#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 0.79 -0.23 1.61 1.04 -1.26 -5.01 113.70 110.63 2d8i s SER 2 Ca 0.00 1.48 -0.00 0.00 0.48 0.00 0.00 55.95 57.90 2d8i s SER 2 Cb 0.00 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.86 2d8i s SER 2 CO 0.00 -4.32 -0.10 -0.94 0.98 0.00 0.00 173.24 168.86 2d8i s SER 3 N -2.50 4.03 0.00 7.02 1.04 -1.26 -4.84 113.70 117.20 2d8i s SER 3 Ca 0.69 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2d8i s SER 3 Cb -0.25 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2d8i s SER 3 CO 0.65 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.38 2d8i n GLY 4 N 4.63 -0.21 3.25 7.32 0.00 -1.26 -5.14 105.19 113.78 2d8i n GLY 4 Ca -0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.62 2.59 -0.07 1.61 0.15 -1.26 -5.14 113.70 109.96 2d8i s SER 5 Ca 0.00 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.26 2d8i s SER 5 Cb 0.00 -0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 64.04 2d8i s SER 5 CO 0.00 0.25 -0.20 -0.44 1.20 0.00 0.00 173.24 174.05 2d8i s SER 6 N -0.68 2.61 0.00 5.45 0.01 -1.26 -5.06 113.70 114.77 2d8i s SER 6 Ca 0.08 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2d8i s SER 6 Cb -0.09 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2d8i s SER 6 CO -0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2d8i n GLY 7 N 3.36 -1.93 3.16 3.44 0.00 -1.26 -5.16 105.19 106.79 2d8i n GLY 7 Ca -0.19 1.01 -0.26 0.00 0.00 0.00 0.00 46.02 46.58 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 1.80 -0.16 1.61 -1.05 -1.26 -5.12 118.70 114.52 2d8i s GLU 8 Ca 0.00 -0.65 -0.25 0.00 -0.15 0.00 0.00 54.97 53.92 2d8i s GLU 8 Cb 0.00 -1.59 -0.02 0.00 -0.44 0.00 0.00 34.13 32.09 2d8i s GLU 8 CO 0.00 0.29 0.82 0.42 0.95 0.00 0.00 175.26 177.74 2d8i s ILE 9 N -0.07 4.89 0.89 1.83 1.01 -1.26 -5.04 121.20 123.44 2d8i s ILE 9 Ca -0.02 1.62 -0.11 0.00 0.00 0.00 0.00 60.65 62.14 2d8i s ILE 9 Cb -0.11 -4.13 0.13 0.00 0.01 0.00 0.00 42.46 38.36 2d8i s ILE 9 CO 0.02 0.04 1.09 -1.83 0.00 0.00 0.00 174.94 174.26 2d8i s GLU 10 N 2.08 1.30 -0.16 2.79 -1.05 -1.26 -5.00 118.70 117.41 2d8i s GLU 10 Ca 0.38 0.97 -0.22 0.00 -0.15 0.00 0.00 54.97 55.95 2d8i s GLU 10 Cb -0.17 -1.80 -0.23 0.00 -0.44 0.00 0.00 34.13 31.49 2d8i s GLU 10 CO 0.13 -2.25 0.48 0.82 0.95 0.00 0.00 175.26 175.38 2d8i h ILE 11 N -1.56 1.21 -2.08 1.83 1.08 -2.09 -3.47 117.51 112.43 2d8i h ILE 11 Ca -0.48 -2.29 -0.62 0.00 -0.39 0.00 0.00 64.86 61.07 2d8i h ILE 11 Cb 1.27 2.71 0.11 0.00 -3.07 0.00 0.00 36.82 37.84 2d8i h ILE 11 CO 0.52 0.51 -0.04 0.00 -0.69 0.00 0.00 178.15 178.45 2d8i n PRO 13 N 0.81 -2.06 -4.37 0.00 -0.04 -1.26 -5.08 135.00 123.01 2d8i n PRO 13 Ca 0.12 -0.85 -0.18 0.00 -0.04 0.00 0.00 63.50 62.55 2d8i n PRO 13 Cb 0.30 -0.79 -0.10 0.00 -0.04 0.00 0.00 33.50 32.86 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 -4.20 1.47 0.03 0.54 -0.14 -1.26 -4.52 119.74 111.66 2d8i s LYS 14 Ca 0.34 -1.79 0.03 0.00 -1.36 0.00 0.00 55.97 53.19 2d8i s LYS 14 Cb -0.03 -0.56 -0.02 0.00 -1.68 0.00 0.00 37.83 35.54 2d8i s LYS 14 CO 0.26 -0.21 -0.09 0.14 -0.76 0.00 0.00 175.35 174.70 2d8i s VAL 15 N -3.51 0.65 0.02 3.17 -7.23 0.18 -4.92 120.40 108.77 2d8i s VAL 15 Ca 0.35 -0.78 -0.20 0.00 -1.81 0.00 0.00 61.98 59.54 2d8i s VAL 15 Cb 0.08 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 36.33 2d8i s VAL 15 CO 0.13 -0.12 0.58 0.42 -0.31 0.00 0.00 175.10 175.81 2d8i s THR 16 N -0.83 4.85 -0.03 5.32 -4.23 -1.26 -0.12 115.64 119.33 2d8i s THR 16 Ca -0.03 1.23 0.01 0.00 -1.18 0.00 0.00 61.69 61.71 2d8i s THR 16 Cb -0.07 -3.92 0.03 0.00 1.34 0.00 0.00 72.50 69.88 2d8i s THR 16 CO 0.00 0.47 -0.01 0.00 -0.54 0.00 0.00 174.62 174.55 2d8i s GLN 17 N -0.54 0.41 -0.17 3.99 -2.07 0.23 -4.93 119.66 116.58 2d8i s GLN 17 Ca 0.30 0.03 -0.07 0.00 -1.82 0.00 0.00 55.36 53.80 2d8i s GLN 17 Cb -0.19 -0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 31.14 2d8i s GLN 17 CO 0.18 -0.12 0.06 -1.54 -1.32 0.00 0.00 175.29 172.55 2d8i s SER 18 N 0.96 5.64 -0.25 12.60 1.04 -1.26 -1.50 113.70 130.93 2d8i s SER 18 Ca -0.10 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 2d8i s SER 18 Cb -0.14 -1.94 -0.00 0.00 0.10 0.00 0.00 66.02 64.04 2d8i s SER 18 CO -0.01 0.19 0.02 -0.63 0.98 0.00 0.00 173.24 173.79 2d8i s ILE 19 N 0.24 3.70 -0.42 -1.02 1.09 -0.39 -4.98 121.20 119.43 2d8i s ILE 19 Ca 0.04 -0.53 -0.17 0.00 -1.10 0.00 0.00 60.65 58.89 2d8i s ILE 19 Cb -0.12 -2.78 0.02 0.00 -1.06 0.00 0.00 42.46 38.52 2d8i s ILE 19 CO 0.00 0.28 0.43 -1.38 -0.10 0.00 0.00 174.94 174.18 2d8i s HIS 20 N 1.50 3.17 -0.04 3.97 -3.43 -1.26 -2.37 115.29 116.83 2d8i s HIS 20 Ca 0.04 -0.40 -0.05 0.00 -0.80 0.00 0.00 55.06 53.85 2d8i s HIS 20 Cb -0.15 -2.89 -0.04 0.00 -1.43 0.00 0.00 32.58 28.06 2d8i s HIS 20 CO -0.00 -0.70 0.20 0.42 -2.00 0.00 0.00 174.74 172.65 2d8i s ILE 21 N 2.11 5.42 -0.15 -5.38 1.01 -0.63 -4.99 121.20 118.58 2d8i s ILE 21 Ca 0.12 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 2d8i s ILE 21 Cb -0.17 -3.51 0.07 0.00 0.01 0.00 0.00 42.46 38.86 2d8i s ILE 21 CO 0.13 0.43 0.20 -1.61 0.00 0.00 0.00 174.94 174.09 2d8i s GLU 22 N -1.59 0.12 0.64 2.79 2.02 -1.26 -1.90 118.70 119.53 2d8i s GLU 22 Ca 0.23 0.37 -0.07 0.00 0.02 0.00 0.00 54.97 55.53 2d8i s GLU 22 Cb -0.13 -0.79 0.03 0.00 0.10 0.00 0.00 34.13 33.34 2d8i s GLU 22 CO 0.13 -0.49 0.97 0.15 0.02 0.00 0.00 175.26 176.04 2d8i s LYS 23 N 2.31 2.69 -0.37 1.61 1.02 0.41 -5.01 119.74 122.40 2d8i s LYS 23 Ca 0.04 0.01 -0.02 0.00 0.02 0.00 0.00 55.97 56.02 2d8i s LYS 23 Cb -0.14 -2.20 0.09 0.00 -0.52 0.00 0.00 37.83 35.06 2d8i s LYS 23 CO -0.09 -0.92 0.14 0.45 -0.92 0.00 0.00 175.35 174.01 2d8i s SER 24 N -4.38 5.14 -0.29 2.83 0.15 -1.26 -4.67 113.70 111.22 2d8i s SER 24 Ca 0.56 -1.79 -0.01 0.00 0.70 0.00 0.00 55.95 55.41 2d8i s SER 24 Cb -0.11 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 2d8i s SER 24 CO 0.46 -0.45 0.25 0.47 1.20 0.00 0.00 173.24 175.17 2d8i n ASP 25 N 4.59 -2.60 -0.54 5.45 8.00 -1.26 -4.60 116.55 125.58 2d8i n ASP 25 Ca -0.05 -0.17 0.41 0.00 0.71 0.00 0.00 54.79 55.69 2d8i n ASP 25 Cb 0.42 -1.69 0.64 0.00 -0.02 0.00 0.00 41.12 40.47 2d8i n ASP 25 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2d8i n THR 26 N -1.87 -0.02 -0.23 -3.53 -1.04 -1.26 -0.74 114.28 105.59 2d8i n THR 26 Ca -0.05 1.21 0.22 0.00 -2.04 0.00 0.00 64.05 63.40 2d8i n THR 26 Cb 0.54 -2.01 0.41 0.00 -1.82 0.00 0.00 70.33 67.44 2d8i n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d8i n ALA 27 N -2.71 0.72 0.03 2.41 0.00 -1.26 -3.52 120.51 116.18 2d8i n ALA 27 Ca 0.35 0.70 0.00 0.00 0.00 0.00 0.00 53.44 54.50 2d8i n ALA 27 Cb 1.57 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 20.31 2d8i n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8i n ALA 28 N -2.49 3.00 -1.69 0.00 0.00 0.08 -5.04 120.51 114.36 2d8i n ALA 28 Ca 0.26 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.26 2d8i n ALA 28 Cb 0.90 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 20.44 2d8i n ALA 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2d8i n ASP 29 N -3.02 3.33 -3.84 0.00 9.92 -1.21 -4.99 116.55 116.74 2d8i n ASP 29 Ca 0.00 1.10 -0.12 0.00 -0.53 0.00 0.00 54.79 55.24 2d8i n ASP 29 Cb 0.00 -1.49 -0.12 0.00 -0.64 0.00 0.00 41.12 38.87 2d8i n ASP 29 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2d8i s THR 30 N 0.58 0.01 0.58 -3.53 -4.23 -1.26 -4.15 115.64 103.64 2d8i s THR 30 Ca 0.73 -0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.94 2d8i s THR 30 Cb -0.61 -0.22 -0.12 0.00 1.34 0.00 0.00 72.50 72.90 2d8i s THR 30 CO 0.41 -0.07 0.08 -1.22 -0.54 0.00 0.00 174.62 173.29 2d8i n TYR 31 N 2.76 -2.21 -2.01 3.99 4.01 -1.26 -4.91 117.16 117.53 2d8i n TYR 31 Ca -0.14 0.41 -0.25 0.00 -0.16 0.00 0.00 57.90 57.76 2d8i n TYR 31 Cb 0.59 -1.77 0.02 0.00 -0.31 0.00 0.00 39.34 37.87 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 2.28 6.38 3.07 2.72 0.00 -1.26 -4.98 105.19 113.40 2d8i n GLY 32 Ca 0.09 -2.66 -0.17 0.00 0.00 0.00 0.00 46.02 43.28 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 -3.61 0.86 0.36 1.61 -0.71 -1.26 0.21 117.98 115.44 2d8i s PHE 33 Ca 0.51 -0.34 0.08 0.00 -1.04 0.00 0.00 56.93 56.15 2d8i s PHE 33 Cb 0.41 -0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 41.66 2d8i s PHE 33 CO 0.03 -0.02 0.12 0.45 -1.34 0.00 0.00 175.22 174.46 2d8i s SER 34 N -1.03 4.49 -0.08 1.98 0.15 -0.96 -4.97 113.70 113.28 2d8i s SER 34 Ca -0.02 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.73 2d8i s SER 34 Cb -0.07 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.65 2d8i s SER 34 CO 0.01 -0.34 -0.06 -0.76 1.20 0.00 0.00 173.24 173.28 2d8i s LEU 35 N -3.83 1.20 -0.02 3.45 1.43 -1.26 -2.98 118.68 116.67 2d8i s LEU 35 Ca 0.38 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2d8i s LEU 35 Cb -0.00 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2d8i s LEU 35 CO 0.22 -0.09 0.11 -0.55 0.23 0.00 0.00 176.35 176.27 2d8i s SER 36 N 1.35 5.91 -0.08 2.29 0.15 0.22 -4.92 113.70 118.61 2d8i s SER 36 Ca -0.03 0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.86 2d8i s SER 36 Cb -0.14 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 2d8i s SER 36 CO -0.03 0.29 -0.08 -0.44 1.20 0.00 0.00 173.24 174.18 2d8i s SER 37 N -1.65 4.52 -0.03 5.45 0.01 -1.26 -0.93 113.70 119.80 2d8i s SER 37 Ca 0.22 -0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.40 2d8i s SER 37 Cb -0.12 -1.23 0.03 0.00 0.21 0.00 0.00 66.02 64.91 2d8i s SER 37 CO 0.13 0.32 0.02 -0.69 0.41 0.00 0.00 173.24 173.43 2d8i s VAL 38 N -0.57 0.09 -0.45 3.43 1.01 -0.41 -4.97 120.40 118.53 2d8i s VAL 38 Ca 0.08 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 2d8i s VAL 38 Cb -0.12 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.08 2d8i s VAL 38 CO 0.02 0.15 0.39 -0.70 0.00 0.00 0.00 175.10 174.96 2d8i s GLU 39 N 1.38 3.00 -0.22 2.72 2.12 -1.26 -0.35 118.70 126.09 2d8i s GLU 39 Ca -0.05 -1.16 -0.04 0.00 0.36 0.00 0.00 54.97 54.09 2d8i s GLU 39 Cb -0.13 -4.07 -0.01 0.00 0.26 0.00 0.00 34.13 30.18 2d8i s GLU 39 CO -0.03 -0.94 -0.03 -1.21 -0.54 0.00 0.00 175.26 172.51 2d8i s GLU 40 N 1.78 3.42 -1.70 4.30 8.01 0.99 -4.54 118.70 130.96 2d8i s GLU 40 Ca 0.06 -0.60 0.00 0.00 0.01 0.00 0.00 54.97 54.43 2d8i s GLU 40 Cb -0.22 -3.03 0.00 0.00 -4.31 0.00 0.00 34.13 26.58 2d8i s GLU 40 CO 0.09 -0.16 0.00 -0.25 0.01 0.00 0.00 175.26 174.95 2d8i n ASP 41 N 4.70 -5.05 0.00 -0.19 8.00 -1.26 -0.55 116.55 122.21 2d8i n ASP 41 Ca -0.18 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2d8i n ASP 41 Cb 0.51 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d8i n GLY 42 N -0.69 3.28 3.66 0.44 0.00 -1.26 -5.03 105.19 105.58 2d8i n GLY 42 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.75 4.83 -0.08 -0.61 1.01 0.29 -5.01 121.20 118.88 2d8i s ILE 43 Ca 0.00 1.69 -0.21 0.00 0.00 0.00 0.00 60.65 62.13 2d8i s ILE 43 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2d8i s ILE 43 CO 0.00 -0.05 0.58 -0.60 0.00 0.00 0.00 174.94 174.87 2d8i s ARG 44 N 2.61 4.37 0.32 2.79 3.52 -1.26 -0.01 118.95 131.30 2d8i s ARG 44 Ca 0.38 0.66 0.04 0.00 -0.13 0.00 0.00 55.73 56.68 2d8i s ARG 44 Cb -0.16 -3.43 -0.06 0.00 -1.56 0.00 0.00 34.95 29.74 2d8i s ARG 44 CO 0.09 0.15 0.04 1.03 -0.81 0.00 0.00 175.30 175.81 2d8i s ARG 45 N 0.57 1.65 0.08 5.12 3.00 0.52 -4.52 118.95 125.38 2d8i s ARG 45 Ca 0.31 -1.91 0.08 0.00 0.00 0.00 0.00 55.73 54.21 2d8i s ARG 45 Cb -0.17 -0.93 -0.03 0.00 0.00 0.00 0.00 34.95 33.82 2d8i s ARG 45 CO 0.14 -0.16 -0.20 -0.51 0.00 0.00 0.00 175.30 174.58 2d8i s LEU 46 N -3.49 2.27 -0.13 2.53 2.01 -1.26 -1.29 118.68 119.32 2d8i s LEU 46 Ca 0.36 -0.64 -0.10 0.00 0.01 0.00 0.00 54.13 53.76 2d8i s LEU 46 Cb 0.08 -0.86 0.04 0.00 0.01 0.00 0.00 46.19 45.47 2d8i s LEU 46 CO 0.15 0.07 0.33 -0.31 1.01 0.00 0.00 176.35 177.60 2d8i s TYR 47 N -1.08 -0.41 -0.27 0.29 2.02 -0.11 -1.42 117.35 116.36 2d8i s TYR 47 Ca 0.06 0.96 -0.29 0.00 -0.37 0.00 0.00 57.07 57.43 2d8i s TYR 47 Cb -0.10 0.14 -0.01 0.00 -0.40 0.00 0.00 41.96 41.60 2d8i s TYR 47 CO 0.03 -0.23 1.41 0.08 -1.57 0.00 0.00 175.55 175.28 2d8i s VAL 48 N 0.68 3.98 -0.12 0.71 1.01 -0.35 -0.61 120.40 125.70 2d8i s VAL 48 Ca -0.04 1.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.77 2d8i s VAL 48 Cb -0.05 -3.99 -0.25 0.00 0.00 0.00 0.00 36.38 32.09 2d8i s VAL 48 CO -0.04 -0.40 0.86 -1.13 0.00 0.00 0.00 175.10 174.38 2d8i h ASN 49 N 9.79 -0.00 -5.39 3.32 -1.24 -1.87 -2.98 115.58 117.21 2d8i h ASN 49 Ca -0.29 -0.89 -0.19 0.00 0.71 0.00 0.00 56.30 55.64 2d8i h ASN 49 Cb 1.12 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 40.02 2d8i h ASN 49 CO 1.02 0.89 -0.65 -0.94 -1.29 0.00 0.00 177.43 176.46 2d8i s SER 50 N -6.11 0.35 -0.03 1.15 1.04 -1.26 -4.69 113.70 104.15 2d8i s SER 50 Ca -0.18 -1.21 -0.04 0.00 0.48 0.00 0.00 55.95 54.99 2d8i s SER 50 Cb -0.02 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2d8i s SER 50 CO 0.68 -0.72 0.10 -0.69 0.98 0.00 0.00 173.24 173.59 2d8i s VAL 51 N -4.03 0.03 -0.24 5.02 1.01 -1.25 -2.26 120.40 118.68 2d8i s VAL 51 Ca 0.24 -0.25 -0.35 0.00 0.00 0.00 0.00 61.98 61.63 2d8i s VAL 51 Cb 0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 36.38 36.11 2d8i s VAL 51 CO 0.02 -0.13 2.03 1.17 0.00 0.00 0.00 175.10 178.18 2d8i n LYS 52 N 2.53 1.53 -0.17 2.72 4.81 0.58 -4.82 118.16 125.34 2d8i n LYS 52 Ca -0.16 0.50 -0.02 0.00 -0.87 0.00 0.00 58.31 57.76 2d8i n LYS 52 Cb 0.58 -2.55 0.07 0.00 0.02 0.00 0.00 35.03 33.16 2d8i n LYS 52 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2d8i h GLU 53 N 10.87 0.23 -1.95 1.64 9.09 -2.00 -3.04 114.58 129.43 2d8i h GLU 53 Ca -0.38 -0.01 -0.58 0.00 0.05 0.00 0.00 59.36 58.43 2d8i h GLU 53 Cb 1.30 -0.05 -0.42 0.00 -1.65 0.00 0.00 28.75 27.93 2d8i h GLU 53 CO 0.98 0.16 -0.72 0.25 0.05 0.00 0.00 179.01 179.73 2d8i n THR 54 N -5.11 2.60 0.00 -1.06 -2.24 -1.26 -4.93 114.28 102.28 2d8i n THR 54 Ca 0.06 -5.22 0.00 0.00 -2.27 0.00 0.00 64.05 56.62 2d8i n THR 54 Cb 0.26 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 -0.30 2.98 0.61 3.38 0.00 -1.15 -5.11 105.19 105.59 2d8i n GLY 55 Ca 0.33 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 0.27 -0.31 0.99 4.77 -1.26 -4.38 117.00 117.08 2d8i n LEU 56 Ca 0.00 0.04 0.27 0.00 -0.03 0.00 0.00 56.01 56.29 2d8i n LEU 56 Cb 0.00 -0.26 0.46 0.00 -2.33 0.00 0.00 43.42 41.29 2d8i n LEU 56 CO 0.00 -0.51 0.82 0.00 -1.33 0.00 0.00 177.39 176.37 2d8i n ALA 57 N -2.76 0.91 0.06 -1.18 0.00 -1.26 0.18 120.51 116.45 2d8i n ALA 57 Ca -0.01 0.60 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 2d8i n ALA 57 Cb 0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 2d8i n ALA 57 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d8i h SER 58 N 0.00 -0.15 0.24 0.00 0.87 -1.79 -0.79 113.55 111.93 2d8i h SER 58 Ca 0.60 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2d8i h SER 58 Cb 1.90 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 2d8i h SER 58 CO -0.34 0.29 0.00 2.29 -0.53 0.00 0.00 176.83 178.54 2d8i n LYS 59 N -4.97 0.29 -0.09 2.24 2.85 0.46 -3.17 118.16 115.77 2d8i n LYS 59 Ca -0.09 0.10 -0.15 0.00 -1.05 0.00 0.00 58.31 57.13 2d8i n LYS 59 Cb 0.25 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.06 2d8i n LYS 59 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2d8i n LYS 60 N -1.22 0.52 0.00 -1.58 4.01 0.16 -5.01 118.16 115.03 2d8i n LYS 60 Ca 0.09 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 2d8i n LYS 60 Cb 0.11 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 2d8i n LYS 60 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2d8i n GLY 61 N 1.50 0.07 3.57 0.72 0.00 -0.80 -5.09 105.19 105.15 2d8i n GLY 61 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 1.66 -0.21 0.99 1.43 -0.37 -5.00 118.68 117.18 2d8i s LEU 62 Ca 0.00 1.77 -0.32 0.00 -1.03 0.00 0.00 54.13 54.55 2d8i s LEU 62 Cb 0.00 -3.88 0.15 0.00 0.03 0.00 0.00 46.19 42.49 2d8i s LEU 62 CO 0.00 -3.72 1.20 -0.75 0.23 0.00 0.00 176.35 173.30 2d8i s LYS 63 N -4.55 0.31 -0.80 1.70 2.20 -1.26 -4.50 119.74 112.83 2d8i s LYS 63 Ca 0.68 -0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 56.01 2d8i s LYS 63 Cb -0.24 0.15 -0.11 0.00 -1.51 0.00 0.00 37.83 36.12 2d8i s LYS 63 CO 0.62 -0.12 2.28 0.00 -0.36 0.00 0.00 175.35 177.78 2d8i s ALA 64 N -1.67 0.99 0.00 3.13 0.00 -1.26 -3.41 121.76 119.55 2d8i s ALA 64 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2d8i s ALA 64 Cb -0.01 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.55 2d8i s ALA 64 CO -0.04 -5.56 0.00 0.41 0.00 0.00 0.00 175.76 170.57 2d8i n GLY 65 N 6.77 0.00 3.32 0.00 0.00 -1.13 -5.01 105.19 109.15 2d8i n GLY 65 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 1.24 0.05 1.61 1.11 -1.22 -5.00 116.67 114.47 2d8i s ASP 66 Ca 0.00 -1.46 0.07 0.00 0.18 0.00 0.00 52.55 51.35 2d8i s ASP 66 Cb 0.00 0.27 -0.03 0.00 1.07 0.00 0.00 42.92 44.24 2d8i s ASP 66 CO 0.00 -0.80 -0.20 -1.83 1.18 0.00 0.00 175.17 173.51 2d8i s GLU 67 N -3.96 1.32 -0.10 8.23 1.03 -1.26 -1.21 118.70 122.76 2d8i s GLU 67 Ca 0.37 -0.96 -0.09 0.00 0.03 0.00 0.00 54.97 54.32 2d8i s GLU 67 Cb 0.07 -1.45 -0.04 0.00 -0.80 0.00 0.00 34.13 31.90 2d8i s GLU 67 CO 0.15 0.37 0.20 0.42 -1.33 0.00 0.00 175.26 175.07 2d8i s ILE 68 N -0.85 5.40 -0.15 1.83 -1.09 -0.51 -4.42 121.20 121.41 2d8i s ILE 68 Ca 0.07 0.35 0.06 0.00 -2.23 0.00 0.00 60.65 58.90 2d8i s ILE 68 Cb -0.09 -3.48 -0.14 0.00 -1.58 0.00 0.00 42.46 37.18 2d8i s ILE 68 CO 0.02 0.59 -0.05 0.18 -1.23 0.00 0.00 174.94 174.45 2d8i n LEU 69 N 2.08 1.48 -3.48 2.97 4.77 -0.39 -4.16 117.00 120.27 2d8i n LEU 69 Ca -0.18 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.60 2d8i n LEU 69 Cb 0.54 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2d8i n LEU 69 CO 0.33 0.55 0.44 -1.61 -1.33 0.00 0.00 177.39 175.78 2d8i s GLU 70 N -2.33 1.12 -0.29 3.23 2.02 -1.23 -4.28 118.70 116.95 2d8i s GLU 70 Ca -0.14 -0.05 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 2d8i s GLU 70 Cb 0.05 0.52 0.09 0.00 0.10 0.00 0.00 34.13 34.89 2d8i s GLU 70 CO 0.46 -0.42 0.07 0.42 0.02 0.00 0.00 175.26 175.82 2d8i s ILE 71 N -2.25 0.96 -1.29 -1.63 1.01 -0.36 -1.41 121.20 116.23 2d8i s ILE 71 Ca -0.05 -1.31 -0.08 0.00 0.00 0.00 0.00 60.65 59.20 2d8i s ILE 71 Cb -0.00 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2d8i s ILE 71 CO 0.00 -0.55 1.13 0.59 0.00 0.00 0.00 174.94 176.11 2d8i n ASN 72 N 4.83 -6.03 -1.81 3.58 3.02 0.93 -2.45 115.26 117.33 2d8i n ASN 72 Ca -0.04 -0.52 -0.10 0.00 -0.03 0.00 0.00 54.58 53.89 2d8i n ASN 72 Cb 0.43 -4.85 0.03 0.00 -0.61 0.00 0.00 39.78 34.78 2d8i n ASN 72 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2d8i n ASN 73 N -2.84 -3.75 -3.90 6.41 2.85 -1.26 -5.05 115.26 107.72 2d8i n ASN 73 Ca -0.00 -0.23 -0.14 0.00 -0.11 0.00 0.00 54.58 54.10 2d8i n ASN 73 Cb 0.56 -2.40 -0.14 0.00 1.24 0.00 0.00 39.78 39.04 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2d8i s ARG 74 N -5.50 0.21 -0.06 1.20 1.81 -1.02 -5.12 118.95 110.46 2d8i s ARG 74 Ca 0.23 -0.07 -0.30 0.00 -1.72 0.00 0.00 55.73 53.87 2d8i s ARG 74 Cb -0.10 -0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.14 2d8i s ARG 74 CO 0.30 0.04 1.30 0.00 -0.68 0.00 0.00 175.30 176.26 2d8i s ALA 75 N 0.04 3.56 0.29 2.13 0.00 -1.26 -1.22 121.76 125.31 2d8i s ALA 75 Ca -0.00 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.67 2d8i s ALA 75 Cb -0.02 -3.57 0.74 0.00 0.00 0.00 0.00 23.12 20.26 2d8i s ALA 75 CO -0.00 -0.93 1.69 0.00 0.00 0.00 0.00 175.76 176.52 2d8i h ALA 76 N 7.84 1.43 -0.80 0.00 0.00 -1.92 0.38 119.26 126.19 2d8i h ALA 76 Ca -0.34 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2d8i h ALA 76 Cb 1.15 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2d8i h ALA 76 CO 0.91 -0.36 0.52 0.22 0.00 0.00 0.00 179.25 180.54 2d8i h ASP 77 N 0.38 0.93 -0.19 0.00 3.58 -1.91 -2.06 116.42 117.15 2d8i h ASP 77 Ca 0.56 -0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.89 2d8i h ASP 77 Cb 1.08 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2d8i h ASP 77 CO -0.54 0.68 -0.18 0.00 -2.88 0.00 0.00 179.24 176.32 2d8i h ALA 78 N 1.48 1.07 -2.68 -0.78 0.00 -0.66 -3.43 119.26 114.27 2d8i h ALA 78 Ca 0.29 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 54.36 2d8i h ALA 78 Cb -0.11 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.55 2d8i h ALA 78 CO -0.06 0.57 0.53 -0.51 0.00 0.00 0.00 179.25 179.78 2d8i s LEU 79 N -8.84 4.47 0.35 0.00 1.43 -0.75 -5.04 118.68 110.30 2d8i s LEU 79 Ca -0.08 2.20 0.09 0.00 -1.03 0.00 0.00 54.13 55.32 2d8i s LEU 79 Cb 0.14 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 2d8i s LEU 79 CO 0.80 -0.31 -0.08 0.54 0.23 0.00 0.00 176.35 177.53 2d8i s ASN 80 N -0.04 3.72 0.19 2.29 2.20 -1.26 -4.90 114.94 117.15 2d8i s ASN 80 Ca 0.51 -1.22 -0.08 0.00 -0.94 0.00 0.00 52.86 51.13 2d8i s ASN 80 Cb -0.32 -0.35 0.28 0.00 -2.00 0.00 0.00 41.25 38.86 2d8i s ASN 80 CO 0.37 -0.24 1.14 -1.54 -2.94 0.00 0.00 177.10 173.89 2d8i n SER 81 N -0.81 -0.33 0.01 3.54 3.41 -1.26 -0.37 113.62 117.81 2d8i n SER 81 Ca -0.05 1.26 -0.01 0.00 -0.26 0.00 0.00 58.87 59.81 2d8i n SER 81 Cb 0.64 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.06 -0.56 4.04 0.87 -2.00 -1.77 113.55 114.06 2d8i h SER 82 Ca 0.32 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.97 2d8i h SER 82 Cb 0.50 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.38 2d8i h SER 82 CO -0.74 -0.03 -0.44 0.24 -0.53 0.00 0.00 176.83 175.32 2d8i h MET 83 N -0.05 -0.23 -0.91 2.24 2.86 -1.46 0.68 114.93 118.06 2d8i h MET 83 Ca -0.00 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.88 2d8i h MET 83 Cb 0.04 0.05 -0.16 0.00 0.06 0.00 0.00 31.60 31.59 2d8i h MET 83 CO -0.00 -0.15 0.01 -0.07 1.06 0.00 0.00 176.91 177.75 2d8i h LEU 84 N -0.24 -0.45 -0.18 1.22 3.38 -0.66 0.27 115.31 118.64 2d8i h LEU 84 Ca 0.17 0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.44 2d8i h LEU 84 Cb 0.56 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 2d8i h LEU 84 CO -0.68 -0.28 -0.13 0.50 0.09 0.00 0.00 178.44 177.94 2d8i h LYS 85 N 0.05 -0.13 0.02 1.13 3.64 0.06 -1.39 116.57 119.96 2d8i h LYS 85 Ca 0.52 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.93 2d8i h LYS 85 Cb 1.01 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2d8i h LYS 85 CO -0.83 -0.09 -0.09 0.22 -2.27 0.00 0.00 179.45 176.39 2d8i h ASP 86 N -0.13 -0.25 -0.68 4.20 3.58 -0.23 -1.94 116.42 120.97 2d8i h ASP 86 Ca 0.11 0.04 0.14 0.00 0.42 0.00 0.00 57.03 57.74 2d8i h ASP 86 Cb 0.30 0.10 -0.10 0.00 1.72 0.00 0.00 39.33 41.34 2d8i h ASP 86 CO -0.27 -0.13 0.11 -0.26 -2.88 0.00 0.00 179.24 175.81 2d8i h PHE 87 N -0.17 0.16 0.00 0.28 -1.00 -0.76 0.60 116.94 116.05 2d8i h PHE 87 Ca 0.03 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 2d8i h PHE 87 Cb 0.20 0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 2d8i h PHE 87 CO -0.14 -0.11 -0.03 -0.07 -1.61 0.00 0.00 178.31 176.36 2d8i h LEU 88 N 0.22 0.00 -0.09 1.54 3.38 -0.88 -1.77 115.31 117.71 2d8i h LEU 88 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2d8i h LEU 88 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2d8i h LEU 88 CO -0.50 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 176.51 2d8i n SER 89 N -3.17 0.14 -4.81 -0.43 3.41 0.21 -4.80 113.62 104.17 2d8i n SER 89 Ca -0.01 -1.85 -0.35 0.00 -0.26 0.00 0.00 58.87 56.41 2d8i n SER 89 Cb 0.23 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2d8i n SER 89 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2d8i s GLN 90 N -1.97 3.21 0.38 4.33 -1.52 -0.67 -5.01 119.66 118.42 2d8i s GLN 90 Ca 0.09 -0.35 0.17 0.00 -1.95 0.00 0.00 55.36 53.33 2d8i s GLN 90 Cb 0.04 -2.97 0.77 0.00 -0.22 0.00 0.00 33.01 30.63 2d8i s GLN 90 CO 0.07 0.70 1.80 -1.00 -0.25 0.00 0.00 175.29 176.60 2d8i h PRO 91 N 4.51 0.00 -4.58 2.91 0.13 -1.87 -3.42 132.00 129.68 2d8i h PRO 91 Ca -0.51 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 2d8i h PRO 91 Cb 1.20 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 2d8i h PRO 91 CO 0.61 0.36 -0.83 -1.54 -0.23 0.00 0.00 178.00 176.37 2d8i s SER 92 N -6.58 2.57 0.09 1.44 1.04 -1.26 -0.45 113.70 110.54 2d8i s SER 92 Ca -0.01 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.03 2d8i s SER 92 Cb 0.12 -1.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.11 2d8i s SER 92 CO 0.69 -0.06 -0.15 -0.76 0.98 0.00 0.00 173.24 173.94 2d8i s LEU 93 N 1.50 2.31 -0.17 2.42 1.43 -0.80 -5.01 118.68 120.37 2d8i s LEU 93 Ca 0.04 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2d8i s LEU 93 Cb -0.13 -0.58 0.03 0.00 0.03 0.00 0.00 46.19 45.55 2d8i s LEU 93 CO -0.10 -0.08 -0.10 -0.83 0.23 0.00 0.00 176.35 175.47 2d8i s GLY 94 N -1.95 1.14 0.13 -3.19 0.00 -1.26 -1.61 107.32 100.58 2d8i s GLY 94 Ca 0.02 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.80 2d8i s GLY 94 CO 0.03 0.69 0.02 1.08 0.00 0.00 0.00 173.10 174.92 2d8i s LEU 95 N 1.49 3.45 -0.33 0.66 1.43 -1.00 -0.05 118.68 124.32 2d8i s LEU 95 Ca 0.02 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2d8i s LEU 95 Cb -0.15 -2.14 0.10 0.00 0.03 0.00 0.00 46.19 44.04 2d8i s LEU 95 CO -0.09 0.13 0.07 -0.22 0.23 0.00 0.00 176.35 176.47 2d8i s LEU 96 N -2.65 3.90 0.25 1.79 2.96 -0.50 -1.26 118.68 123.16 2d8i s LEU 96 Ca 0.27 -2.01 0.09 0.00 -0.22 0.00 0.00 54.13 52.26 2d8i s LEU 96 Cb -0.11 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 2d8i s LEU 96 CO 0.19 -0.39 -0.01 0.68 -1.32 0.00 0.00 176.35 175.50 2d8i s VAL 97 N 1.11 3.47 0.15 1.68 -7.23 -0.56 -1.27 120.40 117.75 2d8i s VAL 97 Ca 0.11 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2d8i s VAL 97 Cb -0.19 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 2d8i s VAL 97 CO -0.14 -0.32 0.35 -0.60 -0.31 0.00 0.00 175.10 174.08 2d8i s ARG 98 N -3.51 3.54 0.25 4.82 3.52 -1.26 -0.60 118.95 125.71 2d8i s ARG 98 Ca 0.30 -0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 55.59 2d8i s ARG 98 Cb -0.07 -2.88 -0.02 0.00 -1.56 0.00 0.00 34.95 30.42 2d8i s ARG 98 CO 0.19 0.47 0.31 -0.08 -0.81 0.00 0.00 175.30 175.39 2d8i s THR 99 N -1.72 0.00 -0.07 4.11 -1.32 0.82 -4.90 115.64 112.57 2d8i s THR 99 Ca 0.39 -1.74 -0.11 0.00 -1.21 0.00 0.00 61.69 59.02 2d8i s THR 99 Cb -0.12 -2.42 -0.05 0.00 -1.51 0.00 0.00 72.50 68.40 2d8i s THR 99 CO 0.27 0.00 0.27 -0.31 -2.21 0.00 0.00 174.62 172.64 2d8i s TYR 100 N -3.89 3.65 0.54 9.09 2.02 -1.26 -0.64 117.35 126.86 2d8i s TYR 100 Ca 0.32 0.74 -0.20 0.00 -0.37 0.00 0.00 57.07 57.57 2d8i s TYR 100 Cb 0.03 -2.12 -0.06 0.00 -0.40 0.00 0.00 41.96 39.41 2d8i s TYR 100 CO 0.13 0.66 1.13 -1.25 -1.57 0.00 0.00 175.55 174.65 2d8i s PRO 101 N -0.94 3.37 -0.19 -1.71 0.04 -1.26 -4.90 135.00 129.40 2d8i s PRO 101 Ca 0.19 1.61 -0.33 0.00 0.04 0.00 0.00 61.00 62.51 2d8i s PRO 101 Cb -0.14 -2.01 0.14 0.00 0.04 0.00 0.00 34.50 32.53 2d8i s PRO 101 CO 0.08 -0.84 1.19 -2.00 0.04 0.00 0.00 177.00 175.47 2d8i s GLU 102 N -3.28 0.34 -0.23 4.56 2.56 -1.26 -5.03 118.70 116.36 2d8i s GLU 102 Ca 0.73 -0.06 -0.03 0.00 0.00 0.00 0.00 54.97 55.60 2d8i s GLU 102 Cb -0.24 0.16 -0.01 0.00 2.00 0.00 0.00 34.13 36.04 2d8i s GLU 102 CO 0.27 -0.13 2.73 -0.11 -0.56 0.00 0.00 175.26 177.46 2d8i n LEU 103 N 0.13 5.96 -2.89 2.70 7.94 -1.26 -4.47 117.00 125.12 2d8i n LEU 103 Ca -0.02 -3.40 -0.24 0.00 -1.11 0.00 0.00 56.01 51.23 2d8i n LEU 103 Cb 0.58 -1.23 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 2d8i n LEU 103 CO 0.10 1.50 0.07 1.21 -1.11 0.00 0.00 177.39 179.16 2d8i n GLU 104 N 1.30 2.74 -3.78 1.96 2.13 -1.26 -5.05 120.64 118.68 2d8i n GLU 104 Ca 0.36 -4.44 -0.01 0.00 0.66 0.00 0.00 57.16 53.72 2d8i n GLU 104 Cb 0.65 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.28 2d8i n GLU 104 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2d8i s GLU 105 N -3.28 0.95 0.00 5.31 -1.05 -1.26 -5.09 118.70 114.28 2d8i s GLU 105 Ca 0.46 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 2d8i s GLU 105 Cb 0.32 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2d8i s GLU 105 CO -0.13 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.05 2d8i n GLY 106 N -0.59 -0.10 3.00 -3.83 0.00 -1.26 -5.13 105.19 97.29 2d8i n GLY 106 Ca -0.05 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 2d8i n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8i s VAL 107 N 0.00 0.42 -0.50 1.61 0.11 -1.26 -5.11 120.40 115.67 2d8i s VAL 107 Ca 0.00 -0.68 -0.28 0.00 -2.93 0.00 0.00 61.98 58.09 2d8i s VAL 107 Cb 0.00 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2d8i s VAL 107 CO 0.00 -0.18 1.32 -0.70 -3.33 0.00 0.00 175.10 172.21 2d8i s GLU 108 N -0.92 3.52 0.09 1.54 -6.30 -1.26 -4.98 118.70 110.39 2d8i s GLU 108 Ca -0.05 0.61 -0.31 0.00 -2.50 0.00 0.00 54.97 52.72 2d8i s GLU 108 Cb -0.06 -4.03 -0.08 0.00 0.00 0.00 0.00 34.13 29.96 2d8i s GLU 108 CO 0.00 -1.65 1.55 -1.54 0.02 0.00 0.00 175.26 173.63 2d8i s SER 109 N 3.61 6.68 0.00 -1.70 1.04 -1.26 -4.98 113.70 117.09 2d8i s SER 109 Ca 0.53 2.43 0.00 0.00 0.48 0.00 0.00 55.95 59.39 2d8i s SER 109 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2d8i s SER 109 CO 0.29 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2d8i n GLY 110 N 3.79 0.85 3.63 7.32 0.00 -1.26 -4.94 105.19 114.58 2d8i n GLY 110 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 0.26 -0.61 -1.39 1.61 0.04 -1.26 -4.13 135.00 129.52 2d8i s PRO 111 Ca 0.00 0.15 -0.08 0.00 0.04 0.00 0.00 61.00 61.10 2d8i s PRO 111 Cb 0.00 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.90 2d8i s PRO 111 CO 0.00 -3.35 0.38 0.43 0.04 0.00 0.00 177.00 174.50 2d8i n SER 112 N -4.54 -1.17 -4.56 6.66 7.64 -1.26 -4.89 113.62 111.50 2d8i n SER 112 Ca 0.10 -1.14 -0.42 0.00 1.01 0.00 0.00 58.87 58.41 2d8i n SER 112 Cb 0.59 -2.40 -0.06 0.00 -1.01 0.00 0.00 64.21 61.32 2d8i n SER 112 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d8i s SER 113 N -4.13 6.42 0.00 6.43 1.04 -1.26 -5.15 113.70 117.06 2d8i s SER 113 Ca 0.14 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2d8i s SER 113 Cb -0.07 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2d8i s SER 113 CO 0.93 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 175.11