#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8i s SER 2 N 0.00 -0.01 0.20 1.61 0.01 -1.26 -5.18 113.70 109.07 2d8i s SER 2 Ca 0.00 -0.38 -0.18 0.00 1.31 0.00 0.00 55.95 56.70 2d8i s SER 2 Cb 0.00 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.59 2d8i s SER 2 CO 0.00 -0.64 0.53 -0.55 0.41 0.00 0.00 173.24 172.99 2d8i s SER 3 N -2.32 -0.26 0.00 2.44 0.15 -1.26 -5.19 113.70 107.26 2d8i s SER 3 Ca -0.02 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2d8i s SER 3 Cb 0.01 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2d8i s SER 3 CO -0.06 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 173.93 2d8i n GLY 4 N -0.35 5.53 3.62 9.45 0.00 -1.26 -5.18 105.19 117.00 2d8i n GLY 4 Ca -0.10 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 2d8i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8i s SER 5 N -0.07 -0.18 -0.17 1.61 1.04 -1.26 -5.08 113.70 109.58 2d8i s SER 5 Ca 0.00 -0.70 -0.16 0.00 0.48 0.00 0.00 55.95 55.58 2d8i s SER 5 Cb 0.00 0.61 -0.22 0.00 0.10 0.00 0.00 66.02 66.51 2d8i s SER 5 CO 0.00 -1.15 0.27 -1.54 0.98 0.00 0.00 173.24 171.80 2d8i n SER 6 N -0.38 1.97 0.00 7.02 3.41 -1.26 -5.10 113.62 119.28 2d8i n SER 6 Ca -0.05 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2d8i n SER 6 Cb 0.61 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2d8i n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8i n GLY 7 N 1.65 -1.16 3.42 5.00 0.00 -1.26 -4.94 105.19 107.90 2d8i n GLY 7 Ca -0.32 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.61 2d8i n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2d8i s GLU 8 N 0.00 0.53 -1.49 1.61 -1.05 -1.26 -4.92 118.70 112.11 2d8i s GLU 8 Ca 0.00 0.95 -0.19 0.00 -0.15 0.00 0.00 54.97 55.59 2d8i s GLU 8 Cb 0.00 0.06 0.19 0.00 -0.44 0.00 0.00 34.13 33.94 2d8i s GLU 8 CO 0.00 -0.15 0.47 -0.89 0.95 0.00 0.00 175.26 175.64 2d8i n ILE 9 N 4.18 -0.02 -2.91 1.83 -0.00 -1.25 -4.87 119.36 116.32 2d8i n ILE 9 Ca -0.21 -0.01 -0.27 0.00 -0.00 0.00 0.00 62.75 62.25 2d8i n ILE 9 Cb 0.57 -0.40 -0.01 0.00 -0.00 0.00 0.00 39.64 39.79 2d8i n ILE 9 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2d8i s GLU 10 N -5.97 3.58 0.32 0.38 2.56 -1.26 -4.96 118.70 113.35 2d8i s GLU 10 Ca 0.65 0.11 0.07 0.00 0.00 0.00 0.00 54.97 55.81 2d8i s GLU 10 Cb -0.38 -2.47 0.90 0.00 2.00 0.00 0.00 34.13 34.18 2d8i s GLU 10 CO 0.82 -0.05 1.54 -0.89 -0.56 0.00 0.00 175.26 176.12 2d8i n ILE 11 N -1.82 -0.41 -1.29 -3.70 5.41 -1.26 -4.57 119.36 111.71 2d8i n ILE 11 Ca -0.00 2.12 -0.40 0.00 1.00 0.00 0.00 62.75 65.46 2d8i n ILE 11 Cb 0.55 -3.18 0.01 0.00 -0.71 0.00 0.00 39.64 36.31 2d8i n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2d8i n PRO 13 N 1.27 -1.02 -0.39 0.00 -0.04 -1.26 -5.01 135.00 128.54 2d8i n PRO 13 Ca 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 2d8i n PRO 13 Cb 0.44 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.04 2d8i n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2d8i n LYS 14 N -1.51 -1.56 -4.18 0.54 4.01 -1.26 -4.84 118.16 109.35 2d8i n LYS 14 Ca 0.00 -0.69 -0.12 0.00 -0.51 0.00 0.00 58.31 56.99 2d8i n LYS 14 Cb 0.00 -1.29 -0.10 0.00 -0.51 0.00 0.00 35.03 33.13 2d8i n LYS 14 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2d8i s VAL 15 N -1.84 0.84 0.07 -0.18 -7.23 0.64 -4.93 120.40 107.77 2d8i s VAL 15 Ca 0.32 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.45 2d8i s VAL 15 Cb -0.06 -1.56 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 2d8i s VAL 15 CO 0.27 -0.74 0.64 0.42 -0.31 0.00 0.00 175.10 175.38 2d8i s THR 16 N -3.11 4.70 -0.09 5.32 -4.23 -1.26 -0.72 115.64 116.25 2d8i s THR 16 Ca 0.10 1.36 0.02 0.00 -1.18 0.00 0.00 61.69 61.99 2d8i s THR 16 Cb 0.02 -3.98 0.01 0.00 1.34 0.00 0.00 72.50 69.89 2d8i s THR 16 CO -0.02 0.50 -0.16 -1.58 -0.54 0.00 0.00 174.62 172.82 2d8i s GLN 17 N -0.80 2.19 -0.58 3.99 0.74 0.01 -4.94 119.66 120.27 2d8i s GLN 17 Ca 0.32 -0.57 -0.19 0.00 0.05 0.00 0.00 55.36 54.97 2d8i s GLN 17 Cb -0.20 -1.80 0.11 0.00 1.10 0.00 0.00 33.01 32.22 2d8i s GLN 17 CO 0.20 0.01 0.68 -1.54 -0.55 0.00 0.00 175.29 174.09 2d8i s SER 18 N 0.76 6.18 -0.35 6.67 1.04 -1.26 -1.97 113.70 124.77 2d8i s SER 18 Ca -0.12 -1.47 -0.17 0.00 0.48 0.00 0.00 55.95 54.67 2d8i s SER 18 Cb -0.16 -2.29 -0.00 0.00 0.10 0.00 0.00 66.02 63.67 2d8i s SER 18 CO 0.02 -1.08 0.47 -0.63 0.98 0.00 0.00 173.24 173.01 2d8i s ILE 19 N 2.55 5.06 -0.29 -1.02 1.01 0.59 -4.92 121.20 124.17 2d8i s ILE 19 Ca 0.10 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 2d8i s ILE 19 Cb -0.25 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2d8i s ILE 19 CO 0.06 -0.20 0.14 -1.38 0.00 0.00 0.00 174.94 173.56 2d8i s HIS 20 N 2.29 3.17 -0.23 3.97 -3.43 -1.26 -0.41 115.29 119.38 2d8i s HIS 20 Ca 0.17 -0.39 -0.10 0.00 -0.80 0.00 0.00 55.06 53.93 2d8i s HIS 20 Cb -0.16 -2.34 -0.05 0.00 -1.43 0.00 0.00 32.58 28.61 2d8i s HIS 20 CO 0.13 -0.37 0.15 0.42 -2.00 0.00 0.00 174.74 173.06 2d8i s ILE 21 N 1.65 5.28 -0.09 -5.38 1.01 0.74 -4.93 121.20 119.47 2d8i s ILE 21 Ca 0.06 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2d8i s ILE 21 Cb -0.16 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 2d8i s ILE 21 CO 0.07 0.36 -0.15 -1.61 0.00 0.00 0.00 174.94 173.60 2d8i s GLU 22 N 0.99 2.98 0.47 2.79 2.02 -1.26 -0.88 118.70 125.81 2d8i s GLU 22 Ca 0.07 -0.72 0.07 0.00 0.02 0.00 0.00 54.97 54.41 2d8i s GLU 22 Cb -0.13 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.63 2d8i s GLU 22 CO 0.04 0.37 0.45 0.15 0.02 0.00 0.00 175.26 176.29 2d8i s LYS 23 N -0.07 2.45 -0.20 1.61 1.02 0.22 -4.99 119.74 119.78 2d8i s LYS 23 Ca -0.03 -1.65 -0.16 0.00 0.02 0.00 0.00 55.97 54.15 2d8i s LYS 23 Cb -0.14 -2.37 -0.09 0.00 -0.52 0.00 0.00 37.83 34.71 2d8i s LYS 23 CO 0.04 -0.40 -0.21 0.45 -0.92 0.00 0.00 175.35 174.31 2d8i n SER 24 N -1.72 1.90 -3.91 2.83 2.88 -1.26 -4.85 113.62 109.49 2d8i n SER 24 Ca 0.04 0.42 -0.30 0.00 -1.33 0.00 0.00 58.87 57.70 2d8i n SER 24 Cb 0.62 -0.83 -0.14 0.00 -0.75 0.00 0.00 64.21 63.11 2d8i n SER 24 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2d8i s ASP 25 N -6.48 4.37 0.52 -3.46 -1.08 -1.26 -4.97 116.67 104.31 2d8i s ASP 25 Ca -0.29 -2.41 0.44 0.00 -0.52 0.00 0.00 52.55 49.78 2d8i s ASP 25 Cb 0.07 -1.44 1.65 0.00 -1.46 0.00 0.00 42.92 41.74 2d8i s ASP 25 CO 0.43 -0.32 1.59 0.00 0.52 0.00 0.00 175.17 177.39 2d8i h THR 26 N 6.07 0.04 0.00 1.71 1.03 -1.89 0.69 112.91 120.56 2d8i h THR 26 Ca -0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2d8i h THR 26 Cb 0.97 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.08 2d8i h THR 26 CO 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.07 2d8i n ALA 27 N -2.79 0.00 -0.00 0.00 0.00 -1.26 -4.64 120.51 111.81 2d8i n ALA 27 Ca 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.79 2d8i n ALA 27 Cb 1.82 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 21.27 2d8i n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8i h ALA 28 N -2.00 -0.36 -2.71 0.00 0.00 -1.85 -3.40 119.26 108.93 2d8i h ALA 28 Ca 0.00 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2d8i h ALA 28 Cb 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2d8i h ALA 28 CO 0.00 -0.37 0.06 -0.51 0.00 0.00 0.00 179.25 178.43 2d8i s ASP 29 N -2.69 7.15 -0.10 0.00 1.11 0.19 -5.03 116.67 117.29 2d8i s ASP 29 Ca -0.00 1.36 -0.09 0.00 0.18 0.00 0.00 52.55 54.00 2d8i s ASP 29 Cb 0.00 -2.42 0.03 0.00 1.07 0.00 0.00 42.92 41.61 2d8i s ASP 29 CO 0.01 0.16 0.26 0.42 1.18 0.00 0.00 175.17 177.21 2d8i s THR 30 N -0.66 -0.01 1.04 -1.27 -4.23 -1.26 -4.05 115.64 105.20 2d8i s THR 30 Ca 0.33 0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 60.64 2d8i s THR 30 Cb -0.20 -0.38 -0.08 0.00 1.34 0.00 0.00 72.50 73.18 2d8i s THR 30 CO 0.21 0.01 -0.83 -1.22 -0.54 0.00 0.00 174.62 172.25 2d8i n TYR 31 N 3.14 -1.85 -2.33 3.99 4.01 -1.26 -4.96 117.16 117.90 2d8i n TYR 31 Ca -0.15 0.38 0.03 0.00 -0.16 0.00 0.00 57.90 58.00 2d8i n TYR 31 Cb 0.57 -1.47 0.01 0.00 -0.31 0.00 0.00 39.34 38.14 2d8i n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d8i n GLY 32 N 2.89 0.83 3.46 2.72 0.00 -1.26 -5.02 105.19 108.81 2d8i n GLY 32 Ca -0.01 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2d8i n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d8i s PHE 33 N 0.00 2.94 0.25 1.61 -0.71 -1.26 -2.60 117.98 118.21 2d8i s PHE 33 Ca 0.22 -0.38 0.04 0.00 -1.04 0.00 0.00 56.93 55.77 2d8i s PHE 33 Cb 0.26 -1.89 -0.03 0.00 -1.21 0.00 0.00 43.02 40.14 2d8i s PHE 33 CO -0.11 -0.06 0.39 -1.12 -1.34 0.00 0.00 175.22 172.98 2d8i s SER 34 N 0.23 6.32 -0.07 1.98 0.01 -0.41 -4.93 113.70 116.83 2d8i s SER 34 Ca -0.05 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.40 2d8i s SER 34 Cb -0.14 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.19 2d8i s SER 34 CO 0.04 -0.10 -0.15 -0.76 0.41 0.00 0.00 173.24 172.67 2d8i s LEU 35 N -3.97 1.77 -0.15 2.44 1.43 -1.26 -1.54 118.68 117.40 2d8i s LEU 35 Ca 0.35 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2d8i s LEU 35 Cb -0.09 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 2d8i s LEU 35 CO 0.30 0.07 0.04 -0.94 0.23 0.00 0.00 176.35 176.06 2d8i s SER 36 N 0.53 5.51 -0.13 2.29 1.04 0.57 -4.86 113.70 118.65 2d8i s SER 36 Ca -0.15 0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.33 2d8i s SER 36 Cb -0.16 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.08 2d8i s SER 36 CO 0.05 0.25 0.11 -0.94 0.98 0.00 0.00 173.24 173.69 2d8i s SER 37 N -0.07 6.13 -0.03 7.02 1.04 -1.26 -0.63 113.70 125.90 2d8i s SER 37 Ca 0.06 0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 2d8i s SER 37 Cb -0.12 -1.97 0.03 0.00 0.10 0.00 0.00 66.02 64.06 2d8i s SER 37 CO 0.01 0.36 0.04 -0.69 0.98 0.00 0.00 173.24 173.94 2d8i s VAL 38 N -0.73 -0.07 -0.36 5.02 1.01 0.58 -4.97 120.40 120.88 2d8i s VAL 38 Ca 0.13 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 2d8i s VAL 38 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2d8i s VAL 38 CO 0.03 0.10 0.35 -0.70 0.00 0.00 0.00 175.10 174.88 2d8i s GLU 39 N 1.26 3.44 -0.53 2.72 2.12 -1.26 -0.02 118.70 126.42 2d8i s GLU 39 Ca -0.07 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 54.62 2d8i s GLU 39 Cb -0.13 -3.84 0.14 0.00 0.26 0.00 0.00 34.13 30.56 2d8i s GLU 39 CO -0.03 -0.57 0.41 -1.21 -0.54 0.00 0.00 175.26 173.32 2d8i s GLU 40 N 1.96 2.65 -1.47 4.30 0.41 0.11 -4.56 118.70 122.09 2d8i s GLU 40 Ca 0.10 -1.91 -0.07 0.00 -0.41 0.00 0.00 54.97 52.68 2d8i s GLU 40 Cb -0.17 -3.99 0.01 0.00 -1.78 0.00 0.00 34.13 28.20 2d8i s GLU 40 CO 0.12 -1.22 0.87 -0.25 -0.49 0.00 0.00 175.26 174.29 2d8i n ASP 41 N 4.69 -6.27 0.00 -0.19 9.92 -1.26 -1.69 116.55 121.75 2d8i n ASP 41 Ca -0.05 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 53.82 2d8i n ASP 41 Cb 0.41 -5.00 0.00 0.00 -0.64 0.00 0.00 41.12 35.89 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2d8i n GLY 42 N -1.75 2.99 3.57 0.44 0.00 -1.26 -5.00 105.19 104.17 2d8i n GLY 42 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2d8i n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d8i s ILE 43 N -2.63 3.87 0.49 -0.61 1.01 -0.68 -5.00 121.20 117.65 2d8i s ILE 43 Ca 0.00 0.68 -0.22 0.00 0.00 0.00 0.00 60.65 61.11 2d8i s ILE 43 Cb 0.00 -4.79 -0.07 0.00 0.01 0.00 0.00 42.46 37.61 2d8i s ILE 43 CO 0.00 -1.55 1.15 -0.60 0.00 0.00 0.00 174.94 173.94 2d8i s ARG 44 N 5.34 3.62 0.08 2.79 3.52 -1.26 -0.71 118.95 132.33 2d8i s ARG 44 Ca 0.40 1.72 -0.09 0.00 -0.13 0.00 0.00 55.73 57.63 2d8i s ARG 44 Cb -0.08 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 31.04 2d8i s ARG 44 CO 0.21 -0.65 0.20 1.03 -0.81 0.00 0.00 175.30 175.28 2d8i s ARG 45 N -2.90 0.81 0.12 5.12 1.81 0.97 -4.69 118.95 120.20 2d8i s ARG 45 Ca 0.67 -0.85 0.10 0.00 -1.72 0.00 0.00 55.73 53.92 2d8i s ARG 45 Cb -0.27 0.33 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 2d8i s ARG 45 CO 0.32 -0.26 -0.24 -0.51 -0.68 0.00 0.00 175.30 173.93 2d8i s LEU 46 N -2.64 2.32 -0.16 2.53 2.01 -1.26 -0.31 118.68 121.17 2d8i s LEU 46 Ca 0.02 -0.73 -0.09 0.00 0.01 0.00 0.00 54.13 53.34 2d8i s LEU 46 Cb 0.03 -1.06 0.05 0.00 0.01 0.00 0.00 46.19 45.22 2d8i s LEU 46 CO -0.09 0.12 0.38 -0.31 1.01 0.00 0.00 176.35 177.46 2d8i s TYR 47 N -1.14 -0.53 -0.25 0.29 2.02 0.20 -2.21 117.35 115.72 2d8i s TYR 47 Ca 0.11 1.17 -0.28 0.00 -0.37 0.00 0.00 57.07 57.70 2d8i s TYR 47 Cb -0.10 0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.63 2d8i s TYR 47 CO 0.05 -0.30 2.14 0.08 -1.57 0.00 0.00 175.55 175.96 2d8i s VAL 48 N 1.16 3.10 -0.07 0.71 1.01 -0.03 -0.31 120.40 125.97 2d8i s VAL 48 Ca -0.08 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 2d8i s VAL 48 Cb -0.08 -3.14 -0.26 0.00 0.00 0.00 0.00 36.38 32.90 2d8i s VAL 48 CO -0.10 -0.09 0.93 -1.13 0.00 0.00 0.00 175.10 174.71 2d8i h ASN 49 N 14.85 0.26 -5.11 3.32 -1.24 -1.51 -3.17 115.58 122.99 2d8i h ASN 49 Ca -0.39 -0.88 -0.15 0.00 0.71 0.00 0.00 56.30 55.59 2d8i h ASN 49 Cb 1.23 -0.08 -0.17 0.00 0.73 0.00 0.00 38.32 40.02 2d8i h ASN 49 CO 0.98 1.12 -0.69 -0.55 -1.29 0.00 0.00 177.43 177.00 2d8i s SER 50 N -6.51 0.44 -0.01 1.15 0.15 -1.21 -4.76 113.70 102.95 2d8i s SER 50 Ca -0.16 -0.80 0.03 0.00 0.70 0.00 0.00 55.95 55.72 2d8i s SER 50 Cb 0.00 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2d8i s SER 50 CO 0.76 -0.47 -0.10 -0.69 1.20 0.00 0.00 173.24 173.93 2d8i s VAL 51 N -2.94 0.83 0.21 4.45 1.01 -1.26 -1.28 120.40 121.41 2d8i s VAL 51 Ca -0.02 -0.45 -0.32 0.00 0.00 0.00 0.00 61.98 61.19 2d8i s VAL 51 Cb 0.01 -0.69 -0.12 0.00 0.00 0.00 0.00 36.38 35.58 2d8i s VAL 51 CO -0.06 0.23 1.71 -0.75 0.00 0.00 0.00 175.10 176.23 2d8i s LYS 52 N -0.25 4.13 0.11 2.72 2.20 -1.07 -4.82 119.74 122.75 2d8i s LYS 52 Ca 0.04 2.60 -0.31 0.00 -0.36 0.00 0.00 55.97 57.94 2d8i s LYS 52 Cb -0.04 -3.08 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 2d8i s LYS 52 CO -0.00 -0.74 1.24 -1.21 -0.36 0.00 0.00 175.35 174.27 2d8i s GLU 53 N 1.15 4.43 -0.99 4.03 8.01 -1.26 -3.08 118.70 130.99 2d8i s GLU 53 Ca 0.74 1.86 -0.04 0.00 0.01 0.00 0.00 54.97 57.55 2d8i s GLU 53 Cb -0.49 -3.30 0.03 0.00 -4.31 0.00 0.00 34.13 26.06 2d8i s GLU 53 CO 0.32 -0.24 0.18 0.25 0.01 0.00 0.00 175.26 175.78 2d8i n THR 54 N 3.52 -0.64 -0.20 3.63 -2.24 -1.26 -4.92 114.28 112.16 2d8i n THR 54 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2d8i n THR 54 Cb 0.45 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 2d8i n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d8i n GLY 55 N -0.89 1.56 0.12 3.38 0.00 -1.18 -4.96 105.19 103.22 2d8i n GLY 55 Ca -0.07 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 2d8i n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d8i n LEU 56 N 0.00 1.91 0.08 0.99 4.77 -1.26 -3.82 117.00 119.66 2d8i n LEU 56 Ca 0.00 0.40 0.04 0.00 -0.03 0.00 0.00 56.01 56.41 2d8i n LEU 56 Cb 0.00 -0.87 0.43 0.00 -2.33 0.00 0.00 43.42 40.65 2d8i n LEU 56 CO 0.00 0.28 1.04 0.00 -1.33 0.00 0.00 177.39 177.38 2d8i h ALA 57 N -0.81 1.65 -0.46 -1.18 0.00 -1.97 0.50 119.26 116.99 2d8i h ALA 57 Ca -0.44 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 2d8i h ALA 57 Cb 1.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2d8i h ALA 57 CO -0.27 0.27 -0.23 0.66 0.00 0.00 0.00 179.25 179.69 2d8i h SER 58 N 0.36 0.97 0.90 0.00 4.64 -1.77 -1.08 113.55 117.58 2d8i h SER 58 Ca 0.09 -0.37 -0.22 0.00 -0.47 0.00 0.00 61.79 60.82 2d8i h SER 58 Cb 0.13 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 2d8i h SER 58 CO -0.01 1.15 -1.16 0.07 -0.87 0.00 0.00 176.83 176.02 2d8i h LYS 59 N 0.81 0.00 0.83 4.77 2.10 -1.52 -3.37 116.57 120.20 2d8i h LYS 59 Ca 0.10 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.71 2d8i h LYS 59 Cb 0.80 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.13 2d8i h LYS 59 CO 0.07 0.76 -0.40 0.87 -2.00 0.00 0.00 179.45 178.75 2d8i h LYS 60 N 0.00 -1.08 0.00 0.07 1.79 0.06 -3.47 116.57 113.94 2d8i h LYS 60 Ca -0.09 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2d8i h LYS 60 Cb 1.78 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 2d8i h LYS 60 CO 0.10 -0.71 0.00 0.41 -1.08 0.00 0.00 179.45 178.17 2d8i n GLY 61 N -1.16 0.00 3.76 3.86 0.00 -0.92 -4.69 105.19 106.03 2d8i n GLY 61 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2d8i n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d8i s LEU 62 N 0.00 2.54 0.12 0.99 1.43 -0.46 -4.96 118.68 118.34 2d8i s LEU 62 Ca 0.00 -1.48 -0.25 0.00 -1.03 0.00 0.00 54.13 51.37 2d8i s LEU 62 Cb 0.00 -0.91 0.08 0.00 0.03 0.00 0.00 46.19 45.39 2d8i s LEU 62 CO 0.00 -0.80 0.70 -0.75 0.23 0.00 0.00 176.35 175.73 2d8i s LYS 63 N -3.92 1.18 -0.05 1.70 2.47 -1.26 -4.78 119.74 115.08 2d8i s LYS 63 Ca 0.19 -0.46 0.01 0.00 -1.56 0.00 0.00 55.97 54.15 2d8i s LYS 63 Cb 0.03 0.53 0.10 0.00 -1.46 0.00 0.00 37.83 37.03 2d8i s LYS 63 CO 0.10 -0.52 0.88 0.00 0.16 0.00 0.00 175.35 175.98 2d8i n ALA 64 N -0.35 2.80 -2.54 3.13 0.00 -1.26 -3.55 120.51 118.74 2d8i n ALA 64 Ca -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 52.97 2d8i n ALA 64 Cb 0.64 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 19.09 2d8i n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8i n GLY 65 N 0.17 1.38 3.29 0.00 0.00 -1.20 -4.49 105.19 104.35 2d8i n GLY 65 Ca 0.06 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 2d8i n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d8i s ASP 66 N -2.12 2.80 -0.02 1.61 -1.08 -1.23 -4.96 116.67 111.67 2d8i s ASP 66 Ca 0.19 -0.55 -0.15 0.00 -0.52 0.00 0.00 52.55 51.52 2d8i s ASP 66 Cb 0.30 -0.25 -0.05 0.00 -1.46 0.00 0.00 42.92 41.46 2d8i s ASP 66 CO -0.09 0.21 0.41 -1.83 0.52 0.00 0.00 175.17 174.39 2d8i s GLU 67 N -1.19 3.96 -0.27 4.34 -1.05 -1.26 -0.85 118.70 122.38 2d8i s GLU 67 Ca 0.10 0.40 -0.18 0.00 -0.15 0.00 0.00 54.97 55.13 2d8i s GLU 67 Cb -0.09 -3.25 -0.02 0.00 -0.44 0.00 0.00 34.13 30.33 2d8i s GLU 67 CO 0.02 0.63 0.53 0.42 0.95 0.00 0.00 175.26 177.81 2d8i s ILE 68 N -0.87 5.05 -0.14 1.83 -1.09 -0.94 -4.49 121.20 120.55 2d8i s ILE 68 Ca 0.23 0.89 -0.25 0.00 -2.23 0.00 0.00 60.65 59.29 2d8i s ILE 68 Cb -0.16 -3.85 -0.22 0.00 -1.58 0.00 0.00 42.46 36.64 2d8i s ILE 68 CO 0.13 0.06 0.61 -0.07 -1.23 0.00 0.00 174.94 174.43 2d8i h LEU 69 N 8.83 0.00 -8.19 2.97 3.38 -1.45 -3.40 115.31 117.45 2d8i h LEU 69 Ca -0.29 -0.82 -0.11 0.00 0.09 0.00 0.00 57.88 56.76 2d8i h LEU 69 Cb 1.14 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 2d8i h LEU 69 CO 0.73 1.00 -0.29 -1.61 0.09 0.00 0.00 178.44 178.35 2d8i s GLU 70 N -2.16 1.28 -0.23 1.13 2.02 -1.21 -3.75 118.70 115.78 2d8i s GLU 70 Ca -0.18 -1.25 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 2d8i s GLU 70 Cb -0.02 0.39 0.09 0.00 0.10 0.00 0.00 34.13 34.69 2d8i s GLU 70 CO 0.60 -0.48 0.14 0.42 0.02 0.00 0.00 175.26 175.95 2d8i s ILE 71 N -4.01 -0.14 -1.23 -1.63 1.01 -0.43 -1.29 121.20 113.49 2d8i s ILE 71 Ca 0.21 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 2d8i s ILE 71 Cb 0.03 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2d8i s ILE 71 CO 0.04 -0.46 1.03 0.59 0.00 0.00 0.00 174.94 176.14 2d8i n ASN 72 N 5.28 -2.87 -3.19 3.58 3.02 0.26 -2.70 115.26 118.63 2d8i n ASN 72 Ca -0.06 -0.60 -0.18 0.00 -0.03 0.00 0.00 54.58 53.71 2d8i n ASN 72 Cb 0.46 -5.10 0.08 0.00 -0.61 0.00 0.00 39.78 34.60 2d8i n ASN 72 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2d8i n ASN 73 N -3.10 -3.66 -3.81 6.41 4.13 -1.26 -5.02 115.26 108.95 2d8i n ASN 73 Ca -0.23 -0.52 -0.13 0.00 1.68 0.00 0.00 54.58 55.38 2d8i n ASN 73 Cb 0.65 -4.57 -0.13 0.00 -1.54 0.00 0.00 39.78 34.20 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2d8i s ARG 74 N -5.61 0.18 0.00 3.52 1.81 -1.10 -5.13 118.95 112.63 2d8i s ARG 74 Ca 0.22 0.25 -0.30 0.00 -1.72 0.00 0.00 55.73 54.18 2d8i s ARG 74 Cb -0.10 0.06 -0.06 0.00 -0.45 0.00 0.00 34.95 34.41 2d8i s ARG 74 CO 0.65 -0.04 1.44 0.00 -0.68 0.00 0.00 175.30 176.67 2d8i s ALA 75 N 0.22 3.60 0.10 2.13 0.00 -1.26 -1.31 121.76 125.25 2d8i s ALA 75 Ca -0.01 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 2d8i s ALA 75 Cb -0.02 -3.62 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 2d8i s ALA 75 CO -0.01 -0.97 1.43 0.00 0.00 0.00 0.00 175.76 176.21 2d8i h ALA 76 N 7.99 -0.66 -0.90 0.00 0.00 -1.88 0.51 119.26 124.32 2d8i h ALA 76 Ca -0.38 0.01 0.25 0.00 0.00 0.00 0.00 54.91 54.78 2d8i h ALA 76 Cb 1.18 1.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.89 2d8i h ALA 76 CO 0.91 -0.88 0.29 0.22 0.00 0.00 0.00 179.25 179.79 2d8i h ASP 77 N -0.28 0.09 -0.95 0.00 3.58 -1.90 0.51 116.42 117.47 2d8i h ASP 77 Ca 0.06 0.19 0.07 0.00 0.42 0.00 0.00 57.03 57.77 2d8i h ASP 77 Cb 0.45 0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.68 2d8i h ASP 77 CO -0.49 -0.14 0.62 0.00 -2.88 0.00 0.00 179.24 176.34 2d8i h ALA 78 N 1.79 1.47 -2.13 -0.78 0.00 -1.31 -3.40 119.26 114.89 2d8i h ALA 78 Ca 0.58 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.90 2d8i h ALA 78 Cb 1.19 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2d8i h ALA 78 CO -0.64 0.39 0.94 -0.51 0.00 0.00 0.00 179.25 179.43 2d8i s LEU 79 N -10.07 4.15 0.37 0.00 1.43 0.18 -5.02 118.68 109.71 2d8i s LEU 79 Ca -0.12 1.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.75 2d8i s LEU 79 Cb 0.20 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 2d8i s LEU 79 CO 0.81 -0.84 0.46 0.54 0.23 0.00 0.00 176.35 177.54 2d8i s ASN 80 N 2.35 5.66 0.31 2.29 2.20 -1.26 -4.82 114.94 121.66 2d8i s ASN 80 Ca 0.58 -0.37 0.10 0.00 -0.94 0.00 0.00 52.86 52.23 2d8i s ASN 80 Cb -0.23 -0.94 0.94 0.00 -2.00 0.00 0.00 41.25 39.02 2d8i s ASN 80 CO 0.18 -0.54 1.42 -1.54 -2.94 0.00 0.00 177.10 173.68 2d8i n SER 81 N -1.65 0.09 0.31 3.54 3.41 -1.26 -0.39 113.62 117.67 2d8i n SER 81 Ca 0.02 1.52 -0.15 0.00 -0.26 0.00 0.00 58.87 60.00 2d8i n SER 81 Cb 0.59 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 2d8i n SER 81 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d8i h SER 82 N 0.00 -1.02 -0.45 4.04 0.87 -2.00 -0.92 113.55 114.07 2d8i h SER 82 Ca 0.65 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 61.35 2d8i h SER 82 Cb 1.55 0.31 -0.06 0.00 -0.44 0.00 0.00 62.40 63.77 2d8i h SER 82 CO -0.78 -0.58 0.11 0.24 -0.53 0.00 0.00 176.83 175.29 2d8i h MET 83 N -0.91 0.24 -0.14 2.24 2.86 -1.09 -2.63 114.93 115.51 2d8i h MET 83 Ca -0.07 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2d8i h MET 83 Cb 0.74 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.28 2d8i h MET 83 CO 0.04 0.16 -0.42 -0.07 1.06 0.00 0.00 176.91 177.69 2d8i h LEU 84 N 0.25 -1.31 -0.67 1.22 3.38 -0.73 0.51 115.31 117.97 2d8i h LEU 84 Ca 0.22 0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.49 2d8i h LEU 84 Cb 0.26 0.53 -0.13 0.00 0.09 0.00 0.00 40.66 41.42 2d8i h LEU 84 CO -0.27 -0.42 -0.23 0.11 0.09 0.00 0.00 178.44 177.72 2d8i h LYS 85 N -0.48 -0.05 -0.13 1.13 1.57 -0.81 0.13 116.57 117.92 2d8i h LYS 85 Ca 0.08 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2d8i h LYS 85 Cb 0.62 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2d8i h LYS 85 CO -0.40 -0.03 0.07 0.22 -0.57 0.00 0.00 179.45 178.73 2d8i h ASP 86 N -0.05 0.10 -0.14 0.86 3.58 -1.08 -0.79 116.42 118.89 2d8i h ASP 86 Ca 0.30 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.80 2d8i h ASP 86 Cb 0.53 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 2d8i h ASP 86 CO -0.71 0.08 -0.17 -0.26 -2.88 0.00 0.00 179.24 175.30 2d8i h PHE 87 N 0.14 -0.43 -0.96 0.28 -1.00 0.91 -1.51 116.94 114.37 2d8i h PHE 87 Ca 0.05 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.89 2d8i h PHE 87 Cb 0.01 0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.73 2d8i h PHE 87 CO -0.09 -0.24 0.63 -0.07 -1.61 0.00 0.00 178.31 176.93 2d8i h LEU 88 N -0.20 1.06 -1.07 1.54 3.38 -0.65 -2.00 115.31 117.37 2d8i h LEU 88 Ca 0.10 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2d8i h LEU 88 Cb 0.35 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2d8i h LEU 88 CO -0.27 0.74 0.63 -1.28 0.09 0.00 0.00 178.44 178.35 2d8i h SER 89 N 1.24 1.05 -3.65 -0.43 0.87 -0.23 -3.43 113.55 108.96 2d8i h SER 89 Ca 0.37 -0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 60.35 2d8i h SER 89 Cb -0.05 -0.25 0.14 0.00 -0.44 0.00 0.00 62.40 61.81 2d8i h SER 89 CO -0.10 0.73 0.43 0.00 -0.53 0.00 0.00 176.83 177.35 2d8i n GLN 90 N -4.43 1.61 0.26 2.24 6.02 -0.66 -4.85 117.38 117.58 2d8i n GLN 90 Ca 0.12 0.59 0.14 0.00 -0.01 0.00 0.00 57.00 57.84 2d8i n GLN 90 Cb 0.08 -2.37 0.62 0.00 1.02 0.00 0.00 30.24 29.59 2d8i n GLN 90 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2d8i h PRO 91 N 1.53 0.00 -6.16 -1.09 0.13 -1.85 -3.44 132.00 121.12 2d8i h PRO 91 Ca -0.49 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 2d8i h PRO 91 Cb 1.31 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.19 2d8i h PRO 91 CO 0.57 0.10 -0.85 -1.54 -0.23 0.00 0.00 178.00 176.06 2d8i s SER 92 N -5.93 2.56 0.01 1.44 1.04 -1.26 0.70 113.70 112.26 2d8i s SER 92 Ca 0.00 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 55.78 2d8i s SER 92 Cb 0.10 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.02 2d8i s SER 92 CO 0.58 0.17 0.25 -0.76 0.98 0.00 0.00 173.24 174.47 2d8i s LEU 93 N -1.18 1.10 -0.29 2.42 1.43 -0.06 -4.98 118.68 117.12 2d8i s LEU 93 Ca 0.08 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2d8i s LEU 93 Cb -0.09 1.11 0.09 0.00 0.03 0.00 0.00 46.19 47.33 2d8i s LEU 93 CO 0.02 -0.49 0.05 -0.83 0.23 0.00 0.00 176.35 175.33 2d8i s GLY 94 N -1.63 1.31 0.28 -3.19 0.00 -1.26 -0.18 107.32 102.65 2d8i s GLY 94 Ca -0.11 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 42.88 2d8i s GLY 94 CO 0.01 1.27 0.46 1.08 0.00 0.00 0.00 173.10 175.92 2d8i s LEU 95 N 1.40 4.16 -0.31 0.66 1.43 0.45 0.90 118.68 127.37 2d8i s LEU 95 Ca 0.06 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2d8i s LEU 95 Cb -0.18 -3.14 0.10 0.00 0.03 0.00 0.00 46.19 43.00 2d8i s LEU 95 CO -0.15 -0.17 0.11 -0.22 0.23 0.00 0.00 176.35 176.15 2d8i s LEU 96 N -3.99 1.90 0.28 1.79 2.96 -0.41 -0.30 118.68 120.91 2d8i s LEU 96 Ca 0.38 -1.59 0.09 0.00 -0.22 0.00 0.00 54.13 52.78 2d8i s LEU 96 Cb -0.10 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 2d8i s LEU 96 CO 0.32 -0.42 0.09 0.68 -1.32 0.00 0.00 176.35 175.70 2d8i s VAL 97 N 1.69 3.59 0.06 1.68 -7.23 -0.83 -1.09 120.40 118.26 2d8i s VAL 97 Ca 0.10 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.38 2d8i s VAL 97 Cb -0.17 -3.02 -0.06 0.00 0.56 0.00 0.00 36.38 33.69 2d8i s VAL 97 CO -0.27 -0.32 0.49 -0.60 -0.31 0.00 0.00 175.10 174.09 2d8i s ARG 98 N -3.76 4.02 0.12 4.82 3.52 -1.26 -0.81 118.95 125.60 2d8i s ARG 98 Ca 0.33 0.53 -0.05 0.00 -0.13 0.00 0.00 55.73 56.41 2d8i s ARG 98 Cb -0.06 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 2d8i s ARG 98 CO 0.22 0.63 0.14 -0.08 -0.81 0.00 0.00 175.30 175.40 2d8i s THR 99 N -1.18 0.12 -0.04 4.11 -1.32 0.10 -4.95 115.64 112.48 2d8i s THR 99 Ca 0.29 -1.58 -0.21 0.00 -1.21 0.00 0.00 61.69 58.97 2d8i s THR 99 Cb -0.17 -1.76 -0.05 0.00 -1.51 0.00 0.00 72.50 69.01 2d8i s THR 99 CO 0.17 -0.53 0.62 -0.31 -2.21 0.00 0.00 174.62 172.35 2d8i s TYR 100 N -3.97 3.63 -0.04 9.09 1.51 -1.26 -0.26 117.35 126.05 2d8i s TYR 100 Ca 0.15 1.18 -0.30 0.00 -1.01 0.00 0.00 57.07 57.09 2d8i s TYR 100 Cb 0.06 -2.67 -0.05 0.00 -0.11 0.00 0.00 41.96 39.19 2d8i s TYR 100 CO -0.03 0.24 1.48 -1.25 -1.11 0.00 0.00 175.55 174.88 2d8i s PRO 101 N 0.24 4.23 -0.11 -1.71 0.04 -1.26 -4.93 135.00 131.51 2d8i s PRO 101 Ca 0.33 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.07 2d8i s PRO 101 Cb -0.18 -3.75 0.10 0.00 0.04 0.00 0.00 34.50 30.72 2d8i s PRO 101 CO 0.17 -0.70 0.87 -2.00 0.04 0.00 0.00 177.00 175.37 2d8i s GLU 102 N 3.18 0.79 0.41 4.56 2.56 -1.26 -3.87 118.70 125.06 2d8i s GLU 102 Ca 0.66 0.18 -0.26 0.00 0.00 0.00 0.00 54.97 55.55 2d8i s GLU 102 Cb -0.31 0.37 -0.09 0.00 2.00 0.00 0.00 34.13 36.11 2d8i s GLU 102 CO 0.26 -0.25 1.27 -0.48 -0.56 0.00 0.00 175.26 175.50 2d8i s LEU 103 N -1.18 4.20 -1.53 2.70 0.05 -1.26 -3.22 118.68 118.44 2d8i s LEU 103 Ca -0.05 2.58 -0.01 0.00 0.05 0.00 0.00 54.13 56.70 2d8i s LEU 103 Cb -0.00 -3.94 0.00 0.00 -2.05 0.00 0.00 46.19 40.20 2d8i s LEU 103 CO 0.05 -0.83 0.05 1.21 -0.55 0.00 0.00 176.35 176.28 2d8i n GLU 104 N 0.09 -1.03 -3.58 1.48 2.13 -1.26 -4.89 120.64 113.58 2d8i n GLU 104 Ca 0.04 0.11 -0.40 0.00 0.66 0.00 0.00 57.16 57.56 2d8i n GLU 104 Cb 0.44 -3.58 -0.09 0.00 0.27 0.00 0.00 31.44 28.48 2d8i n GLU 104 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2d8i s GLU 105 N -7.35 2.56 0.12 5.31 2.56 -1.20 -5.07 118.70 115.64 2d8i s GLU 105 Ca 0.02 -1.57 0.04 0.00 0.00 0.00 0.00 54.97 53.46 2d8i s GLU 105 Cb -0.01 -3.84 -0.04 0.00 2.00 0.00 0.00 34.13 32.24 2d8i s GLU 105 CO 0.99 -1.04 -0.10 0.20 -0.56 0.00 0.00 175.26 174.75 2d8i s GLY 106 N 2.33 0.94 0.11 -1.50 0.00 -1.26 -4.97 107.32 102.97 2d8i s GLY 106 Ca 0.04 -1.32 -0.36 0.00 0.00 0.00 0.00 44.72 43.08 2d8i s GLY 106 CO 0.01 -1.41 1.44 1.55 0.00 0.00 0.00 173.10 174.69 2d8i n VAL 107 N 0.22 0.00 -4.68 1.40 3.14 -1.26 -4.97 118.33 112.18 2d8i n VAL 107 Ca -0.13 -0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 60.93 2d8i n VAL 107 Cb 0.59 -1.12 -0.17 0.00 -1.06 0.00 0.00 33.84 32.09 2d8i n VAL 107 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2d8i s GLU 108 N 0.69 2.90 -0.04 1.45 2.02 -1.26 -4.99 118.70 119.48 2d8i s GLU 108 Ca 0.82 -0.81 0.16 0.00 0.02 0.00 0.00 54.97 55.16 2d8i s GLU 108 Cb -0.84 -2.34 -0.21 0.00 0.10 0.00 0.00 34.13 30.84 2d8i s GLU 108 CO 0.43 -0.01 0.57 -1.13 0.02 0.00 0.00 175.26 175.15 2d8i n SER 109 N 4.05 0.60 -1.17 -0.19 3.41 -1.26 -5.08 113.62 113.98 2d8i n SER 109 Ca -0.20 0.27 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 2d8i n SER 109 Cb 0.52 0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.84 2d8i n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8i n GLY 110 N 1.52 -1.82 3.71 5.00 0.00 -1.26 -4.68 105.19 107.65 2d8i n GLY 110 Ca -0.17 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2d8i n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8i s PRO 111 N -3.12 4.31 -0.82 1.61 0.04 -1.26 -4.97 135.00 130.78 2d8i s PRO 111 Ca 0.00 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 2d8i s PRO 111 Cb 0.00 -3.36 0.17 0.00 0.04 0.00 0.00 34.50 31.35 2d8i s PRO 111 CO 0.00 -0.48 0.88 0.45 0.04 0.00 0.00 177.00 177.89 2d8i s SER 112 N 1.38 6.62 -0.95 6.66 0.15 -1.26 -4.99 113.70 121.31 2d8i s SER 112 Ca 0.64 -2.27 -0.24 0.00 0.70 0.00 0.00 55.95 54.79 2d8i s SER 112 Cb -0.35 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2d8i s SER 112 CO 0.29 -0.83 1.62 -0.55 1.20 0.00 0.00 173.24 174.97 2d8i s SER 113 N 2.92 6.00 0.00 5.45 0.15 -1.26 -5.33 113.70 121.63 2d8i s SER 113 Ca 0.22 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2d8i s SER 113 Cb -0.11 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2d8i s SER 113 CO -0.07 -1.96 0.47 0.61 1.20 0.00 0.00 173.24 173.49