06 -1.05 -0.29 0.00 -1.21 0.00 0.00 61.69 59.08 2dmb s THR 8 Cb -0.06 -1.26 0.11 0.00 -1.51 0.00 0.00 72.50 69.78 2dmb s THR 8 CO -0.17 -0.58 1.25 -0.83 -2.21 0.00 0.00 174.62 172.08 2dmb s GLY 9 N -2.76 -0.30 0.23 6.08 0.00 -1.25 -3.58 107.32 105.75 2dmb s GLY 9 Ca 0.03 0.43 0.08 0.00 0.00 0.00 0.00 44.72 45.26 2dmb s GLY 9 CO -0.10 1.53 0.03 0.51 0.00 0.00 0.00 173.10 175.06 2dmb s ASP 10 N -3.20 4.77 -0.16 1.64 -4.77 -0.88 -4.99 116.67 109.08 2dmb s ASP 10 Ca 0.18 -0.49 0.04 0.00 -3.30 0.00 0.00 52.55 48.97 2dmb s ASP 10 Cb 0.03 -0.99 -0.13 0.00 -1.09 0.00 0.00 42.92 40.74 2dmb s ASP 10 CO -0.02 0.03 -0.11 0.00 0.70 0.00 0.00 175.17 175.77 2dmb n ALA 11 N -0.65 1.64 -0.30 2.11 0.00 -1.26 -4.34 120.51 117.70 2dmb n ALA 11 Ca -0.08 -0.78 0.22 0.00 0.00 0.00 0.00 53.44 52.81 2dmb n ALA 11 Cb 0.57 0.07 0.52 0.00 0.00 0.00 0.00 19.45 20.61 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 0.00 0.41 -0.16 0.00 4.64 -1.95 0.17 113.55 116.67 2dmb h SER 12 Ca -0.38 0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 60.79 2dmb h SER 12 Cb 1.66 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.75 2dmb h SER 12 CO -0.04 0.11 -0.72 0.11 -0.87 0.00 0.00 176.83 175.41 2dmb h LYS 13 N 0.38 0.79 -6.45 4.77 1.79 -1.97 -3.45 116.57 112.43 2dmb h LYS 13 Ca 0.55 -0.61 -0.62 0.00 -2.18 0.00 0.00 60.65 57.80 2dmb h LYS 13 Cb 1.44 0.12 0.10 0.00 -1.58 0.00 0.00 32.23 32.30 2dmb h LYS 13 CO -0.24 1.23 0.26 0.00 -1.08 0.00 0.00 179.45 179.62 2dmb s LEU 15 N 0.42 2.22 -0.23 0.00 1.43 -0.96 -5.02 118.68 116.54 2dmb s LEU 15 Ca 0.65 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2dmb s LEU 15 Cb -0.74 -0.88 0.05 0.00 0.03 0.00 0.00 46.19 44.65 2dmb s LEU 15 CO 0.56 0.10 -0.11 0.00 0.23 0.00 0.00 176.35 177.12 2dmb s ALA 16 N -0.95 2.33 -0.14 4.21 0.00 -1.26 -0.12 121.76 125.82 2dmb s ALA 16 Ca 0.06 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.52 2dmb s ALA 16 Cb -0.09 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2dmb s ALA 16 CO 0.03 -1.00 -0.19 0.95 0.00 0.00 0.00 175.76 175.55 2dmb s THR 17 N 1.23 2.33 0.00 0.00 -4.23 -0.76 -4.99 115.64 109.22 2dmb s THR 17 Ca -0.05 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 2dmb s THR 17 Cb -0.18 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2dmb s THR 17 CO -0.07 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 2dmb n GLY 18 N 4.04 2.53 0.22 3.99 0.00 -1.26 -1.50 105.19 113.21 2dmb n GLY 18 Ca -0.20 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 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 0.54 -0.46 1.61 0.13 -1.97 -2.67 132.00 129.17 2dmb h PRO 19 Ca 0.00 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2dmb h PRO 19 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2dmb h PRO 19 CO 0.00 0.87 0.25 0.78 -0.23 0.00 0.00 178.00 179.67 2dmb h GLY 20 N 1.07 0.67 1.50 1.56 0.00 -1.91 -1.78 103.07 104.18 2dmb h GLY 20 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2dmb h GLY 20 CO 0.08 0.27 -0.46 0.16 0.00 0.00 0.00 176.54 176.60 2dmb h ILE 21 N 0.64 0.00 -1.78 2.60 3.07 -1.93 -3.47 117.51 116.64 2dmb h ILE 21 Ca 0.17 -0.82 -0.66 0.00 1.55 0.00 0.00 64.86 65.09 2dmb h ILE 21 Cb 0.02 1.57 0.08 0.00 -0.27 0.00 0.00 36.82 38.21 2dmb h ILE 21 CO -0.03 0.00 0.21 0.00 -1.05 0.00 0.00 178.15 177.28 2dmb n ALA 22 N -2.02 -1.19 -0.27 0.16 0.00 -0.67 -4.76 120.51 111.76 2dmb n ALA 22 Ca 0.03 0.48 0.27 0.00 0.00 0.00 0.00 53.44 54.21 2dmb n ALA 22 Cb 0.50 -1.98 0.49 0.00 0.00 0.00 0.00 19.45 18.47 2dmb n ALA 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dmb n SER 23 N 1.99 0.28 -4.25 0.00 7.64 -1.26 -4.25 113.62 113.77 2dmb n SER 23 Ca 0.16 1.41 -0.24 0.00 1.01 0.00 0.00 58.87 61.20 2dmb n SER 23 Cb 0.23 -0.68 -0.13 0.00 -1.01 0.00 0.00 64.21 62.61 2dmb n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dmb s THR 24 N -5.31 1.62 0.26 0.44 -4.23 -1.26 -0.62 115.64 106.54 2dmb s THR 24 Ca -0.08 -1.33 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 2dmb s THR 24 Cb 0.29 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 2dmb s THR 24 CO 0.66 0.06 0.40 0.68 -0.54 0.00 0.00 174.62 175.88 2dmb s VAL 25 N -0.97 0.00 -0.10 2.29 -7.23 0.07 -4.87 120.40 109.59 2dmb s VAL 25 Ca 0.06 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 58.61 2dmb s VAL 25 Cb -0.09 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2dmb s VAL 25 CO 0.03 0.00 0.03 -0.75 -0.31 0.00 0.00 175.10 174.10 2dmb s LYS 26 N -3.83 3.14 0.61 4.82 2.20 -1.26 -0.54 119.74 124.87 2dmb s LYS 26 Ca 0.28 -0.36 -0.13 0.00 -0.36 0.00 0.00 55.97 55.41 2dmb s LYS 26 Cb 0.01 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 2dmb s LYS 26 CO 0.12 0.68 1.03 0.95 -0.36 0.00 0.00 175.35 177.77 2dmb s THR 27 N -0.80 4.48 0.00 3.43 -4.23 -0.68 -3.86 115.64 113.97 2dmb s THR 27 Ca 0.12 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 2dmb s THR 27 Cb -0.12 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.01 2dmb s THR 27 CO 0.02 -0.94 0.00 0.61 -0.54 0.00 0.00 174.62 173.77 2dmb n GLY 28 N -2.21 1.13 3.75 3.99 0.00 0.10 -4.92 105.19 107.03 2dmb n GLY 28 Ca 0.07 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 4.67 -0.44 1.61 2.02 -1.25 -4.76 118.70 120.54 2dmb s GLU 29 Ca 0.00 1.69 -0.26 0.00 0.02 0.00 0.00 54.97 56.42 2dmb s GLU 29 Cb 0.00 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 31.00 2dmb s GLU 29 CO 0.00 0.22 0.93 -2.00 0.02 0.00 0.00 175.26 174.43 2dmb s GLU 30 N -0.87 3.61 0.77 1.61 2.12 -1.26 -4.34 118.70 120.34 2dmb s GLU 30 Ca 0.46 0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.98 2dmb s GLU 30 Cb -0.29 -3.90 0.11 0.00 0.26 0.00 0.00 34.13 30.31 2dmb s GLU 30 CO 0.36 -1.17 1.09 0.14 -0.54 0.00 0.00 175.26 175.14 2dmb s VAL 31 N 3.73 2.17 -0.29 3.70 -7.23 -0.83 -4.94 120.40 116.71 2dmb s VAL 31 Ca 0.38 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.33 2dmb s VAL 31 Cb -0.10 -2.91 0.19 0.00 0.56 0.00 0.00 36.38 34.11 2dmb s VAL 31 CO 0.25 0.00 0.54 -0.83 -0.31 0.00 0.00 175.10 174.75 2dmb s GLY 32 N -4.65 -1.06 0.12 2.32 0.00 -1.26 -3.25 107.32 99.54 2dmb s GLY 32 Ca 0.65 0.88 0.06 0.00 0.00 0.00 0.00 44.72 46.31 2dmb s GLY 32 CO 0.47 3.49 -0.04 -0.11 0.00 0.00 0.00 173.10 176.90 2dmb s PHE 33 N 2.75 2.84 0.01 1.90 -0.71 0.20 -4.26 117.98 120.71 2dmb s PHE 33 Ca 0.11 -0.11 0.02 0.00 -1.04 0.00 0.00 56.93 55.90 2dmb s PHE 33 Cb -0.11 -1.45 -0.01 0.00 -1.21 0.00 0.00 43.02 40.24 2dmb s PHE 33 CO -0.27 0.47 -0.05 0.54 -1.34 0.00 0.00 175.22 174.57 2dmb s VAL 34 N -1.40 0.38 -0.20 -2.49 0.11 -0.56 0.05 120.40 116.30 2dmb s VAL 34 Ca 0.25 -0.43 -0.19 0.00 -2.93 0.00 0.00 61.98 58.67 2dmb s VAL 34 Cb -0.11 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2dmb s VAL 34 CO 0.17 -0.04 0.57 -0.69 -3.33 0.00 0.00 175.10 171.77 2dmb s VAL 35 N -0.46 5.07 -0.16 2.04 1.01 -0.74 -1.84 120.40 125.33 2dmb s VAL 35 Ca -0.02 1.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 2dmb s VAL 35 Cb -0.04 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2dmb s VAL 35 CO -0.00 0.15 0.47 -0.62 0.00 0.00 0.00 175.10 175.10 2dmb s ASP 36 N 1.16 6.60 -0.08 3.32 -1.08 0.82 -3.08 116.67 124.33 2dmb s ASP 36 Ca 0.26 0.71 0.01 0.00 -0.52 0.00 0.00 52.55 53.02 2dmb s ASP 36 Cb -0.16 -2.27 0.02 0.00 -1.46 0.00 0.00 42.92 39.05 2dmb s ASP 36 CO 0.10 -0.06 -0.10 0.00 0.52 0.00 0.00 175.17 175.63 2dmb s ALA 37 N 1.03 1.26 0.00 3.66 0.00 -1.26 -2.26 121.76 124.19 2dmb s ALA 37 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2dmb s ALA 37 Cb -0.15 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2dmb s ALA 37 CO 0.09 -0.11 0.00 0.36 0.00 0.00 0.00 175.76 176.11 2dmb n LYS 38 N 4.28 0.00 -0.05 0.00 2.85 -1.26 -4.80 118.16 119.18 2dmb n LYS 38 Ca -0.19 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.05 2dmb n LYS 38 Cb 0.51 -0.33 -0.12 0.00 -0.65 0.00 0.00 35.03 34.44 2dmb n LYS 38 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2dmb n THR 39 N -2.68 0.64 -0.42 0.58 5.66 -1.26 -4.52 114.28 112.28 2dmb n THR 39 Ca 0.00 -0.52 0.35 0.00 -3.05 0.00 0.00 64.05 60.83 2dmb n THR 39 Cb 0.27 -0.34 0.59 0.00 -1.55 0.00 0.00 70.33 69.29 2dmb n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmb n ALA 40 N -2.36 1.20 0.00 1.79 0.00 -1.26 -4.85 120.51 115.03 2dmb n ALA 40 Ca -0.16 0.73 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2dmb n ALA 40 Cb 0.77 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.47 0.81 3.92 0.00 0.00 -1.26 -2.06 105.19 105.12 2dmb n GLY 41 Ca 0.35 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 3.57 0.00 1.61 2.20 -1.23 -4.97 119.74 120.91 2dmb s LYS 42 Ca 0.00 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2dmb s LYS 42 Cb 0.00 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2dmb s LYS 42 CO 0.00 0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.76 2dmb n GLY 43 N -0.60 4.13 3.84 5.54 0.00 -1.26 -3.81 105.19 113.04 2dmb n GLY 43 Ca -0.03 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.85 3.03 -0.20 1.61 1.02 -1.26 -4.74 119.74 116.35 2dmb s LYS 44 Ca 0.00 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.10 2dmb s LYS 44 Cb 0.00 -2.68 0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2dmb s LYS 44 CO 0.00 0.45 -0.08 0.08 -0.92 0.00 0.00 175.35 174.88 2dmb s VAL 45 N -1.91 1.50 -0.05 3.17 1.01 -1.26 -0.85 120.40 122.01 2dmb s VAL 45 Ca 0.32 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2dmb s VAL 45 Cb -0.09 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2dmb s VAL 45 CO 0.25 0.11 0.06 0.42 0.00 0.00 0.00 175.10 175.95 2dmb s THR 46 N 1.45 4.71 0.09 3.92 -4.23 -1.25 -4.98 115.64 115.36 2dmb s THR 46 Ca -0.02 -0.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.33 2dmb s THR 46 Cb -0.16 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 2dmb s THR 46 CO -0.08 0.48 -0.24 0.00 -0.54 0.00 0.00 174.62 174.24 2dmb s THR 48 N -0.99 -0.29 -0.29 0.00 2.01 -1.00 -4.57 115.64 110.51 2dmb s THR 48 Ca 0.10 -0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 2dmb s THR 48 Cb -0.10 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.71 2dmb s THR 48 CO 0.04 -0.27 1.02 -0.69 -0.69 0.00 0.00 174.62 174.03 2dmb s VAL 49 N 2.29 4.61 -0.25 3.82 1.01 -1.19 -2.07 120.40 128.63 2dmb s VAL 49 Ca 0.07 1.76 -0.07 0.00 0.00 0.00 0.00 61.98 63.74 2dmb s VAL 49 Cb -0.16 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 2dmb s VAL 49 CO -0.15 -0.34 0.05 -0.22 0.00 0.00 0.00 175.10 174.45 2dmb s LEU 50 N 3.38 3.37 0.31 3.92 0.20 -0.16 -1.52 118.68 128.19 2dmb s LEU 50 Ca 0.43 -0.26 -0.16 0.00 0.69 0.00 0.00 54.13 54.83 2dmb s LEU 50 Cb -0.13 -1.89 -0.09 0.00 -0.43 0.00 0.00 46.19 43.65 2dmb s LEU 50 CO 0.12 -0.04 0.74 0.42 -0.29 0.00 0.00 176.35 177.29 2dmb s THR 51 N 1.59 4.66 -1.51 3.68 -4.23 -1.09 -1.19 115.64 117.55 2dmb s THR 51 Ca 0.06 0.99 0.15 0.00 -1.18 0.00 0.00 61.69 61.71 2dmb s THR 51 Cb -0.15 -3.64 0.28 0.00 1.34 0.00 0.00 72.50 70.33 2dmb s THR 51 CO 0.02 -0.14 1.39 -0.81 -0.54 0.00 0.00 174.62 174.55 2dmb n PRO 52 N -0.24 0.25 0.07 3.99 -0.04 -1.15 -2.38 135.00 135.50 2dmb n PRO 52 Ca 0.03 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.58 2dmb n PRO 52 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 5.19 -1.92 -3.48 116.42 119.74 2dmb h ASP 53 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2dmb h ASP 53 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 2dmb h ASP 53 CO 0.00 0.82 0.00 0.61 -3.12 0.00 0.00 179.24 177.55 2dmb n GLY 54 N 1.34 1.58 3.01 2.75 0.00 -1.00 -5.14 105.19 107.73 2dmb n GLY 54 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 0.71 -0.41 2.61 -4.23 -1.26 -5.04 115.64 106.03 2dmb s THR 55 Ca 0.00 -0.37 -0.21 0.00 -1.18 0.00 0.00 61.69 59.93 2dmb s THR 55 Cb 0.00 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 73.25 2dmb s THR 55 CO 0.00 0.21 0.64 -1.61 -0.54 0.00 0.00 174.62 173.32 2dmb s GLU 56 N -0.11 3.42 0.19 3.99 2.02 -1.26 -2.68 118.70 124.27 2dmb s GLU 56 Ca 0.02 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 54.79 2dmb s GLU 56 Cb -0.05 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2dmb s GLU 56 CO -0.00 -0.92 0.37 0.00 0.02 0.00 0.00 175.26 174.73 2dmb s ALA 57 N 2.80 3.86 0.20 5.21 0.00 -0.58 -5.05 121.76 128.20 2dmb s ALA 57 Ca 0.23 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 2dmb s ALA 57 Cb -0.14 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2dmb s ALA 57 CO 0.18 0.47 0.40 -1.83 0.00 0.00 0.00 175.76 174.99 2dmb s GLU 58 N -3.26 3.55 -0.07 0.00 4.04 -1.26 -3.16 118.70 118.55 2dmb s GLU 58 Ca 0.38 -0.24 0.02 0.00 0.04 0.00 0.00 54.97 55.17 2dmb s GLU 58 Cb -0.11 -2.82 0.01 0.00 0.02 0.00 0.00 34.13 31.23 2dmb s GLU 58 CO 0.29 0.40 -0.14 0.00 -1.84 0.00 0.00 175.26 173.97 2dmb s ALA 59 N -1.84 1.38 0.04 -0.84 0.00 -1.26 -4.85 121.76 114.39 2dmb s ALA 59 Ca 0.40 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 2dmb s ALA 59 Cb -0.11 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.33 2dmb s ALA 59 CO 0.28 0.12 1.43 -0.51 0.00 0.00 0.00 175.76 177.08 2dmb s ASP 60 N 0.66 6.81 0.02 0.00 1.01 -1.25 -4.92 116.67 119.01 2dmb s ASP 60 Ca -0.14 2.23 0.07 0.00 0.71 0.00 0.00 52.55 55.42 2dmb s ASP 60 Cb -0.16 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 2dmb s ASP 60 CO 0.04 -0.72 -0.20 -0.69 0.21 0.00 0.00 175.17 173.80 2dmb s VAL 61 N 2.04 2.60 -0.17 -1.27 1.01 -1.26 -3.20 120.40 120.15 2dmb s VAL 61 Ca 0.65 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 2dmb s VAL 61 Cb -0.34 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.05 2dmb s VAL 61 CO 0.28 0.40 0.05 -0.63 0.00 0.00 0.00 175.10 175.20 2dmb s ILE 62 N -0.84 0.31 0.61 2.22 1.09 0.22 -4.94 121.20 119.87 2dmb s ILE 62 Ca 0.13 -0.33 -0.13 0.00 -1.10 0.00 0.00 60.65 59.23 2dmb s ILE 62 Cb -0.10 -0.81 -0.04 0.00 -1.06 0.00 0.00 42.46 40.45 2dmb s ILE 62 CO 0.03 -0.16 1.03 -1.83 -0.10 0.00 0.00 174.94 173.91 2dmb s GLU 63 N 1.96 3.55 0.21 2.79 -1.05 -1.26 -0.18 118.70 124.72 2dmb s GLU 63 Ca 0.01 0.87 0.06 0.00 -0.15 0.00 0.00 54.97 55.75 2dmb s GLU 63 Cb -0.16 -2.07 -0.05 0.00 -0.44 0.00 0.00 34.13 31.41 2dmb s GLU 63 CO -0.08 -0.61 -0.08 -0.80 0.95 0.00 0.00 175.26 174.64 2dmb s ASN 64 N -3.75 2.26 0.41 0.83 0.01 -0.20 -4.92 114.94 109.58 2dmb s ASN 64 Ca 0.57 -1.10 0.16 0.00 -0.71 0.00 0.00 52.86 51.77 2dmb s ASN 64 Cb -0.12 -0.08 0.90 0.00 0.41 0.00 0.00 41.25 42.36 2dmb s ASN 64 CO 0.48 -0.33 1.90 -0.33 -1.51 0.00 0.00 177.10 177.31 2dmb h GLU 65 N 2.53 0.00 0.00 -0.60 5.08 -1.98 -2.12 114.58 117.48 2dmb h GLU 65 Ca -0.38 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 2dmb h GLU 65 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2dmb h GLU 65 CO 0.64 0.29 -0.17 0.22 -1.00 0.00 0.00 179.01 178.99 2dmb h ASP 66 N 0.00 0.00 0.00 1.42 3.58 -1.98 -3.47 116.42 115.97 2dmb h ASP 66 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dmb h ASP 66 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2dmb h ASP 66 CO 0.04 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.18 2dmb n GLY 67 N 0.88 1.69 3.58 -0.78 0.00 -0.80 -4.90 105.19 104.87 2dmb n GLY 67 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 4.29 -0.30 2.61 -4.23 -1.26 -4.00 115.64 110.75 2dmb s THR 68 Ca 0.00 -0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.21 2dmb s THR 68 Cb 0.00 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 70.96 2dmb s THR 68 CO 0.00 0.50 0.10 -0.31 -0.54 0.00 0.00 174.62 174.37 2dmb s TYR 69 N 0.15 3.16 -0.11 3.99 1.51 -1.18 -1.03 117.35 123.84 2dmb s TYR 69 Ca 0.01 -0.89 -0.20 0.00 -1.01 0.00 0.00 57.07 54.98 2dmb s TYR 69 Cb -0.13 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 2dmb s TYR 69 CO 0.02 -0.55 0.56 -0.51 -1.11 0.00 0.00 175.55 173.95 2dmb s ASP 70 N 1.53 6.78 0.01 2.29 1.01 0.74 -1.78 116.67 127.24 2dmb s ASP 70 Ca 0.03 0.93 0.04 0.00 0.71 0.00 0.00 52.55 54.26 2dmb s ASP 70 Cb -0.17 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 2dmb s ASP 70 CO 0.03 -0.06 -0.12 -0.63 0.21 0.00 0.00 175.17 174.61 2dmb s ILE 71 N 0.78 0.96 0.03 0.77 1.01 0.11 -0.61 121.20 124.25 2dmb s ILE 71 Ca 0.30 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2dmb s ILE 71 Cb -0.16 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 2dmb s ILE 71 CO 0.13 0.17 -0.06 -0.36 0.00 0.00 0.00 174.94 174.82 2dmb s PHE 72 N -0.46 0.49 0.19 3.97 0.40 -1.19 -0.63 117.98 120.74 2dmb s PHE 72 Ca 0.03 -0.47 -0.23 0.00 -0.60 0.00 0.00 56.93 55.67 2dmb s PHE 72 Cb -0.06 -0.31 0.05 0.00 0.51 0.00 0.00 43.02 43.22 2dmb s PHE 72 CO 0.00 -0.11 0.68 1.52 0.70 0.00 0.00 175.22 178.01 2dmb s TYR 73 N -1.28 -0.38 0.02 0.36 1.13 -1.20 -3.90 117.35 112.09 2dmb s TYR 73 Ca -0.11 0.09 0.05 0.00 -1.41 0.00 0.00 57.07 55.69 2dmb s TYR 73 Cb -0.09 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.37 2dmb s TYR 73 CO -0.00 -0.96 -0.16 0.99 -2.51 0.00 0.00 175.55 172.91 2dmb s THR 74 N -3.74 1.27 -0.59 -3.49 2.01 -1.26 -1.97 115.64 107.87 2dmb s THR 74 Ca 0.05 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 2dmb s THR 74 Cb -0.03 -1.10 0.15 0.00 0.01 0.00 0.00 72.50 71.53 2dmb s THR 74 CO -0.05 0.19 0.51 0.00 -0.69 0.00 0.00 174.62 174.59 2dmb s ALA 75 N -0.62 3.67 0.12 7.40 0.00 -1.26 -4.94 121.76 126.12 2dmb s ALA 75 Ca 0.05 -2.74 -0.28 0.00 0.00 0.00 0.00 51.96 48.98 2dmb s ALA 75 Cb -0.07 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 2dmb s ALA 75 CO 0.01 -2.05 1.61 0.00 0.00 0.00 0.00 175.76 175.33 2dmb h ALA 76 N 8.44 -0.54 -3.25 0.00 0.00 -1.95 0.29 119.26 122.25 2dmb h ALA 76 Ca -0.18 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.16 2dmb h ALA 76 Cb 1.07 0.59 -0.20 0.00 0.00 0.00 0.00 17.79 19.26 2dmb h ALA 76 CO 0.92 -0.87 -0.80 -1.59 0.00 0.00 0.00 179.25 176.90 2dmb s LYS 77 N -5.98 1.23 0.92 0.00 0.00 -1.26 -4.52 119.74 110.12 2dmb s LYS 77 Ca -0.16 -1.31 -0.12 0.00 0.00 0.00 0.00 55.97 54.38 2dmb s LYS 77 Cb 0.09 -1.39 0.14 0.00 0.00 0.00 0.00 37.83 36.67 2dmb s LYS 77 CO 0.65 0.30 1.09 -1.25 0.00 0.00 0.00 175.35 176.14 2dmb s PRO 78 N -2.42 1.07 0.00 1.78 0.04 -1.26 -4.94 135.00 129.26 2dmb s PRO 78 Ca 0.12 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2dmb s PRO 78 Cb -0.08 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2dmb s PRO 78 CO 0.06 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 175.16 2dmb n GLY 79 N -1.13 0.22 3.09 0.56 0.00 -1.08 -4.99 105.19 101.86 2dmb n GLY 79 Ca 0.07 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.00 2.29 -0.16 2.61 2.01 -1.26 -3.03 115.64 114.09 2dmb s THR 80 Ca 0.00 -1.51 -0.07 0.00 0.31 0.00 0.00 61.69 60.42 2dmb s THR 80 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2dmb s THR 80 CO 0.00 0.03 0.09 -0.31 -0.69 0.00 0.00 174.62 173.74 2dmb s TYR 81 N 1.15 3.36 -0.28 4.92 1.51 -0.82 -2.94 117.35 124.24 2dmb s TYR 81 Ca -0.07 0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 56.23 2dmb s TYR 81 Cb -0.19 -2.03 0.05 0.00 -0.11 0.00 0.00 41.96 39.68 2dmb s TYR 81 CO -0.05 0.36 -0.03 0.08 -1.11 0.00 0.00 175.55 174.80 2dmb s VAL 82 N -0.13 2.83 -0.22 0.71 1.01 -0.33 -2.31 120.40 121.96 2dmb s VAL 82 Ca 0.08 -1.36 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 2dmb s VAL 82 Cb -0.12 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2dmb s VAL 82 CO 0.01 -0.04 0.12 -0.63 0.00 0.00 0.00 175.10 174.56 2dmb s ILE 83 N 1.24 5.06 -0.24 2.22 1.01 -1.21 -0.99 121.20 128.29 2dmb s ILE 83 Ca -0.05 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 2dmb s ILE 83 Cb -0.19 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2dmb s ILE 83 CO -0.02 0.38 0.20 -0.31 0.00 0.00 0.00 174.94 175.19 2dmb s TYR 84 N 0.90 3.31 -0.01 3.97 2.02 -0.88 -1.38 117.35 125.27 2dmb s TYR 84 Ca 0.06 0.27 0.03 0.00 -0.37 0.00 0.00 57.07 57.06 2dmb s TYR 84 Cb -0.13 -2.33 -0.00 0.00 -0.40 0.00 0.00 41.96 39.09 2dmb s TYR 84 CO 0.03 0.02 -0.10 0.08 -1.57 0.00 0.00 175.55 174.01 2dmb s VAL 85 N 1.22 0.79 0.27 0.71 1.01 -1.26 -2.39 120.40 120.75 2dmb s VAL 85 Ca 0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2dmb s VAL 85 Cb -0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 2dmb s VAL 85 CO 0.06 0.23 0.32 0.00 0.00 0.00 0.00 175.10 175.71 2dmb s ARG 86 N -0.10 1.56 -0.12 2.72 1.70 -1.23 -3.19 118.95 120.28 2dmb s ARG 86 Ca 0.02 -1.64 -0.02 0.00 -0.47 0.00 0.00 55.73 53.61 2dmb s ARG 86 Cb -0.05 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.74 2dmb s ARG 86 CO -0.00 -0.59 0.03 0.12 -1.08 0.00 0.00 175.30 173.77 2dmb s PHE 87 N -3.72 0.66 -1.49 5.89 5.36 0.99 -3.82 117.98 121.84 2dmb s PHE 87 Ca 0.33 -0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 55.84 2dmb s PHE 87 Cb 0.03 -0.82 0.07 0.00 -0.34 0.00 0.00 43.02 41.95 2dmb s PHE 87 CO 0.16 -0.42 1.02 0.41 -1.46 0.00 0.00 175.22 174.93 2dmb n GLY 88 N 5.15 -0.50 2.05 13.12 0.00 -0.03 -1.47 105.19 123.50 2dmb n GLY 88 Ca -0.07 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.75 0.32 2.70 -0.02 0.00 -1.26 -4.95 105.19 100.23 2dmb n GLY 89 Ca 0.02 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.11 0.41 -0.30 1.61 1.01 -0.54 -5.10 120.40 115.38 2dmb s VAL 90 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 2dmb s VAL 90 Cb 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2dmb s VAL 90 CO 0.00 -0.32 1.90 -0.62 0.00 0.00 0.00 175.10 176.07 2dmb s ASP 91 N 1.90 5.78 0.83 3.32 2.15 -1.26 -0.01 116.67 129.38 2dmb s ASP 91 Ca 0.01 1.45 -0.15 0.00 0.43 0.00 0.00 52.55 54.29 2dmb s ASP 91 Cb -0.17 -2.52 -0.03 0.00 -0.30 0.00 0.00 42.92 39.90 2dmb s ASP 91 CO -0.12 -1.77 0.29 2.30 -0.17 0.00 0.00 175.17 175.69 2dmb n ILE 92 N 7.50 0.83 0.98 4.11 -5.35 -1.19 -4.80 119.36 121.44 2dmb n ILE 92 Ca 0.25 -0.34 0.05 0.00 -0.27 0.00 0.00 62.75 62.44 2dmb n ILE 92 Cb 0.46 -0.57 0.30 0.00 -1.74 0.00 0.00 39.64 38.09 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 -0.57 0.49 -0.07 6.28 -0.04 -1.26 -2.19 135.00 137.64 2dmb n PRO 93 Ca 0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 2dmb n PRO 93 Cb 0.52 -1.32 -0.16 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.21 -4.78 3.54 3.02 -1.26 -4.96 115.26 110.21 2dmb n ASN 94 Ca 0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.26 2dmb n ASN 94 Cb 0.03 1.23 -0.05 0.00 -0.61 0.00 0.00 39.78 40.39 2dmb n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dmb s SER 95 N -5.13 7.06 1.04 6.41 0.15 -0.93 -4.05 113.70 118.25 2dmb s SER 95 Ca -0.09 1.95 -0.14 0.00 0.70 0.00 0.00 55.95 58.38 2dmb s SER 95 Cb 0.08 -2.58 0.21 0.00 -1.71 0.00 0.00 66.02 62.02 2dmb s SER 95 CO 0.81 -0.28 1.09 -2.16 1.20 0.00 0.00 173.24 173.91 2dmb s PRO 96 N -2.26 0.06 -0.44 5.44 0.04 -1.26 -4.90 135.00 131.67 2dmb s PRO 96 Ca 0.54 0.40 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 2dmb s PRO 96 Cb -0.21 -1.70 0.11 0.00 0.04 0.00 0.00 34.50 32.74 2dmb s PRO 96 CO 0.26 -2.95 0.29 -0.06 0.04 0.00 0.00 177.00 174.58 2dmb s PHE 97 N -2.97 3.44 -0.38 0.56 0.40 -0.48 -4.96 117.98 113.59 2dmb s PHE 97 Ca 0.66 -1.93 -0.28 0.00 -0.60 0.00 0.00 56.93 54.78 2dmb s PHE 97 Cb -0.17 -3.32 -0.03 0.00 0.51 0.00 0.00 43.02 40.01 2dmb s PHE 97 CO 0.57 -0.96 1.99 0.99 0.70 0.00 0.00 175.22 178.51 2dmb s THR 98 N 1.32 3.29 -0.24 0.64 2.01 -1.26 -3.34 115.64 118.06 2dmb s THR 98 Ca 0.06 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.34 2dmb s THR 98 Cb -0.25 -3.47 0.04 0.00 0.01 0.00 0.00 72.50 68.83 2dmb s THR 98 CO -0.01 -0.36 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.74 2dmb s VAL 99 N 8.39 2.21 -0.41 3.82 1.01 -0.98 -4.34 120.40 130.10 2dmb s VAL 99 Ca 0.84 -1.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 2dmb s VAL 99 Cb -0.22 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.00 2dmb s VAL 99 CO 0.30 0.16 0.61 -0.32 0.00 0.00 0.00 175.10 175.85 2dmb s MET 100 N 1.18 3.40 -0.63 2.72 1.75 0.21 -1.94 119.30 125.99 2dmb s MET 100 Ca -0.04 -0.28 -0.23 0.00 -1.25 0.00 0.00 55.69 53.89 2dmb s MET 100 Cb -0.18 -3.90 0.06 0.00 2.84 0.00 0.00 34.83 33.66 2dmb s MET 100 CO -0.07 -0.89 0.93 0.00 -0.65 0.00 0.00 175.02 174.33 2dmb s ALA 101 N 2.70 3.15 0.29 4.11 0.00 -1.17 -0.75 121.76 130.09 2dmb s ALA 101 Ca 0.22 -1.73 -0.24 0.00 0.00 0.00 0.00 51.96 50.21 2dmb s ALA 101 Cb -0.15 -3.79 -0.09 0.00 0.00 0.00 0.00 23.12 19.09 2dmb s ALA 101 CO 0.17 -2.63 0.88 0.95 0.00 0.00 0.00 175.76 175.12 2dmb s THR 102 N 3.90 4.32 0.26 0.00 -4.23 0.30 -2.63 115.64 117.56 2dmb s THR 102 Ca 0.23 1.66 0.14 0.00 -1.18 0.00 0.00 61.69 62.53 2dmb s THR 102 Cb -0.16 -3.96 0.05 0.00 1.34 0.00 0.00 72.50 69.76 2dmb s THR 102 CO 0.12 0.16 1.69 -2.24 -0.54 0.00 0.00 174.62 173.81 2dmb h ASP 103 N 3.25 0.00 0.00 3.99 2.03 -1.94 -1.82 116.42 121.94 2dmb h ASP 103 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2dmb h ASP 103 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2dmb h ASP 103 CO 0.65 0.50 0.00 0.61 -1.03 0.00 0.00 179.24 179.97 2dmb n GLY 104 N 0.12 2.94 3.60 7.15 0.00 -1.26 -4.58 105.19 113.16 2dmb n GLY 104 Ca -0.01 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 3.84 -0.06 1.61 0.41 -1.26 -5.09 118.70 118.15 2dmb s GLU 105 Ca 0.00 -0.39 -0.02 0.00 -0.41 0.00 0.00 54.97 54.14 2dmb s GLU 105 Cb 0.00 -3.11 0.04 0.00 -1.78 0.00 0.00 34.13 29.28 2dmb s GLU 105 CO 0.00 0.29 0.13 0.14 -0.49 0.00 0.00 175.26 175.33 2dmb s VAL 106 N 0.28 -0.07 -0.49 2.63 -7.23 -1.26 -5.12 120.40 109.13 2dmb s VAL 106 Ca 0.02 0.21 -0.17 0.00 -1.81 0.00 0.00 61.98 60.23 2dmb s VAL 106 Cb -0.13 -0.22 0.08 0.00 0.56 0.00 0.00 36.38 36.67 2dmb s VAL 106 CO 0.01 0.09 0.48 0.42 -0.31 0.00 0.00 175.10 175.78 2dmb s THR 107 N 1.29 5.12 -0.24 5.32 -4.23 -1.26 -5.02 115.64 116.63 2dmb s THR 107 Ca -0.08 -0.96 -0.41 0.00 -1.18 0.00 0.00 61.69 59.06 2dmb s THR 107 Cb -0.12 -4.21 -0.19 0.00 1.34 0.00 0.00 72.50 69.32 2dmb s THR 107 CO -0.05 -0.69 1.27 0.00 -0.54 0.00 0.00 174.62 174.60 2dmb n ALA 108 N 5.51 -2.40 -1.68 3.99 0.00 -1.26 -4.89 120.51 119.78 2dmb n ALA 108 Ca -0.11 0.52 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 2dmb n ALA 108 Cb 0.44 -1.75 0.03 0.00 0.00 0.00 0.00 19.45 18.16 2dmb n ALA 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dmb s VAL 109 N 1.42 4.18 0.43 0.00 -7.23 -1.26 -5.08 120.40 112.86 2dmb s VAL 109 Ca 0.93 0.80 0.07 0.00 -1.81 0.00 0.00 61.98 61.98 2dmb s VAL 109 Cb -1.32 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 32.07 2dmb s VAL 109 CO 0.66 -0.83 0.28 -1.83 -0.31 0.00 0.00 175.10 173.07 2dmb s GLU 110 N -4.78 2.35 -0.07 4.82 4.04 -1.26 -5.15 118.70 118.65 2dmb s GLU 110 Ca 0.59 -1.74 -0.12 0.00 0.04 0.00 0.00 54.97 53.74 2dmb s GLU 110 Cb -0.13 -2.15 0.02 0.00 0.02 0.00 0.00 34.13 31.89 2dmb s GLU 110 CO 0.49 -0.20 0.29 -1.83 -1.84 0.00 0.00 175.26 172.17 2dmb s GLU 111 N -4.03 0.47 -0.16 -4.83 -1.05 -1.26 -5.17 118.70 102.67 2dmb s GLU 111 Ca 0.43 0.13 -0.15 0.00 -0.15 0.00 0.00 54.97 55.23 2dmb s GLU 111 Cb 0.01 0.22 0.04 0.00 -0.44 0.00 0.00 34.13 33.95 2dmb s GLU 111 CO 0.24 -0.10 0.44 0.00 0.95 0.00 0.00 175.26 176.80 2dmb s ALA 112 N -0.49 -1.09 -0.21 -0.84 0.00 -1.26 -5.13 121.76 112.74 2dmb s ALA 112 Ca -0.06 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 2dmb s ALA 112 Cb -0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2dmb s ALA 112 CO 0.02 -0.21 1.61 -1.25 0.00 0.00 0.00 175.76 175.92 2dmb s PRO 113 N 0.21 3.83 -0.29 0.00 0.04 -1.26 -4.99 135.00 132.54 2dmb s PRO 113 Ca -0.00 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 2dmb s PRO 113 Cb -0.03 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 2dmb s PRO 113 CO 0.01 -1.25 0.27 0.54 0.04 0.00 0.00 177.00 176.61 2dmb s VAL 114 N 5.08 5.25 0.07 -0.36 0.11 -1.26 -5.06 120.40 124.23 2dmb s VAL 114 Ca 0.71 0.21 -0.10 0.00 -2.93 0.00 0.00 61.98 59.86 2dmb s VAL 114 Cb -0.25 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 30.97 2dmb s VAL 114 CO 0.29 0.14 0.23 0.54 -3.33 0.00 0.00 175.10 172.97 2dmb s ASN 115 N 1.72 0.02 0.45 3.54 2.20 -1.26 -5.18 114.94 116.43 2dmb s ASN 115 Ca 0.10 -0.46 0.03 0.00 -0.94 0.00 0.00 52.86 51.59 2dmb s ASN 115 Cb -0.16 0.34 -0.02 0.00 -2.00 0.00 0.00 41.25 39.41 2dmb s ASN 115 CO 0.11 -0.67 0.09 0.00 -2.94 0.00 0.00 177.10 173.68 2dmb s ALA 116 N -3.25 3.42 0.08 3.54 0.00 -1.26 -5.15 121.76 119.14 2dmb s ALA 116 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 2dmb s ALA 116 Cb 0.02 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 2dmb s ALA 116 CO -0.08 -0.22 0.39 0.00 0.00 0.00 0.00 175.76 175.86 2dmb n PRO 118 N 0.85 -1.98 -4.39 0.00 -0.04 -1.26 -5.07 135.00 123.11 2dmb n PRO 118 Ca -0.08 -0.79 -0.30 0.00 -0.04 0.00 0.00 63.50 62.30 2dmb n PRO 118 Cb 0.52 -0.74 -0.11 0.00 -0.04 0.00 0.00 33.50 33.13 2dmb n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmb s SER 119 N -2.83 4.04 1.00 3.54 0.15 -1.26 -5.11 113.70 113.23 2dmb s SER 119 Ca 0.32 -0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.38 2dmb s SER 119 Cb -0.03 -0.67 0.09 0.00 -1.71 0.00 0.00 66.02 63.70 2dmb s SER 119 CO 0.24 0.21 0.48 0.61 1.20 0.00 0.00 173.24 175.98 2dmb n GLY 120 N 1.04 -1.87 3.58 9.45 0.00 -1.26 -4.99 105.19 111.13 2dmb n GLY 120 Ca -0.15 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.81 -1.53 0.76 1.61 0.04 -1.26 -5.05 135.00 125.75 2dmb s PRO 121 Ca 0.59 -0.19 -0.08 0.00 0.04 0.00 0.00 61.00 61.36 2dmb s PRO 121 Cb -0.20 -1.57 0.09 0.00 0.04 0.00 0.00 34.50 32.86 2dmb s PRO 121 CO 0.66 -3.90 1.08 0.45 0.04 0.00 0.00 177.00 175.33 2dmb s SER 122 N -3.99 4.52 0.51 6.66 0.15 -1.26 -5.11 113.70 115.17 2dmb s SER 122 Ca 0.72 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.84 2dmb s SER 122 Cb -0.08 -0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 63.25 2dmb s SER 122 CO 0.56 -1.81 0.09 -0.94 1.20 0.00 0.00 173.24 172.33 2dmb s SER 123 N -4.59 4.23 0.00 5.45 1.04 -1.26 -5.33 113.70 113.24 2dmb s SER 123 Ca 0.63 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2dmb s SER 123 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dmb s SER 123 CO 0.47 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.43