#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 -0.73 -0.30 1.61 1.04 -1.26 -5.14 113.70 108.92 2d8i s SER 2 Ca 0.00 1.34 0.01 0.00 0.48 0.00 0.00 55.95 57.78 2d8i s SER 2 Cb 0.00 1.31 0.19 0.00 0.10 0.00 0.00 66.02 67.62 2d8i s SER 2 CO 0.00 -0.23 0.62 -0.94 0.98 0.00 0.00 173.24 173.67 2d8i s SER 3 N 0.72 -1.43 -0.40 7.02 1.04 -1.26 -5.08 113.70 114.30 2d8i s SER 3 Ca -0.03 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.04 2d8i s SER 3 Cb -0.05 2.07 0.24 0.00 0.10 0.00 0.00 66.02 68.38 2d8i s SER 3 CO -0.05 -0.27 0.51 0.61 0.98 0.00 0.00 173.24 175.02 2d8i n GLY 4 N 5.42 2.84 3.67 7.32 0.00 -1.26 -5.10 105.19 118.07 2d8i n GLY 4 Ca 0.01 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2d8i n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8i s SER 5 N -1.07 6.76 0.00 1.61 0.15 -1.26 -4.95 113.70 114.94 2d8i s SER 5 Ca 0.35 2.09 -0.30 0.00 0.70 0.00 0.00 55.95 58.79 2d8i s SER 5 Cb 0.15 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.86 2d8i s SER 5 CO -0.12 -0.85 1.59 -0.94 1.20 0.00 0.00 173.24 174.13 2d8i s SER 6 N 2.71 6.69 0.00 5.45 1.04 -1.26 -4.70 113.70 123.63 2d8i s SER 6 Ca 0.67 2.29 0.00 0.00 0.48 0.00 0.00 55.95 59.39 2d8i s SER 6 Cb -0.30 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.27 2d8i s SER 6 CO 0.25 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2d8i n GLY 7 N 3.96 2.19 3.47 7.32 0.00 -1.26 -5.17 105.19 115.71 2d8i n GLY 7 Ca 0.16 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.32 2d8i n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d8i s GLU 8 N -2.20 0.24 -0.33 1.61 2.12 -1.26 -5.14 118.70 113.75 2d8i s GLU 8 Ca 0.00 0.52 -0.19 0.00 0.36 0.00 0.00 54.97 55.66 2d8i s GLU 8 Cb 0.00 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 2d8i s GLU 8 CO 0.00 -0.07 0.56 0.42 -0.54 0.00 0.00 175.26 175.63 2d8i s ILE 9 N 1.88 4.99 0.86 -3.70 1.01 -1.26 -5.05 121.20 119.92 2d8i s ILE 9 Ca -0.05 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 2d8i s ILE 9 Cb -0.04 -3.97 0.11 0.00 0.01 0.00 0.00 42.46 38.58 2d8i s ILE 9 CO -0.15 -0.17 1.14 -1.61 0.00 0.00 0.00 174.94 174.14 2d8i s GLU 10 N 2.48 1.46 0.11 2.79 8.01 -1.26 -4.94 118.70 127.35 2d8i s GLU 10 Ca 0.21 1.46 -0.19 0.00 0.01 0.00 0.00 54.97 56.46 2d8i s GLU 10 Cb -0.15 -1.78 -0.06 0.00 -4.31 0.00 0.00 34.13 27.82 2d8i s GLU 10 CO 0.13 -2.29 1.72 0.82 0.01 0.00 0.00 175.26 175.64 2d8i h ILE 11 N -1.54 1.11 -1.58 -1.63 2.04 -2.02 -3.43 117.51 110.47 2d8i h ILE 11 Ca -0.44 -0.30 -0.73 0.00 1.00 0.00 0.00 64.86 64.40 2d8i h ILE 11 Cb 1.26 0.88 0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2d8i h ILE 11 CO 0.45 0.11 0.87 0.00 0.00 0.00 0.00 178.15 179.58 2d8i n PRO 13 N 5.17 -2.34 -1.16 0.00 -0.04 -1.26 -4.86 135.00 130.50 2d8i n PRO 13 Ca 0.26 -1.08 -0.31 0.00 -0.04 0.00 0.00 63.50 62.33 2d8i n PRO 13 Cb 0.14 -1.01 0.11 0.00 -0.04 0.00 0.00 33.50 32.70 2d8i n PRO 13 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2d8i s LYS 14 N -4.53 1.94 0.14 0.54 1.02 -1.26 -4.56 119.74 113.03 2d8i s LYS 14 Ca 0.44 1.19 0.09 0.00 0.02 0.00 0.00 55.97 57.70 2d8i s LYS 14 Cb -0.04 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 2d8i s LYS 14 CO 0.34 -1.87 -0.20 0.14 -0.92 0.00 0.00 175.35 172.83 2d8i s VAL 15 N -2.87 1.84 -0.15 3.17 -7.23 0.06 -4.95 120.40 110.28 2d8i s VAL 15 Ca 0.62 -1.76 -0.12 0.00 -1.81 0.00 0.00 61.98 58.91 2d8i s VAL 15 Cb -0.18 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 2d8i s VAL 15 CO 0.56 -0.17 0.25 0.42 -0.31 0.00 0.00 175.10 175.86 2d8i s THR 16 N -1.60 5.33 0.07 5.32 -4.23 -1.26 -0.03 115.64 119.24 2d8i s THR 16 Ca 0.12 0.46 0.09 0.00 -1.18 0.00 0.00 61.69 61.19 2d8i s THR 16 Cb -0.08 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 2d8i s THR 16 CO 0.06 0.44 -0.25 0.00 -0.54 0.00 0.00 174.62 174.33 2d8i s GLN 17 N 0.14 1.74 -0.31 3.99 -2.07 0.47 -4.97 119.66 118.65 2d8i s GLN 17 Ca 0.15 -1.15 -0.05 0.00 -1.82 0.00 0.00 55.36 52.49 2d8i s GLN 17 Cb -0.13 -1.99 0.03 0.00 -1.09 0.00 0.00 33.01 29.83 2d8i s GLN 17 CO 0.03 0.50 0.05 -1.54 -1.32 0.00 0.00 175.29 173.02 2d8i s SER 18 N -1.50 5.03 -0.42 12.60 1.04 -1.26 -1.59 113.70 127.60 2d8i s SER 18 Ca 0.13 -1.02 -0.21 0.00 0.48 0.00 0.00 55.95 55.33 2d8i s SER 18 Cb -0.10 -1.81 0.02 0.00 0.10 0.00 0.00 66.02 64.23 2d8i s SER 18 CO 0.04 -0.25 0.66 -0.63 0.98 0.00 0.00 173.24 174.04 2d8i s ILE 19 N 1.38 4.82 -0.52 -1.02 1.09 0.37 -4.91 121.20 122.41 2d8i s ILE 19 Ca -0.01 0.29 -0.15 0.00 -1.10 0.00 0.00 60.65 59.68 2d8i s ILE 19 Cb -0.19 -4.19 0.12 0.00 -1.06 0.00 0.00 42.46 37.15 2d8i s ILE 19 CO 0.01 -0.54 0.46 -1.38 -0.10 0.00 0.00 174.94 173.39 2d8i s HIS 20 N 2.86 3.27 -0.00 3.97 -3.43 -1.26 -1.27 115.29 119.43 2d8i s HIS 20 Ca 0.24 -1.31 -0.02 0.00 -0.80 0.00 0.00 55.06 53.17 2d8i s HIS 20 Cb -0.14 -3.64 -0.04 0.00 -1.43 0.00 0.00 32.58 27.33 2d8i s HIS 20 CO 0.18 -0.98 0.18 0.42 -2.00 0.00 0.00 174.74 172.55 2d8i s ILE 21 N 1.57 5.41 -0.13 -5.38 1.01 -0.12 -4.95 121.20 118.61 2d8i s ILE 21 Ca 0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 2d8i s ILE 21 Cb -0.28 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.69 2d8i s ILE 21 CO 0.03 0.30 0.31 -1.61 0.00 0.00 0.00 174.94 173.98 2d8i s GLU 22 N -2.01 0.28 0.45 2.79 8.01 -1.26 -0.49 118.70 126.47 2d8i s GLU 22 Ca 0.28 0.65 0.08 0.00 0.01 0.00 0.00 54.97 55.99 2d8i s GLU 22 Cb -0.13 -0.07 0.01 0.00 -4.31 0.00 0.00 34.13 29.63 2d8i s GLU 22 CO 0.20 -0.17 0.51 0.15 0.01 0.00 0.00 175.26 175.96 2d8i s LYS 23 N 1.39 2.60 0.00 1.61 1.02 0.52 -4.96 119.74 121.91 2d8i s LYS 23 Ca -0.09 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.43 2d8i s LYS 23 Cb -0.10 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2d8i s LYS 23 CO -0.10 -0.34 0.00 0.45 -0.92 0.00 0.00 175.35 174.44 2d8i n SER 24 N -1.77 0.00 -4.07 2.83 2.88 -1.26 -4.81 113.62 107.42 2d8i n SER 24 Ca 0.06 0.10 -0.34 0.00 -1.33 0.00 0.00 58.87 57.36 2d8i n SER 24 Cb 0.61 -0.28 -0.08 0.00 -0.75 0.00 0.00 64.21 63.71 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 -2.51 5.77 0.49 -3.46 2.15 -1.26 -4.92 116.67 112.93 2d8i s ASP 25 Ca 0.00 -3.75 0.39 0.00 0.43 0.00 0.00 52.55 49.62 2d8i s ASP 25 Cb 0.00 -1.86 1.58 0.00 -0.30 0.00 0.00 42.92 42.35 2d8i s ASP 25 CO 0.00 -0.16 1.60 0.71 -0.17 0.00 0.00 175.17 177.14 2d8i h THR 26 N 4.13 0.05 -0.85 1.71 1.35 -1.88 0.24 112.91 117.67 2d8i h THR 26 Ca 0.16 -0.01 0.20 0.00 -0.55 0.00 0.00 66.41 66.20 2d8i h THR 26 Cb 0.80 0.03 -0.16 0.00 -1.73 0.00 0.00 68.15 67.09 2d8i h THR 26 CO 0.83 0.00 -0.06 0.00 -0.25 0.00 0.00 175.52 176.04 2d8i h ALA 27 N 1.36 0.81 0.00 6.62 0.00 -1.96 -3.34 119.26 122.76 2d8i h ALA 27 Ca 0.88 0.30 0.00 0.00 0.00 0.00 0.00 54.91 56.09 2d8i h ALA 27 Cb 3.13 0.54 0.00 0.00 0.00 0.00 0.00 17.79 21.46 2d8i h ALA 27 CO -0.26 -0.45 -0.48 0.00 0.00 0.00 0.00 179.25 178.06 2d8i n ALA 28 N -3.15 1.60 -1.80 0.00 0.00 0.75 -4.92 120.51 112.99 2d8i n ALA 28 Ca 0.16 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 2d8i n ALA 28 Cb 0.53 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 2d8i n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d8i s ASP 29 N -5.62 5.34 -0.06 0.00 1.01 -0.58 -4.96 116.67 111.80 2d8i s ASP 29 Ca -0.14 1.25 -0.02 0.00 0.71 0.00 0.00 52.55 54.36 2d8i s ASP 29 Cb 0.02 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2d8i s ASP 29 CO 0.21 -2.16 0.03 0.42 0.21 0.00 0.00 175.17 173.88 2d8i s THR 30 N 8.85 4.49 0.00 -1.27 -4.23 -1.26 -3.94 115.64 118.27 2d8i s THR 30 Ca 0.87 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2d8i s THR 30 Cb -0.22 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.67 2d8i s THR 30 CO 0.30 0.53 0.71 -1.22 -0.54 0.00 0.00 174.62 174.40 2d8i n TYR 31 N 1.85 0.00 0.00 3.99 4.01 -1.26 -4.88 117.16 120.86 2d8i n TYR 31 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2d8i n TYR 31 Cb 0.53 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.98 1.91 3.75 2.72 0.00 -1.26 -4.56 105.19 106.77 2d8i n GLY 32 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.76 3.40 0.31 1.61 -0.71 -1.26 -3.84 117.98 115.71 2d8i s PHE 33 Ca 0.00 0.32 0.10 0.00 -1.04 0.00 0.00 56.93 56.31 2d8i s PHE 33 Cb 0.00 -1.98 -0.05 0.00 -1.21 0.00 0.00 43.02 39.78 2d8i s PHE 33 CO 0.00 0.46 -0.07 0.45 -1.34 0.00 0.00 175.22 174.73 2d8i s SER 34 N -0.42 4.02 -0.05 1.98 0.15 -1.23 -5.00 113.70 113.16 2d8i s SER 34 Ca 0.10 -0.95 0.03 0.00 0.70 0.00 0.00 55.95 55.83 2d8i s SER 34 Cb -0.12 -0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 63.66 2d8i s SER 34 CO 0.02 -0.10 -0.13 -0.76 1.20 0.00 0.00 173.24 173.47 2d8i s LEU 35 N -3.63 2.83 -0.12 3.45 1.43 -1.26 -1.81 118.68 119.58 2d8i s LEU 35 Ca 0.32 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2d8i s LEU 35 Cb -0.03 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 2d8i s LEU 35 CO 0.18 0.34 -0.12 -0.94 0.23 0.00 0.00 176.35 176.04 2d8i s SER 36 N -0.80 4.12 -0.14 2.29 1.04 0.62 -4.87 113.70 115.96 2d8i s SER 36 Ca 0.12 -0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.11 2d8i s SER 36 Cb -0.11 -1.47 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 2d8i s SER 36 CO 0.01 0.21 0.42 -0.44 0.98 0.00 0.00 173.24 174.42 2d8i s SER 37 N 0.10 6.59 -0.01 7.02 0.01 -1.26 -1.50 113.70 124.65 2d8i s SER 37 Ca -0.05 0.69 0.01 0.00 1.31 0.00 0.00 55.95 57.91 2d8i s SER 37 Cb -0.15 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2d8i s SER 37 CO 0.04 0.01 -0.04 -0.69 0.41 0.00 0.00 173.24 172.97 2d8i s VAL 38 N 0.72 0.35 -0.25 3.43 1.01 -0.35 -5.00 120.40 120.32 2d8i s VAL 38 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 2d8i s VAL 38 Cb -0.15 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 35.95 2d8i s VAL 38 CO 0.08 0.11 -0.08 -0.70 0.00 0.00 0.00 175.10 174.51 2d8i s GLU 39 N 0.05 2.71 -0.24 2.72 2.12 -1.26 -0.80 118.70 123.99 2d8i s GLU 39 Ca -0.00 -1.05 0.02 0.00 0.36 0.00 0.00 54.97 54.29 2d8i s GLU 39 Cb -0.04 -2.93 0.05 0.00 0.26 0.00 0.00 34.13 31.48 2d8i s GLU 39 CO -0.00 -0.42 -0.12 -1.21 -0.54 0.00 0.00 175.26 172.96 2d8i s GLU 40 N 1.27 2.49 -1.41 4.30 2.02 0.20 -4.69 118.70 122.88 2d8i s GLU 40 Ca -0.01 -1.19 -0.09 0.00 0.02 0.00 0.00 54.97 53.70 2d8i s GLU 40 Cb -0.17 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.24 2d8i s GLU 40 CO -0.05 -0.47 1.08 -3.47 0.02 0.00 0.00 175.26 172.36 2d8i n ASP 41 N 4.51 -6.14 0.00 -0.19 2.03 -1.26 -1.24 116.55 114.26 2d8i n ASP 41 Ca -0.16 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2d8i n ASP 41 Cb 0.44 -4.85 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d8i n GLY 42 N -1.90 3.00 3.59 0.27 0.00 -1.26 -4.98 105.19 103.91 2d8i n GLY 42 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.42 4.15 -0.07 -0.61 1.01 -0.37 -5.01 121.20 118.87 2d8i s ILE 43 Ca 0.00 1.03 -0.14 0.00 0.00 0.00 0.00 60.65 61.54 2d8i s ILE 43 Cb 0.00 -4.65 -0.05 0.00 0.01 0.00 0.00 42.46 37.78 2d8i s ILE 43 CO 0.00 -1.14 0.37 -0.60 0.00 0.00 0.00 174.94 173.56 2d8i s ARG 44 N 4.61 4.04 0.23 2.79 3.52 -1.26 -0.63 118.95 132.25 2d8i s ARG 44 Ca 0.45 0.29 -0.08 0.00 -0.13 0.00 0.00 55.73 56.25 2d8i s ARG 44 Cb -0.08 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 2d8i s ARG 44 CO 0.29 0.48 0.34 1.03 -0.81 0.00 0.00 175.30 176.63 2d8i s ARG 45 N -0.35 1.41 0.19 5.12 0.52 0.02 -4.37 118.95 121.48 2d8i s ARG 45 Ca 0.21 -1.39 0.11 0.00 -0.52 0.00 0.00 55.73 54.14 2d8i s ARG 45 Cb -0.15 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 2d8i s ARG 45 CO 0.09 -0.54 -0.21 -0.51 0.02 0.00 0.00 175.30 174.15 2d8i s LEU 46 N -3.07 2.56 0.01 2.53 2.01 -1.26 -1.21 118.68 120.25 2d8i s LEU 46 Ca 0.28 -0.79 -0.07 0.00 0.01 0.00 0.00 54.13 53.57 2d8i s LEU 46 Cb 0.02 -1.29 -0.00 0.00 0.01 0.00 0.00 46.19 44.93 2d8i s LEU 46 CO 0.10 0.12 0.13 -0.31 1.01 0.00 0.00 176.35 177.40 2d8i s TYR 47 N -1.64 0.08 -0.86 0.29 1.51 -0.56 -2.77 117.35 113.40 2d8i s TYR 47 Ca 0.21 -0.22 -0.25 0.00 -1.01 0.00 0.00 57.07 55.80 2d8i s TYR 47 Cb -0.08 -0.07 0.02 0.00 -0.11 0.00 0.00 41.96 41.72 2d8i s TYR 47 CO 0.11 -0.31 1.51 0.08 -1.11 0.00 0.00 175.55 175.82 2d8i s VAL 48 N -1.71 3.72 0.10 0.71 1.01 -1.09 -0.27 120.40 122.87 2d8i s VAL 48 Ca -0.12 -0.20 -0.33 0.00 0.00 0.00 0.00 61.98 61.33 2d8i s VAL 48 Cb -0.06 -4.74 -0.13 0.00 0.00 0.00 0.00 36.38 31.45 2d8i s VAL 48 CO -0.00 -1.66 1.58 -1.13 0.00 0.00 0.00 175.10 173.89 2d8i h ASN 49 N 10.67 -1.35 -4.45 3.32 -1.24 -1.69 -2.85 115.58 117.99 2d8i h ASN 49 Ca -0.03 0.13 -0.51 0.00 0.71 0.00 0.00 56.30 56.60 2d8i h ASN 49 Cb 1.04 0.48 -0.13 0.00 0.73 0.00 0.00 38.32 40.44 2d8i h ASN 49 CO 1.32 -0.56 -0.50 -0.55 -1.29 0.00 0.00 177.43 175.85 2d8i s SER 50 N -4.59 2.22 -0.10 1.15 0.15 -1.25 -4.59 113.70 106.69 2d8i s SER 50 Ca -0.17 -1.71 -0.12 0.00 0.70 0.00 0.00 55.95 54.65 2d8i s SER 50 Cb 0.06 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 2d8i s SER 50 CO 0.62 -1.00 0.32 -0.69 1.20 0.00 0.00 173.24 173.69 2d8i s VAL 51 N -3.34 0.01 0.10 4.45 1.01 -1.26 -3.57 120.40 117.80 2d8i s VAL 51 Ca 0.32 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 2d8i s VAL 51 Cb 0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.82 2d8i s VAL 51 CO 0.20 -0.06 1.75 -0.75 0.00 0.00 0.00 175.10 176.25 2d8i s LYS 52 N -0.15 4.16 0.00 2.72 2.20 -1.25 -4.85 119.74 122.57 2d8i s LYS 52 Ca -0.03 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 2d8i s LYS 52 Cb -0.03 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2d8i s LYS 52 CO 0.01 -0.80 0.88 -1.91 -0.36 0.00 0.00 175.35 173.18 2d8i n GLU 53 N 5.68 0.00 -2.77 4.03 4.07 -1.26 -3.51 120.64 126.88 2d8i n GLU 53 Ca 0.17 0.57 -0.38 0.00 -0.06 0.00 0.00 57.16 57.46 2d8i n GLU 53 Cb 0.39 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 2d8i n GLU 53 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2d8i n THR 54 N -1.98 5.32 -0.56 6.31 -2.24 -1.26 -4.84 114.28 115.02 2d8i n THR 54 Ca 0.00 -5.88 0.00 0.00 -2.27 0.00 0.00 64.05 55.90 2d8i n THR 54 Cb 0.00 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 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 0.09 4.40 0.28 3.38 0.00 -1.23 -5.10 105.19 107.01 2d8i n GLY 55 Ca 0.41 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 1.74 -0.33 0.99 4.77 -1.26 -4.39 117.00 118.51 2d8i n LEU 56 Ca 0.00 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 2d8i n LEU 56 Cb 0.00 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.34 2d8i n LEU 56 CO 0.00 -0.16 0.48 0.00 -1.33 0.00 0.00 177.39 176.39 2d8i h ALA 57 N -0.81 -0.52 -0.57 -1.18 0.00 -1.91 -1.15 119.26 113.12 2d8i h ALA 57 Ca -0.14 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2d8i h ALA 57 Cb 0.98 1.30 -0.09 0.00 0.00 0.00 0.00 17.79 19.98 2d8i h ALA 57 CO -0.09 -0.87 -0.52 0.66 0.00 0.00 0.00 179.25 178.44 2d8i h SER 58 N -0.05 -1.81 -0.97 0.00 4.64 -1.77 -1.17 113.55 112.42 2d8i h SER 58 Ca 0.13 0.25 0.11 0.00 -0.47 0.00 0.00 61.79 61.81 2d8i h SER 58 Cb 0.38 0.76 -0.13 0.00 -0.31 0.00 0.00 62.40 63.11 2d8i h SER 58 CO -0.78 -0.31 -0.50 0.29 -0.87 0.00 0.00 176.83 174.66 2d8i n LYS 59 N -5.10 -0.36 -0.16 4.77 5.02 -0.48 -0.84 118.16 121.02 2d8i n LYS 59 Ca -0.01 1.48 -0.13 0.00 -2.02 0.00 0.00 58.31 57.62 2d8i n LYS 59 Cb 0.28 -2.18 -0.09 0.00 -0.02 0.00 0.00 35.03 33.02 2d8i n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2d8i h LYS 60 N 0.00 -0.35 0.00 1.97 6.56 -0.73 -3.45 116.57 120.57 2d8i h LYS 60 Ca 0.22 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 2d8i h LYS 60 Cb 0.47 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 2d8i h LYS 60 CO -0.93 -0.23 0.00 0.41 -2.06 0.00 0.00 179.45 176.64 2d8i n GLY 61 N -1.37 0.15 3.21 3.86 0.00 -0.02 -5.14 105.19 105.88 2d8i n GLY 61 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2d8i n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d8i n LEU 62 N 0.00 -3.08 -3.55 0.99 4.77 -1.19 -4.93 117.00 110.01 2d8i n LEU 62 Ca 0.00 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 2d8i n LEU 62 Cb 0.00 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 2d8i n LEU 62 CO 0.00 -4.80 0.80 -0.75 -1.33 0.00 0.00 177.39 171.32 2d8i s LYS 63 N -2.62 0.62 -0.52 3.23 2.20 -1.26 -4.36 119.74 117.03 2d8i s LYS 63 Ca 0.50 -0.15 -0.26 0.00 -0.36 0.00 0.00 55.97 55.70 2d8i s LYS 63 Cb -0.23 0.29 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 2d8i s LYS 63 CO 0.74 -0.25 2.24 0.00 -0.36 0.00 0.00 175.35 177.71 2d8i s ALA 64 N -2.46 1.83 0.00 3.13 0.00 -1.26 -2.97 121.76 120.03 2d8i s ALA 64 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2d8i s ALA 64 Cb -0.01 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2d8i s ALA 64 CO -0.06 -4.23 0.00 0.41 0.00 0.00 0.00 175.76 171.88 2d8i n GLY 65 N 5.90 0.80 3.90 0.00 0.00 -1.07 -5.02 105.19 109.70 2d8i n GLY 65 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 2d8i n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d8i s ASP 66 N -0.80 5.09 -0.18 1.61 1.01 -1.16 -4.97 116.67 117.27 2d8i s ASP 66 Ca 0.00 -0.76 -0.01 0.00 0.71 0.00 0.00 52.55 52.50 2d8i s ASP 66 Cb 0.00 -0.44 0.05 0.00 1.01 0.00 0.00 42.92 43.54 2d8i s ASP 66 CO 0.00 -0.75 -0.04 -0.70 0.21 0.00 0.00 175.17 173.89 2d8i s GLU 67 N -4.20 1.38 0.03 8.23 2.12 -1.26 -2.67 118.70 122.32 2d8i s GLU 67 Ca 0.49 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.92 2d8i s GLU 67 Cb -0.04 -2.12 -0.05 0.00 0.26 0.00 0.00 34.13 32.19 2d8i s GLU 67 CO 0.29 -0.48 1.14 0.42 -0.54 0.00 0.00 175.26 176.08 2d8i s ILE 68 N 1.62 4.27 -0.20 -3.70 -1.09 -1.12 -4.47 121.20 116.51 2d8i s ILE 68 Ca -0.01 1.63 0.13 0.00 -2.23 0.00 0.00 60.65 60.17 2d8i s ILE 68 Cb -0.16 -4.04 -0.23 0.00 -1.58 0.00 0.00 42.46 36.45 2d8i s ILE 68 CO -0.07 0.11 0.03 0.18 -1.23 0.00 0.00 174.94 173.96 2d8i n LEU 69 N 4.07 0.93 -3.50 2.97 4.77 -0.48 -4.49 117.00 121.27 2d8i n LEU 69 Ca 0.08 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 2d8i n LEU 69 Cb 0.47 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 2d8i n LEU 69 CO 0.55 0.62 0.41 -1.61 -1.33 0.00 0.00 177.39 176.03 2d8i s GLU 70 N -2.51 1.10 -0.25 3.23 8.01 -1.24 -4.09 118.70 122.96 2d8i s GLU 70 Ca -0.17 0.03 -0.01 0.00 0.01 0.00 0.00 54.97 54.83 2d8i s GLU 70 Cb 0.07 0.52 0.08 0.00 -4.31 0.00 0.00 34.13 30.48 2d8i s GLU 70 CO 0.77 -0.39 0.04 0.42 0.01 0.00 0.00 175.26 176.11 2d8i s ILE 71 N -1.93 0.89 -1.33 -1.63 1.01 0.23 -2.14 121.20 116.29 2d8i s ILE 71 Ca -0.08 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.48 2d8i s ILE 71 Cb -0.00 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 41.03 2d8i s ILE 71 CO 0.03 -0.36 0.94 0.59 0.00 0.00 0.00 174.94 176.14 2d8i n ASN 72 N 4.89 -6.05 -0.53 3.58 3.02 -0.68 -1.77 115.26 117.72 2d8i n ASN 72 Ca -0.07 -0.43 -0.05 0.00 -0.03 0.00 0.00 54.58 54.00 2d8i n ASN 72 Cb 0.45 -4.73 -0.01 0.00 -0.61 0.00 0.00 39.78 34.88 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 -2.58 -2.78 -4.32 6.41 5.03 -1.26 -5.04 115.26 110.72 2d8i n ASN 73 Ca -0.03 0.05 -0.26 0.00 0.87 0.00 0.00 54.58 55.21 2d8i n ASN 73 Cb 0.57 -1.61 -0.13 0.00 -1.02 0.00 0.00 39.78 37.59 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2d8i s ARG 74 N -3.56 1.30 -0.36 3.52 1.81 -0.73 -5.10 118.95 115.84 2d8i s ARG 74 Ca 0.00 -1.18 -0.29 0.00 -1.72 0.00 0.00 55.73 52.54 2d8i s ARG 74 Cb 0.00 -1.61 0.02 0.00 -0.45 0.00 0.00 34.95 32.91 2d8i s ARG 74 CO 0.00 0.39 1.09 0.00 -0.68 0.00 0.00 175.30 176.10 2d8i s ALA 75 N -1.05 3.42 0.12 2.13 0.00 -1.26 -0.60 121.76 124.52 2d8i s ALA 75 Ca 0.09 -0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.67 2d8i s ALA 75 Cb -0.10 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 2d8i s ALA 75 CO 0.04 -1.66 1.22 0.00 0.00 0.00 0.00 175.76 175.36 2d8i n ALA 76 N 7.10 -0.48 -0.26 0.00 0.00 -1.26 0.22 120.51 125.83 2d8i n ALA 76 Ca 0.12 0.64 0.18 0.00 0.00 0.00 0.00 53.44 54.39 2d8i n ALA 76 Cb 0.48 -0.08 0.49 0.00 0.00 0.00 0.00 19.45 20.33 2d8i n ALA 76 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2d8i h ASP 77 N 0.00 0.45 0.36 0.00 2.03 -1.92 0.40 116.42 117.73 2d8i h ASP 77 Ca 0.12 0.05 -0.06 0.00 -0.73 0.00 0.00 57.03 56.41 2d8i h ASP 77 Cb 0.31 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.77 2d8i h ASP 77 CO -0.71 0.18 -0.27 0.00 -1.03 0.00 0.00 179.24 177.41 2d8i h ALA 78 N 1.61 1.41 -2.32 4.15 0.00 0.23 -3.41 119.26 120.93 2d8i h ALA 78 Ca 0.48 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.55 2d8i h ALA 78 Cb 1.14 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 2d8i h ALA 78 CO -0.20 0.33 0.35 -0.51 0.00 0.00 0.00 179.25 179.22 2d8i s LEU 79 N -8.01 4.08 0.66 0.00 1.43 0.14 -5.00 118.68 111.99 2d8i s LEU 79 Ca -0.03 0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 53.81 2d8i s LEU 79 Cb 0.14 -3.04 0.08 0.00 0.03 0.00 0.00 46.19 43.40 2d8i s LEU 79 CO 0.68 -0.52 0.93 0.54 0.23 0.00 0.00 176.35 178.21 2d8i s ASN 80 N 1.51 4.77 0.34 2.29 2.20 -1.26 -4.79 114.94 120.00 2d8i s ASN 80 Ca 0.31 0.02 0.11 0.00 -0.94 0.00 0.00 52.86 52.36 2d8i s ASN 80 Cb -0.15 -0.65 0.91 0.00 -2.00 0.00 0.00 41.25 39.36 2d8i s ASN 80 CO 0.10 -1.56 1.77 0.77 -2.94 0.00 0.00 177.10 175.25 2d8i h SER 81 N -0.37 0.63 0.72 3.54 4.64 -1.97 0.70 113.55 121.44 2d8i h SER 81 Ca -0.41 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 2d8i h SER 81 Cb 1.29 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2d8i h SER 81 CO 0.50 0.17 -0.35 0.28 -0.87 0.00 0.00 176.83 176.57 2d8i h SER 82 N 0.59 -0.82 -0.40 4.97 0.02 -2.00 -2.09 113.55 113.82 2d8i h SER 82 Ca 0.59 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.64 2d8i h SER 82 Cb 1.17 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.85 2d8i h SER 82 CO -0.36 -0.54 -0.02 0.24 -1.14 0.00 0.00 176.83 175.01 2d8i h MET 83 N -1.06 0.08 -0.53 3.45 2.86 -1.78 -2.01 114.93 115.93 2d8i h MET 83 Ca -0.10 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.64 2d8i h MET 83 Cb 0.74 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.28 2d8i h MET 83 CO 0.16 0.05 -0.15 -0.07 1.06 0.00 0.00 176.91 177.96 2d8i h LEU 84 N 0.08 -0.56 -0.76 1.22 3.38 -0.88 0.52 115.31 118.31 2d8i h LEU 84 Ca 0.20 0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.47 2d8i h LEU 84 Cb 0.29 0.35 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 2d8i h LEU 84 CO -0.35 -0.19 0.31 0.50 0.09 0.00 0.00 178.44 178.80 2d8i h LYS 85 N -0.03 0.45 -0.18 1.13 3.64 -0.64 0.13 116.57 121.07 2d8i h LYS 85 Ca 0.25 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2d8i h LYS 85 Cb 0.41 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2d8i h LYS 85 CO -0.56 0.30 -0.32 0.22 -2.27 0.00 0.00 179.45 176.82 2d8i h ASP 86 N 0.46 0.38 -0.46 4.20 3.58 -0.73 -1.87 116.42 121.98 2d8i h ASP 86 Ca 0.42 -0.14 -0.13 0.00 0.42 0.00 0.00 57.03 57.59 2d8i h ASP 86 Cb 0.62 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2d8i h ASP 86 CO -0.39 0.68 -0.23 -0.26 -2.88 0.00 0.00 179.24 176.16 2d8i h PHE 87 N 0.32 1.12 0.00 0.28 -1.00 0.11 -2.74 116.94 115.03 2d8i h PHE 87 Ca 0.04 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.54 2d8i h PHE 87 Cb 0.72 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2d8i h PHE 87 CO 0.02 1.10 0.00 -0.07 -1.61 0.00 0.00 178.31 177.75 2d8i h LEU 88 N 0.82 0.00 -0.52 1.54 3.38 -0.79 -2.97 115.31 116.77 2d8i h LEU 88 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2d8i h LEU 88 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2d8i h LEU 88 CO 0.07 0.00 0.00 -1.28 0.09 0.00 0.00 178.44 177.32 2d8i h SER 89 N 0.00 0.00 -4.11 -0.43 0.87 -1.02 -3.45 113.55 105.40 2d8i h SER 89 Ca 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2d8i h SER 89 Cb 0.66 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2d8i h SER 89 CO 0.00 0.00 0.35 -1.10 -0.53 0.00 0.00 176.83 175.55 2d8i s GLN 90 N -3.32 4.11 0.18 2.24 -1.52 -1.12 -4.99 119.66 115.24 2d8i s GLN 90 Ca 0.06 1.06 -0.06 0.00 -1.95 0.00 0.00 55.36 54.47 2d8i s GLN 90 Cb 0.09 -2.16 0.09 0.00 -0.22 0.00 0.00 33.01 30.81 2d8i s GLN 90 CO 0.56 -0.14 1.53 -1.00 -0.25 0.00 0.00 175.29 176.00 2d8i h PRO 91 N 1.51 0.73 -6.53 2.91 0.13 -1.88 -3.45 132.00 125.42 2d8i h PRO 91 Ca -0.48 -0.39 -0.68 0.00 -0.87 0.00 0.00 66.00 63.58 2d8i h PRO 91 Cb 1.18 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 2d8i h PRO 91 CO 0.61 1.01 -0.77 0.45 -0.23 0.00 0.00 178.00 179.07 2d8i s SER 92 N -6.85 4.10 0.01 1.44 0.15 -1.26 -0.35 113.70 110.93 2d8i s SER 92 Ca -0.09 -0.38 -0.19 0.00 0.70 0.00 0.00 55.95 55.99 2d8i s SER 92 Cb 0.12 -0.74 0.04 0.00 -1.71 0.00 0.00 66.02 63.72 2d8i s SER 92 CO 0.85 0.23 0.42 -0.76 1.20 0.00 0.00 173.24 175.18 2d8i s LEU 93 N -1.69 0.39 -0.17 3.45 1.43 0.36 -4.98 118.68 117.47 2d8i s LEU 93 Ca 0.17 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2d8i s LEU 93 Cb -0.11 1.70 0.04 0.00 0.03 0.00 0.00 46.19 47.86 2d8i s LEU 93 CO 0.08 -0.59 -0.06 -0.83 0.23 0.00 0.00 176.35 175.18 2d8i s GLY 94 N -1.67 1.03 0.19 -3.19 0.00 -1.26 -0.95 107.32 101.47 2d8i s GLY 94 Ca -0.09 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.78 2d8i s GLY 94 CO 0.02 0.89 0.16 1.08 0.00 0.00 0.00 173.10 175.24 2d8i s LEU 95 N 1.58 3.81 -0.25 0.66 1.43 -0.40 -1.68 118.68 123.83 2d8i s LEU 95 Ca 0.00 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2d8i s LEU 95 Cb -0.15 -2.40 0.07 0.00 0.03 0.00 0.00 46.19 43.74 2d8i s LEU 95 CO -0.08 0.03 0.01 -0.22 0.23 0.00 0.00 176.35 176.33 2d8i s LEU 96 N -3.34 2.43 0.30 1.79 2.96 -0.91 -0.48 118.68 121.43 2d8i s LEU 96 Ca 0.32 -1.31 0.11 0.00 -0.22 0.00 0.00 54.13 53.03 2d8i s LEU 96 Cb -0.09 -1.03 -0.06 0.00 0.50 0.00 0.00 46.19 45.51 2d8i s LEU 96 CO 0.24 -0.30 -0.15 0.68 -1.32 0.00 0.00 176.35 175.50 2d8i s VAL 97 N 1.49 2.32 0.08 1.68 -7.23 -0.62 -1.38 120.40 116.73 2d8i s VAL 97 Ca 0.00 -2.31 -0.05 0.00 -1.81 0.00 0.00 61.98 57.81 2d8i s VAL 97 Cb -0.18 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2d8i s VAL 97 CO -0.11 -0.32 0.32 -0.13 -0.31 0.00 0.00 175.10 174.55 2d8i s ARG 98 N -3.57 3.60 0.18 4.82 0.52 -1.26 -0.40 118.95 122.84 2d8i s ARG 98 Ca 0.31 -0.09 -0.03 0.00 -0.52 0.00 0.00 55.73 55.39 2d8i s ARG 98 Cb -0.01 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 2d8i s ARG 98 CO 0.15 0.56 0.16 -0.08 0.02 0.00 0.00 175.30 176.11 2d8i s THR 99 N -1.49 0.04 -0.20 0.02 -1.32 0.95 -4.93 115.64 108.72 2d8i s THR 99 Ca 0.35 -1.83 -0.10 0.00 -1.21 0.00 0.00 61.69 58.90 2d8i s THR 99 Cb -0.13 -2.22 -0.05 0.00 -1.51 0.00 0.00 72.50 68.59 2d8i s THR 99 CO 0.21 -0.20 0.13 -0.31 -2.21 0.00 0.00 174.62 172.24 2d8i s TYR 100 N -4.08 3.38 0.33 9.09 1.51 -1.26 -0.76 117.35 125.57 2d8i s TYR 100 Ca 0.29 0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 56.36 2d8i s TYR 100 Cb 0.06 -2.17 -0.10 0.00 -0.11 0.00 0.00 41.96 39.65 2d8i s TYR 100 CO 0.06 0.25 1.22 -1.25 -1.11 0.00 0.00 175.55 174.72 2d8i s PRO 101 N 0.46 4.35 0.18 -1.71 0.04 -1.26 -4.95 135.00 132.10 2d8i s PRO 101 Ca 0.08 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.22 2d8i s PRO 101 Cb -0.11 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2d8i s PRO 101 CO -0.01 -0.12 -0.17 -1.21 0.04 0.00 0.00 177.00 175.54 2d8i s GLU 102 N -1.82 1.29 -0.10 4.56 0.41 -1.26 -5.01 118.70 116.77 2d8i s GLU 102 Ca 0.50 -1.47 0.04 0.00 -0.41 0.00 0.00 54.97 53.63 2d8i s GLU 102 Cb -0.36 -1.25 0.29 0.00 -1.78 0.00 0.00 34.13 31.04 2d8i s GLU 102 CO 0.46 0.24 1.05 -0.11 -0.49 0.00 0.00 175.26 176.41 2d8i n LEU 103 N 0.05 3.12 -0.00 1.80 7.94 -1.26 -3.48 117.00 125.17 2d8i n LEU 103 Ca -0.11 -1.59 0.06 0.00 -1.11 0.00 0.00 56.01 53.26 2d8i n LEU 103 Cb 0.58 -0.58 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 2d8i n LEU 103 CO 0.31 0.46 -0.04 1.21 -1.11 0.00 0.00 177.39 178.22 2d8i n GLU 104 N 0.15 2.80 -3.56 1.96 4.07 -1.26 -4.99 120.64 119.82 2d8i n GLU 104 Ca 0.13 -0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.90 2d8i n GLU 104 Cb 0.68 -1.10 -0.05 0.00 -0.06 0.00 0.00 31.44 30.91 2d8i n GLU 104 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2d8i s GLU 105 N -2.20 3.73 -0.33 5.31 -1.05 -1.23 -4.69 118.70 118.24 2d8i s GLU 105 Ca 0.05 0.12 -0.11 0.00 -0.15 0.00 0.00 54.97 54.87 2d8i s GLU 105 Cb 0.09 -2.84 0.02 0.00 -0.44 0.00 0.00 34.13 30.96 2d8i s GLU 105 CO 0.52 0.46 0.31 0.41 0.95 0.00 0.00 175.26 177.90 2d8i n GLY 106 N 0.32 -2.03 3.26 -3.83 0.00 -1.26 -4.99 105.19 96.65 2d8i n GLY 106 Ca -0.03 0.79 -0.34 0.00 0.00 0.00 0.00 46.02 46.43 2d8i n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d8i s VAL 107 N -1.88 2.98 0.20 1.61 1.01 -1.26 -5.08 120.40 117.97 2d8i s VAL 107 Ca 0.14 -0.63 -0.32 0.00 0.00 0.00 0.00 61.98 61.18 2d8i s VAL 107 Cb -0.03 -2.33 -0.12 0.00 0.00 0.00 0.00 36.38 33.90 2d8i s VAL 107 CO 0.69 0.46 1.73 -0.70 0.00 0.00 0.00 175.10 177.28 2d8i s GLU 108 N 1.37 4.12 -0.28 2.72 -6.30 -1.26 -4.97 118.70 114.10 2d8i s GLU 108 Ca 0.05 2.61 -0.25 0.00 -2.50 0.00 0.00 54.97 54.87 2d8i s GLU 108 Cb -0.14 -3.11 0.13 0.00 0.00 0.00 0.00 34.13 31.01 2d8i s GLU 108 CO -0.06 -0.76 1.10 -1.54 0.02 0.00 0.00 175.26 174.02 2d8i s SER 109 N 1.29 -0.38 0.32 -1.70 1.04 -1.26 -5.16 113.70 107.86 2d8i s SER 109 Ca 0.75 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2d8i s SER 109 Cb -0.50 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2d8i s SER 109 CO 0.32 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2d8i n GLY 110 N 2.02 -1.73 3.57 7.32 0.00 -1.26 -4.25 105.19 110.86 2d8i n GLY 110 Ca -0.12 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.15 2.54 0.01 1.61 0.04 -1.26 -4.92 135.00 129.88 2d8i s PRO 111 Ca 0.00 -0.53 -0.37 0.00 0.04 0.00 0.00 61.00 60.14 2d8i s PRO 111 Cb 0.00 -5.11 -0.19 0.00 0.04 0.00 0.00 34.50 29.24 2d8i s PRO 111 CO 0.00 -3.54 0.97 0.45 0.04 0.00 0.00 177.00 174.92 2d8i n SER 112 N 14.07 -0.09 -4.04 6.66 2.88 -1.26 -4.93 113.62 126.91 2d8i n SER 112 Ca 0.41 1.09 -0.31 0.00 -1.33 0.00 0.00 58.87 58.73 2d8i n SER 112 Cb 0.47 -0.87 -0.16 0.00 -0.75 0.00 0.00 64.21 62.90 2d8i n SER 112 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8i s SER 113 N -0.06 3.76 0.00 -3.46 0.15 -1.26 -5.21 113.70 107.62 2d8i s SER 113 Ca 0.84 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2d8i s SER 113 Cb -1.17 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2d8i s SER 113 CO 0.54 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.44