#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 3.59 0.03 1.61 0.15 -1.26 -5.08 113.70 112.74 2d8i s SER 2 Ca 0.00 -1.18 -0.02 0.00 0.70 0.00 0.00 55.95 55.45 2d8i s SER 2 Cb 0.00 -0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 63.98 2d8i s SER 2 CO 0.00 -0.20 -0.04 -1.20 1.20 0.00 0.00 173.24 173.00 2d8i n SER 3 N -0.75 0.79 0.00 5.45 7.64 -1.26 -5.14 113.62 120.34 2d8i n SER 3 Ca -0.05 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2d8i n SER 3 Cb 0.63 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2d8i n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8i n GLY 4 N 3.09 0.71 3.95 0.23 0.00 -1.26 -5.10 105.19 106.80 2d8i n GLY 4 Ca -0.03 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 2d8i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8i s SER 5 N -4.00 5.01 0.03 1.61 0.01 -1.26 -5.06 113.70 110.04 2d8i s SER 5 Ca 0.00 0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.48 2d8i s SER 5 Cb 0.00 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.22 2d8i s SER 5 CO 0.00 -1.41 -0.07 -0.24 0.41 0.00 0.00 173.24 171.93 2d8i n SER 6 N -2.68 1.13 0.00 2.44 2.88 -1.26 -5.16 113.62 110.97 2d8i n SER 6 Ca 0.08 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2d8i n SER 6 Cb 0.60 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2d8i n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8i n GLY 7 N 3.04 -0.63 3.55 0.46 0.00 -1.26 -4.87 105.19 105.48 2d8i n GLY 7 Ca -0.03 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.98 0.43 0.73 1.61 -1.05 -1.26 -5.16 118.70 112.02 2d8i s GLU 8 Ca 0.00 0.95 -0.13 0.00 -0.15 0.00 0.00 54.97 55.64 2d8i s GLU 8 Cb 0.00 0.42 0.04 0.00 -0.44 0.00 0.00 34.13 34.15 2d8i s GLU 8 CO 0.00 -0.13 1.13 0.96 0.95 0.00 0.00 175.26 178.17 2d8i s ILE 9 N 2.19 2.95 -0.07 1.83 -4.36 -1.26 -5.04 121.20 117.44 2d8i s ILE 9 Ca -0.06 0.40 0.01 0.00 -0.26 0.00 0.00 60.65 60.74 2d8i s ILE 9 Cb -0.07 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.75 2d8i s ILE 9 CO -0.18 -0.32 -0.07 -0.70 0.24 0.00 0.00 174.94 173.92 2d8i s GLU 10 N -4.32 2.78 0.23 0.37 2.56 -1.26 -5.02 118.70 114.04 2d8i s GLU 10 Ca 0.67 -0.54 -0.06 0.00 0.00 0.00 0.00 54.97 55.04 2d8i s GLU 10 Cb -0.22 -2.60 0.41 0.00 2.00 0.00 0.00 34.13 33.72 2d8i s GLU 10 CO 0.48 0.65 1.72 0.82 -0.56 0.00 0.00 175.26 178.37 2d8i h ILE 11 N 4.27 0.65 -3.11 -3.70 1.08 -2.10 -3.42 117.51 111.17 2d8i h ILE 11 Ca -0.48 -0.13 -0.58 0.00 -0.39 0.00 0.00 64.86 63.28 2d8i h ILE 11 Cb 1.17 0.23 0.17 0.00 -3.07 0.00 0.00 36.82 35.32 2d8i h ILE 11 CO 0.53 0.07 -0.24 0.00 -0.69 0.00 0.00 178.15 177.81 2d8i n PRO 13 N -0.30 -2.96 -4.11 0.00 -0.04 -1.26 -5.05 135.00 121.28 2d8i n PRO 13 Ca 0.12 -1.57 -0.11 0.00 -0.04 0.00 0.00 63.50 61.90 2d8i n PRO 13 Cb 0.47 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 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 -5.23 1.39 0.21 0.54 1.02 -1.26 -4.56 119.74 111.86 2d8i s LYS 14 Ca 0.64 -1.48 -0.00 0.00 0.02 0.00 0.00 55.97 55.15 2d8i s LYS 14 Cb -0.06 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.57 2d8i s LYS 14 CO 0.49 -0.52 0.11 0.14 -0.92 0.00 0.00 175.35 174.65 2d8i s VAL 15 N -4.05 0.22 0.03 3.17 -7.23 0.48 -4.89 120.40 108.13 2d8i s VAL 15 Ca 0.32 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 58.21 2d8i s VAL 15 Cb 0.03 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2d8i s VAL 15 CO 0.11 -0.05 0.90 0.42 -0.31 0.00 0.00 175.10 176.17 2d8i s THR 16 N -4.00 4.77 -0.04 5.32 -4.23 -1.26 0.10 115.64 116.29 2d8i s THR 16 Ca 0.37 1.90 0.03 0.00 -1.18 0.00 0.00 61.69 62.81 2d8i s THR 16 Cb 0.07 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.67 2d8i s THR 16 CO 0.12 0.25 -0.12 -1.58 -0.54 0.00 0.00 174.62 172.75 2d8i s GLN 17 N 0.50 1.44 -0.26 3.99 0.74 0.20 -4.89 119.66 121.38 2d8i s GLN 17 Ca 0.46 -0.43 -0.17 0.00 0.05 0.00 0.00 55.36 55.28 2d8i s GLN 17 Cb -0.21 -1.25 -0.03 0.00 1.10 0.00 0.00 33.01 32.61 2d8i s GLN 17 CO 0.26 0.12 0.45 0.45 -0.55 0.00 0.00 175.29 176.02 2d8i s SER 18 N 0.31 6.36 -0.40 6.67 0.15 -1.26 -2.47 113.70 123.05 2d8i s SER 18 Ca -0.07 0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.94 2d8i s SER 18 Cb -0.12 -2.25 0.09 0.00 -1.71 0.00 0.00 66.02 62.03 2d8i s SER 18 CO 0.02 -0.23 0.21 -0.63 1.20 0.00 0.00 173.24 173.81 2d8i s ILE 19 N 2.15 3.79 -0.49 6.45 1.09 -0.69 -5.01 121.20 128.49 2d8i s ILE 19 Ca 0.18 -1.60 -0.17 0.00 -1.10 0.00 0.00 60.65 57.97 2d8i s ILE 19 Cb -0.16 -3.39 0.07 0.00 -1.06 0.00 0.00 42.46 37.93 2d8i s ILE 19 CO 0.09 -0.52 0.47 -1.38 -0.10 0.00 0.00 174.94 173.51 2d8i s HIS 20 N 1.32 3.19 0.12 3.97 -3.43 -1.26 -1.97 115.29 117.22 2d8i s HIS 20 Ca 0.03 -0.84 -0.04 0.00 -0.80 0.00 0.00 55.06 53.41 2d8i s HIS 20 Cb -0.23 -3.32 -0.05 0.00 -1.43 0.00 0.00 32.58 27.55 2d8i s HIS 20 CO -0.00 -0.89 0.33 0.42 -2.00 0.00 0.00 174.74 172.61 2d8i s ILE 21 N 1.93 5.22 -0.10 -5.38 1.01 -0.23 -4.95 121.20 118.71 2d8i s ILE 21 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 2d8i s ILE 21 Cb -0.23 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.66 2d8i s ILE 21 CO 0.08 0.08 0.24 -1.61 0.00 0.00 0.00 174.94 173.72 2d8i s GLU 22 N -2.58 0.21 -0.14 2.79 2.02 -1.25 -1.20 118.70 118.56 2d8i s GLU 22 Ca 0.39 0.47 0.02 0.00 0.02 0.00 0.00 54.97 55.87 2d8i s GLU 22 Cb -0.12 -0.07 0.01 0.00 0.10 0.00 0.00 34.13 34.05 2d8i s GLU 22 CO 0.25 -0.13 -0.19 0.15 0.02 0.00 0.00 175.26 175.35 2d8i s LYS 23 N 1.01 2.75 -0.01 1.61 1.02 0.22 -4.96 119.74 121.37 2d8i s LYS 23 Ca -0.07 -0.75 -0.00 0.00 0.02 0.00 0.00 55.97 55.16 2d8i s LYS 23 Cb -0.09 -2.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.93 2d8i s LYS 23 CO -0.06 -0.07 -0.01 0.77 -0.92 0.00 0.00 175.35 175.05 2d8i h SER 24 N 7.50 0.00 -0.96 2.83 0.02 -1.97 -3.39 113.55 117.57 2d8i h SER 24 Ca -0.35 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.80 2d8i h SER 24 Cb 1.17 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.53 2d8i h SER 24 CO 0.55 0.04 -0.22 -0.67 -1.14 0.00 0.00 176.83 175.39 2d8i n ASP 25 N -2.32 -0.33 -3.47 3.07 2.03 -1.26 -4.73 116.55 109.54 2d8i n ASP 25 Ca -0.00 1.65 -0.23 0.00 0.52 0.00 0.00 54.79 56.73 2d8i n ASP 25 Cb 0.01 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.88 2d8i n ASP 25 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2d8i n THR 26 N -5.56 -0.44 0.00 5.18 -2.24 -1.26 -4.66 114.28 105.30 2d8i n THR 26 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2d8i n THR 26 Cb 0.50 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 2d8i n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8i n ALA 27 N -3.39 2.53 -0.01 6.98 0.00 -1.26 -4.93 120.51 120.44 2d8i n ALA 27 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 2d8i n ALA 27 Cb 0.50 0.19 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.31 1.99 -2.69 0.00 0.00 -1.26 -5.00 120.51 111.25 2d8i n ALA 28 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2d8i n ALA 28 Cb 0.19 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.97 7.20 0.04 0.00 1.11 -1.26 -5.04 116.67 115.75 2d8i s ASP 29 Ca -0.01 1.48 0.06 0.00 0.18 0.00 0.00 52.55 54.26 2d8i s ASP 29 Cb 0.01 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 2d8i s ASP 29 CO 0.10 -0.44 -0.17 0.42 1.18 0.00 0.00 175.17 176.26 2d8i s THR 30 N 2.04 1.39 0.61 -1.27 -4.23 -1.26 -4.59 115.64 108.33 2d8i s THR 30 Ca 0.47 -1.10 0.30 0.00 -1.18 0.00 0.00 61.69 60.18 2d8i s THR 30 Cb -0.18 -1.23 0.36 0.00 1.34 0.00 0.00 72.50 72.79 2d8i s THR 30 CO 0.17 0.11 2.00 1.88 -0.54 0.00 0.00 174.62 178.24 2d8i h TYR 31 N 4.90 0.00 -1.51 3.99 0.05 -1.96 -3.44 116.97 119.00 2d8i h TYR 31 Ca -0.40 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.20 2d8i h TYR 31 Cb 1.17 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.84 2d8i h TYR 31 CO 0.52 0.00 -0.16 0.41 -1.05 0.00 0.00 178.16 177.87 2d8i n GLY 32 N -1.37 0.84 3.33 3.88 0.00 -1.26 -3.68 105.19 106.93 2d8i n GLY 32 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.73 2.36 0.42 1.61 -0.71 -1.26 -2.99 117.98 115.68 2d8i s PHE 33 Ca 0.00 -0.41 0.06 0.00 -1.04 0.00 0.00 56.93 55.54 2d8i s PHE 33 Cb 0.00 -1.49 -0.07 0.00 -1.21 0.00 0.00 43.02 40.25 2d8i s PHE 33 CO 0.00 0.01 0.03 -1.54 -1.34 0.00 0.00 175.22 172.38 2d8i s SER 34 N -0.73 3.97 -0.04 1.98 1.04 -1.07 -5.00 113.70 113.86 2d8i s SER 34 Ca 0.10 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2d8i s SER 34 Cb -0.10 -0.31 0.02 0.00 0.10 0.00 0.00 66.02 65.74 2d8i s SER 34 CO -0.00 -0.51 -0.02 -0.76 0.98 0.00 0.00 173.24 172.93 2d8i s LEU 35 N -3.75 1.17 -0.11 2.42 1.43 -1.26 -2.71 118.68 115.87 2d8i s LEU 35 Ca 0.33 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 2d8i s LEU 35 Cb 0.08 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 2d8i s LEU 35 CO 0.17 -0.09 0.09 -0.55 0.23 0.00 0.00 176.35 176.20 2d8i s SER 36 N 1.07 5.95 -0.16 2.29 0.15 0.55 -4.87 113.70 118.68 2d8i s SER 36 Ca -0.09 0.34 -0.09 0.00 0.70 0.00 0.00 55.95 56.81 2d8i s SER 36 Cb -0.14 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.28 2d8i s SER 36 CO -0.01 0.39 0.15 -0.94 1.20 0.00 0.00 173.24 174.04 2d8i s SER 37 N -0.95 6.31 -0.07 5.45 1.04 -1.26 -0.46 113.70 123.76 2d8i s SER 37 Ca 0.14 0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.91 2d8i s SER 37 Cb -0.12 -2.10 0.03 0.00 0.10 0.00 0.00 66.02 63.94 2d8i s SER 37 CO 0.03 0.26 0.04 -0.69 0.98 0.00 0.00 173.24 173.86 2d8i s VAL 38 N -0.14 0.09 -0.25 5.02 1.01 -0.26 -5.00 120.40 120.87 2d8i s VAL 38 Ca 0.12 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 2d8i s VAL 38 Cb -0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2d8i s VAL 38 CO 0.01 0.15 0.45 -0.70 0.00 0.00 0.00 175.10 175.01 2d8i s GLU 39 N 2.09 4.08 -0.16 2.72 2.12 -1.26 -1.55 118.70 126.74 2d8i s GLU 39 Ca 0.04 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.59 2d8i s GLU 39 Cb -0.13 -3.62 0.03 0.00 0.26 0.00 0.00 34.13 30.67 2d8i s GLU 39 CO -0.05 -0.25 -0.10 -1.21 -0.54 0.00 0.00 175.26 173.11 2d8i s GLU 40 N 1.99 1.94 -1.26 4.30 2.02 0.40 -4.76 118.70 123.33 2d8i s GLU 40 Ca 0.19 -0.56 -0.08 0.00 0.02 0.00 0.00 54.97 54.54 2d8i s GLU 40 Cb -0.15 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.07 2d8i s GLU 40 CO 0.09 -0.32 0.43 -0.25 0.02 0.00 0.00 175.26 175.23 2d8i n ASP 41 N 4.80 -3.89 0.00 -0.19 8.00 -1.26 0.56 116.55 124.57 2d8i n ASP 41 Ca -0.15 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.05 2d8i n ASP 41 Cb 0.49 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 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 -1.15 3.11 3.57 0.44 0.00 -1.26 -5.00 105.19 104.90 2d8i n GLY 42 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.14 4.24 -0.17 -0.61 1.01 0.19 -5.01 121.20 118.71 2d8i s ILE 43 Ca 0.00 0.88 -0.18 0.00 0.00 0.00 0.00 60.65 61.35 2d8i s ILE 43 Cb 0.00 -4.59 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 2d8i s ILE 43 CO 0.00 -1.08 0.49 -0.60 0.00 0.00 0.00 174.94 173.76 2d8i s ARG 44 N 4.35 4.25 0.21 2.79 3.52 -1.26 -0.46 118.95 132.35 2d8i s ARG 44 Ca 0.41 0.41 0.04 0.00 -0.13 0.00 0.00 55.73 56.46 2d8i s ARG 44 Cb -0.09 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 2d8i s ARG 44 CO 0.27 -0.02 -0.03 1.03 -0.81 0.00 0.00 175.30 175.74 2d8i s ARG 45 N 1.23 1.27 0.11 5.12 0.52 -0.59 -4.24 118.95 122.37 2d8i s ARG 45 Ca 0.24 -1.62 0.07 0.00 -0.52 0.00 0.00 55.73 53.90 2d8i s ARG 45 Cb -0.15 -0.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.66 2d8i s ARG 45 CO 0.10 -0.06 -0.09 -0.51 0.02 0.00 0.00 175.30 174.76 2d8i s LEU 46 N -3.27 3.06 -0.08 2.53 2.01 -1.26 -1.10 118.68 120.56 2d8i s LEU 46 Ca 0.26 -0.40 -0.03 0.00 0.01 0.00 0.00 54.13 53.96 2d8i s LEU 46 Cb 0.05 -1.83 0.04 0.00 0.01 0.00 0.00 46.19 44.46 2d8i s LEU 46 CO 0.07 0.17 0.17 -0.31 1.01 0.00 0.00 176.35 177.45 2d8i s TYR 47 N -1.29 -0.20 0.08 0.29 2.02 0.39 -2.56 117.35 116.09 2d8i s TYR 47 Ca 0.22 0.60 -0.31 0.00 -0.37 0.00 0.00 57.07 57.21 2d8i s TYR 47 Cb -0.11 -0.15 -0.09 0.00 -0.40 0.00 0.00 41.96 41.21 2d8i s TYR 47 CO 0.14 -0.23 1.73 0.08 -1.57 0.00 0.00 175.55 175.70 2d8i s VAL 48 N 1.78 2.89 -0.13 0.71 1.01 -0.26 -0.33 120.40 126.07 2d8i s VAL 48 Ca -0.03 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 2d8i s VAL 48 Cb -0.12 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2d8i s VAL 48 CO -0.06 -0.00 -0.03 -1.13 0.00 0.00 0.00 175.10 173.88 2d8i h ASN 49 N 8.59 0.00 -3.55 3.32 -1.24 -1.86 0.26 115.58 121.10 2d8i h ASN 49 Ca -0.44 -0.10 -0.44 0.00 0.71 0.00 0.00 56.30 56.02 2d8i h ASN 49 Cb 1.21 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 40.10 2d8i h ASN 49 CO 0.94 0.75 -0.75 -0.94 -1.29 0.00 0.00 177.43 176.14 2d8i s SER 50 N -5.81 2.38 -0.06 1.15 1.04 -1.26 -4.50 113.70 106.64 2d8i s SER 50 Ca -0.11 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.33 2d8i s SER 50 Cb 0.01 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.05 2d8i s SER 50 CO 0.21 -0.15 0.15 -0.69 0.98 0.00 0.00 173.24 173.74 2d8i s VAL 51 N -2.64 -0.02 -0.19 5.02 1.01 -1.25 -2.58 120.40 119.75 2d8i s VAL 51 Ca 0.17 0.06 -0.34 0.00 0.00 0.00 0.00 61.98 61.88 2d8i s VAL 51 Cb -0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 36.38 36.02 2d8i s VAL 51 CO 0.05 0.03 2.02 2.29 0.00 0.00 0.00 175.10 179.49 2d8i n LYS 52 N 3.43 1.79 0.00 2.72 2.85 -1.16 -4.89 118.16 122.90 2d8i n LYS 52 Ca -0.17 0.59 0.00 0.00 -1.05 0.00 0.00 58.31 57.68 2d8i n LYS 52 Cb 0.56 -2.68 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 2d8i n LYS 52 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2d8i n GLU 53 N 7.41 0.00 -2.46 -1.58 4.07 -1.26 -3.13 120.64 123.69 2d8i n GLU 53 Ca 0.29 0.61 -0.42 0.00 -0.06 0.00 0.00 57.16 57.58 2d8i n GLU 53 Cb 0.30 -1.32 0.01 0.00 -0.06 0.00 0.00 31.44 30.36 2d8i n GLU 53 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2d8i n THR 54 N -1.94 4.68 -2.51 6.31 5.66 -1.26 -4.68 114.28 120.55 2d8i n THR 54 Ca 0.00 -4.78 0.00 0.00 -3.05 0.00 0.00 64.05 56.22 2d8i n THR 54 Cb 0.00 -2.25 0.00 0.00 -1.55 0.00 0.00 70.33 66.53 2d8i n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2d8i n GLY 55 N 2.31 5.50 0.00 1.09 0.00 -1.18 -5.10 105.19 107.81 2d8i n GLY 55 Ca 0.38 -1.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 2d8i n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d8i h LEU 56 N 0.00 0.00 -0.72 0.99 3.38 -1.91 -3.31 115.31 113.75 2d8i h LEU 56 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 2d8i h LEU 56 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 2d8i h LEU 56 CO 0.00 0.02 0.12 0.00 0.09 0.00 0.00 178.44 178.67 2d8i n ALA 57 N -2.28 0.47 -0.03 1.53 0.00 -1.26 -0.27 120.51 118.66 2d8i n ALA 57 Ca -0.00 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.20 2d8i n ALA 57 Cb 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2d8i n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2d8i n SER 58 N -4.88 0.00 -0.30 0.00 3.41 -1.26 -0.96 113.62 109.63 2d8i n SER 58 Ca 0.20 0.98 0.12 0.00 -0.26 0.00 0.00 58.87 59.91 2d8i n SER 58 Cb 0.66 -0.48 0.29 0.00 -0.26 0.00 0.00 64.21 64.41 2d8i n SER 58 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2d8i h LYS 59 N 0.00 0.33 -0.10 4.33 2.10 -1.10 -1.45 116.57 120.67 2d8i h LYS 59 Ca 0.00 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.66 2d8i h LYS 59 Cb 0.00 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 31.19 2d8i h LYS 59 CO 0.00 0.22 -0.50 0.87 -2.00 0.00 0.00 179.45 178.04 2d8i h LYS 60 N 0.34 -0.55 0.00 0.07 1.79 -0.57 -3.46 116.57 114.19 2d8i h LYS 60 Ca 0.54 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 2d8i h LYS 60 Cb 1.03 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2d8i h LYS 60 CO -0.55 -0.37 0.00 0.41 -1.08 0.00 0.00 179.45 177.86 2d8i n GLY 61 N -1.44 0.04 3.71 3.86 0.00 -0.55 -5.06 105.19 105.76 2d8i n GLY 61 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 5.57 -3.58 0.99 4.77 -0.14 -4.97 117.00 119.64 2d8i n LEU 62 Ca 0.00 0.80 -0.14 0.00 -0.03 0.00 0.00 56.01 56.64 2d8i n LEU 62 Cb 0.00 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 39.50 2d8i n LEU 62 CO 0.00 -1.19 0.58 -0.75 -1.33 0.00 0.00 177.39 174.69 2d8i s LYS 63 N -3.38 0.79 -0.83 3.23 2.36 -1.26 -4.25 119.74 116.39 2d8i s LYS 63 Ca 0.81 0.45 -0.25 0.00 -2.55 0.00 0.00 55.97 54.43 2d8i s LYS 63 Cb -0.37 0.38 -0.19 0.00 -1.05 0.00 0.00 37.83 36.59 2d8i s LYS 63 CO 0.42 -0.20 2.47 0.00 1.55 0.00 0.00 175.35 179.60 2d8i n ALA 64 N 1.47 0.60 0.00 3.13 0.00 -1.26 -0.60 120.51 123.85 2d8i n ALA 64 Ca -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2d8i n ALA 64 Cb 0.57 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 6.21 1.73 3.73 0.00 0.00 0.90 -4.87 105.19 112.89 2d8i n GLY 65 Ca 0.56 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 2d8i n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d8i n ASP 66 N 0.00 3.50 -4.87 1.61 9.92 0.24 -4.53 116.55 122.41 2d8i n ASP 66 Ca 0.00 1.17 -0.37 0.00 -0.53 0.00 0.00 54.79 55.07 2d8i n ASP 66 Cb 0.00 -1.56 -0.06 0.00 -0.64 0.00 0.00 41.12 38.87 2d8i n ASP 66 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2d8i s GLU 67 N -1.07 3.54 -0.44 -1.24 1.03 -1.26 -1.10 118.70 118.16 2d8i s GLU 67 Ca 0.61 -0.03 -0.19 0.00 0.03 0.00 0.00 54.97 55.38 2d8i s GLU 67 Cb -0.53 -3.18 0.03 0.00 -0.80 0.00 0.00 34.13 29.64 2d8i s GLU 67 CO 0.54 0.75 0.57 0.42 -1.33 0.00 0.00 175.26 176.21 2d8i s ILE 68 N -1.07 4.93 0.02 1.83 1.09 -1.06 -4.03 121.20 122.91 2d8i s ILE 68 Ca 0.18 -0.13 0.11 0.00 -1.10 0.00 0.00 60.65 59.71 2d8i s ILE 68 Cb -0.13 -4.16 -0.06 0.00 -1.06 0.00 0.00 42.46 37.05 2d8i s ILE 68 CO 0.07 -0.56 1.41 -0.07 -0.10 0.00 0.00 174.94 175.69 2d8i h LEU 69 N 9.46 0.00 -7.00 2.97 3.38 -1.01 -3.39 115.31 119.72 2d8i h LEU 69 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2d8i h LEU 69 Cb 1.10 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.69 2d8i h LEU 69 CO 0.87 0.72 0.22 -1.61 0.09 0.00 0.00 178.44 178.73 2d8i s GLU 70 N -2.94 1.13 -0.26 1.13 2.02 -1.25 -4.26 118.70 114.27 2d8i s GLU 70 Ca 0.02 -0.09 -0.02 0.00 0.02 0.00 0.00 54.97 54.90 2d8i s GLU 70 Cb 0.09 0.53 0.09 0.00 0.10 0.00 0.00 34.13 34.94 2d8i s GLU 70 CO 0.77 -0.43 0.09 0.42 0.02 0.00 0.00 175.26 176.13 2d8i s ILE 71 N -2.40 0.50 -1.22 -1.63 1.01 -0.03 -2.17 121.20 115.25 2d8i s ILE 71 Ca -0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2d8i s ILE 71 Cb -0.00 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.21 2d8i s ILE 71 CO -0.01 -0.53 1.03 0.59 0.00 0.00 0.00 174.94 176.02 2d8i n ASN 72 N 5.03 -3.06 -3.05 3.58 3.02 -0.36 -2.51 115.26 117.90 2d8i n ASN 72 Ca -0.05 -0.59 -0.19 0.00 -0.03 0.00 0.00 54.58 53.71 2d8i n ASN 72 Cb 0.44 -5.05 0.07 0.00 -0.61 0.00 0.00 39.78 34.62 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 -3.07 -5.24 -3.88 6.41 5.15 -1.26 -5.02 115.26 108.36 2d8i n ASN 73 Ca -0.22 -0.45 -0.11 0.00 -0.60 0.00 0.00 54.58 53.20 2d8i n ASN 73 Cb 0.64 -4.25 -0.12 0.00 -0.53 0.00 0.00 39.78 35.52 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2d8i s ARG 74 N -5.98 0.18 -0.12 1.20 1.81 -1.04 -5.12 118.95 109.87 2d8i s ARG 74 Ca 0.43 -0.11 -0.29 0.00 -1.72 0.00 0.00 55.73 54.04 2d8i s ARG 74 Cb -0.19 0.08 -0.03 0.00 -0.45 0.00 0.00 34.95 34.36 2d8i s ARG 74 CO 0.60 -0.03 1.36 0.00 -0.68 0.00 0.00 175.30 176.55 2d8i s ALA 75 N -0.45 3.64 0.18 2.13 0.00 -1.26 -0.86 121.76 125.14 2d8i s ALA 75 Ca -0.05 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.27 2d8i s ALA 75 Cb -0.03 -3.64 0.06 0.00 0.00 0.00 0.00 23.12 19.51 2d8i s ALA 75 CO 0.00 -1.18 1.56 0.00 0.00 0.00 0.00 175.76 176.14 2d8i h ALA 76 N 8.44 -0.25 -1.00 0.00 0.00 -1.85 0.42 119.26 125.02 2d8i h ALA 76 Ca -0.31 0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.94 2d8i h ALA 76 Cb 1.13 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.82 2d8i h ALA 76 CO 0.96 -0.80 0.61 0.38 0.00 0.00 0.00 179.25 180.40 2d8i h ASP 77 N -0.16 0.73 0.04 0.00 3.04 -1.92 0.30 116.42 118.45 2d8i h ASP 77 Ca 0.21 0.09 -0.05 0.00 -3.24 0.00 0.00 57.03 54.04 2d8i h ASP 77 Cb 0.55 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 38.79 2d8i h ASP 77 CO -0.77 0.25 -0.14 0.00 -2.04 0.00 0.00 179.24 176.54 2d8i h ALA 78 N 1.64 1.50 -2.48 4.15 0.00 -0.58 -3.41 119.26 120.08 2d8i h ALA 78 Ca 0.57 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.71 2d8i h ALA 78 Cb 0.97 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2d8i h ALA 78 CO -0.36 0.36 0.30 -0.51 0.00 0.00 0.00 179.25 179.04 2d8i s LEU 79 N -8.74 4.29 0.49 0.00 1.43 0.11 -5.02 118.68 111.24 2d8i s LEU 79 Ca -0.05 1.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.45 2d8i s LEU 79 Cb 0.15 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 2d8i s LEU 79 CO 0.73 -0.27 0.13 0.54 0.23 0.00 0.00 176.35 177.71 2d8i s ASN 80 N 0.98 4.27 0.23 2.29 2.20 -1.26 -4.80 114.94 118.85 2d8i s ASN 80 Ca 0.43 -1.44 0.03 0.00 -0.94 0.00 0.00 52.86 50.94 2d8i s ASN 80 Cb -0.18 0.25 0.58 0.00 -2.00 0.00 0.00 41.25 39.90 2d8i s ASN 80 CO 0.20 -0.83 1.12 -0.24 -2.94 0.00 0.00 177.10 174.41 2d8i n SER 81 N -1.35 -0.05 0.00 3.54 2.88 -1.26 -0.13 113.62 117.25 2d8i n SER 81 Ca -0.11 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2d8i n SER 81 Cb 0.66 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2d8i n SER 81 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d8i n SER 82 N -4.94 0.00 0.06 -3.46 2.88 -1.26 -0.72 113.62 106.19 2d8i n SER 82 Ca 0.18 0.99 -0.12 0.00 -1.33 0.00 0.00 58.87 58.59 2d8i n SER 82 Cb 0.58 -0.49 -0.05 0.00 -0.75 0.00 0.00 64.21 63.50 2d8i n SER 82 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2d8i h MET 83 N 0.00 -0.44 -0.88 -1.46 2.86 -1.30 -1.76 114.93 111.95 2d8i h MET 83 Ca 0.00 0.03 0.24 0.00 -2.06 0.00 0.00 59.70 57.91 2d8i h MET 83 Cb 0.00 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 31.61 2d8i h MET 83 CO 0.00 -0.29 0.20 -0.07 1.06 0.00 0.00 176.91 177.81 2d8i h LEU 84 N -0.45 -0.07 -0.48 1.22 3.38 -0.54 0.35 115.31 118.71 2d8i h LEU 84 Ca 0.06 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2d8i h LEU 84 Cb 0.54 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2d8i h LEU 84 CO -0.25 -0.19 0.32 0.50 0.09 0.00 0.00 178.44 178.91 2d8i h LYS 85 N 0.17 0.63 0.63 1.13 3.11 -0.05 -1.02 116.57 121.16 2d8i h LYS 85 Ca 0.55 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.33 2d8i h LYS 85 Cb 1.13 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 32.22 2d8i h LYS 85 CO -0.69 0.42 -0.30 0.22 -2.81 0.00 0.00 179.45 176.29 2d8i h ASP 86 N 0.65 -0.71 -0.63 4.20 3.58 0.10 -1.64 116.42 121.97 2d8i h ASP 86 Ca 0.18 -0.01 0.13 0.00 0.42 0.00 0.00 57.03 57.75 2d8i h ASP 86 Cb -0.07 0.18 -0.10 0.00 1.72 0.00 0.00 39.33 41.07 2d8i h ASP 86 CO -0.04 -0.44 0.08 -0.26 -2.88 0.00 0.00 179.24 175.70 2d8i h PHE 87 N -0.94 0.12 0.00 0.28 0.04 -0.95 0.55 116.94 116.03 2d8i h PHE 87 Ca -0.09 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2d8i h PHE 87 Cb 0.68 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.87 2d8i h PHE 87 CO -0.01 -0.09 0.00 -0.07 -0.60 0.00 0.00 178.31 177.53 2d8i h LEU 88 N 0.20 0.00 -3.51 1.54 3.38 -1.09 -2.36 115.31 113.47 2d8i h LEU 88 Ca 0.33 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.90 2d8i h LEU 88 Cb 0.53 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.06 2d8i h LEU 88 CO -0.47 0.00 0.51 -0.24 0.09 0.00 0.00 178.44 178.34 2d8i n SER 89 N -2.89 4.40 -4.25 -0.43 2.88 0.19 -4.90 113.62 108.62 2d8i n SER 89 Ca -0.01 -3.22 -0.22 0.00 -1.33 0.00 0.00 58.87 54.10 2d8i n SER 89 Cb 0.19 -0.81 -0.12 0.00 -0.75 0.00 0.00 64.21 62.71 2d8i n SER 89 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2d8i s GLN 90 N -2.47 1.04 0.18 -1.46 -1.52 -0.89 -5.01 119.66 109.54 2d8i s GLN 90 Ca 0.42 -1.13 -0.06 0.00 -1.95 0.00 0.00 55.36 52.64 2d8i s GLN 90 Cb 0.35 -1.18 0.09 0.00 -0.22 0.00 0.00 33.01 32.05 2d8i s GLN 90 CO 0.06 0.26 1.53 -1.00 -0.25 0.00 0.00 175.29 175.90 2d8i h PRO 91 N 4.01 0.74 -5.78 2.91 0.13 -1.88 -3.44 132.00 128.70 2d8i h PRO 91 Ca -0.44 -0.39 -0.68 0.00 -0.87 0.00 0.00 66.00 63.63 2d8i h PRO 91 Cb 1.19 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2d8i h PRO 91 CO 0.42 1.01 -0.80 -1.54 -0.23 0.00 0.00 178.00 176.86 2d8i s SER 92 N -6.85 3.78 -0.00 1.44 1.04 -1.26 0.69 113.70 112.54 2d8i s SER 92 Ca -0.09 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 2d8i s SER 92 Cb 0.12 -1.21 -0.00 0.00 0.10 0.00 0.00 66.02 65.03 2d8i s SER 92 CO 0.85 0.24 0.00 -0.76 0.98 0.00 0.00 173.24 174.56 2d8i s LEU 93 N -0.10 1.99 -0.44 2.42 1.43 -0.34 -5.00 118.68 118.64 2d8i s LEU 93 Ca -0.03 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2d8i s LEU 93 Cb -0.14 0.03 0.12 0.00 0.03 0.00 0.00 46.19 46.23 2d8i s LEU 93 CO 0.04 -0.02 0.20 -0.83 0.23 0.00 0.00 176.35 175.97 2d8i s GLY 94 N -0.07 2.15 0.34 -3.19 0.00 -1.26 -1.06 107.32 104.22 2d8i s GLY 94 Ca -0.01 -2.81 0.00 0.00 0.00 0.00 0.00 44.72 41.91 2d8i s GLY 94 CO -0.00 1.00 0.54 1.08 0.00 0.00 0.00 173.10 175.72 2d8i s LEU 95 N 0.56 4.03 -0.32 0.66 1.43 -0.83 -1.23 118.68 122.98 2d8i s LEU 95 Ca 0.12 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2d8i s LEU 95 Cb -0.22 -3.30 0.10 0.00 0.03 0.00 0.00 46.19 42.80 2d8i s LEU 95 CO -0.05 -0.28 0.11 -0.22 0.23 0.00 0.00 176.35 176.14 2d8i s LEU 96 N -4.26 2.31 0.30 1.79 2.96 -0.92 -1.71 118.68 119.15 2d8i s LEU 96 Ca 0.40 -1.71 0.10 0.00 -0.22 0.00 0.00 54.13 52.69 2d8i s LEU 96 Cb -0.10 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 2d8i s LEU 96 CO 0.35 -0.41 -0.02 0.68 -1.32 0.00 0.00 176.35 175.64 2d8i s VAL 97 N 1.52 2.96 -0.21 1.68 -7.23 -1.03 -0.32 120.40 117.78 2d8i s VAL 97 Ca 0.10 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 2d8i s VAL 97 Cb -0.18 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 2d8i s VAL 97 CO -0.23 -0.30 0.18 -0.60 -0.31 0.00 0.00 175.10 173.84 2d8i s ARG 98 N -3.67 4.15 0.05 4.82 3.52 -1.26 -0.63 118.95 125.93 2d8i s ARG 98 Ca 0.33 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2d8i s ARG 98 Cb -0.04 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2d8i s ARG 98 CO 0.19 0.17 -0.05 -0.08 -0.81 0.00 0.00 175.30 174.73 2d8i s THR 99 N 0.71 0.32 0.25 4.11 -1.32 0.12 -4.83 115.64 114.99 2d8i s THR 99 Ca 0.10 -1.36 -0.30 0.00 -1.21 0.00 0.00 61.69 58.91 2d8i s THR 99 Cb -0.12 -0.91 -0.11 0.00 -1.51 0.00 0.00 72.50 69.85 2d8i s THR 99 CO 0.02 -0.68 1.54 -0.31 -2.21 0.00 0.00 174.62 172.98 2d8i s TYR 100 N -2.48 2.92 0.66 9.09 1.51 -1.26 -0.39 117.35 127.41 2d8i s TYR 100 Ca -0.04 0.82 -0.15 0.00 -1.01 0.00 0.00 57.07 56.69 2d8i s TYR 100 Cb -0.03 -3.95 0.00 0.00 -0.11 0.00 0.00 41.96 37.87 2d8i s TYR 100 CO -0.04 -3.25 1.11 -1.25 -1.11 0.00 0.00 175.55 171.01 2d8i s PRO 101 N -0.04 2.78 0.46 -1.71 0.04 -1.26 -4.86 135.00 130.41 2d8i s PRO 101 Ca 0.64 1.38 0.01 0.00 0.04 0.00 0.00 61.00 63.07 2d8i s PRO 101 Cb -0.45 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 2d8i s PRO 101 CO 0.42 -1.27 0.03 -0.85 0.04 0.00 0.00 177.00 175.38 2d8i n GLU 102 N -2.46 0.79 0.00 4.56 0.28 -1.26 -5.01 120.64 117.54 2d8i n GLU 102 Ca 0.10 -3.44 0.04 0.00 -0.16 0.00 0.00 57.16 53.71 2d8i n GLU 102 Cb 0.52 1.13 0.23 0.00 1.43 0.00 0.00 31.44 34.75 2d8i n GLU 102 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2d8i n LEU 103 N 0.00 0.00 -3.04 -1.84 7.94 -1.26 -3.81 117.00 114.99 2d8i n LEU 103 Ca -0.17 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.39 2d8i n LEU 103 Cb 0.60 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.56 2d8i n LEU 103 CO 0.32 0.00 0.95 1.21 -1.11 0.00 0.00 177.39 178.76 2d8i n GLU 104 N -0.65 3.77 -4.31 1.96 4.07 -1.26 -5.00 120.64 119.22 2d8i n GLU 104 Ca 0.06 -4.33 -0.20 0.00 -0.06 0.00 0.00 57.16 52.63 2d8i n GLU 104 Cb 0.03 -2.32 -0.11 0.00 -0.06 0.00 0.00 31.44 28.98 2d8i n GLU 104 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2d8i s GLU 105 N -3.92 1.22 0.00 5.31 -6.30 -1.25 -5.09 118.70 108.67 2d8i s GLU 105 Ca 0.47 -1.40 0.00 0.00 -2.50 0.00 0.00 54.97 51.54 2d8i s GLU 105 Cb 0.33 -1.18 0.00 0.00 0.00 0.00 0.00 34.13 33.28 2d8i s GLU 105 CO -0.23 0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2d8i n GLY 106 N 0.22 1.19 3.54 -1.50 0.00 -1.26 -5.14 105.19 102.24 2d8i n GLY 106 Ca -0.13 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 4.02 -0.27 1.61 1.01 -1.26 -5.09 120.40 120.42 2d8i s VAL 107 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2d8i s VAL 107 Cb 0.00 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.71 2d8i s VAL 107 CO 0.00 0.52 -0.01 -1.61 0.00 0.00 0.00 175.10 174.00 2d8i s GLU 108 N 0.08 1.44 0.24 2.72 2.02 -1.26 -5.10 118.70 118.83 2d8i s GLU 108 Ca 0.00 -1.19 -0.31 0.00 0.02 0.00 0.00 54.97 53.49 2d8i s GLU 108 Cb -0.13 -2.61 -0.13 0.00 0.10 0.00 0.00 34.13 31.36 2d8i s GLU 108 CO 0.02 -0.74 1.49 0.43 0.02 0.00 0.00 175.26 176.49 2d8i n SER 109 N 4.62 3.10 -0.91 -0.19 7.64 -1.26 -4.64 113.62 121.98 2d8i n SER 109 Ca -0.07 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2d8i n SER 109 Cb 0.43 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2d8i n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8i n GLY 110 N 2.45 -3.69 3.66 0.23 0.00 -1.26 -4.97 105.19 101.60 2d8i n GLY 110 Ca 0.12 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.75 0.06 0.33 1.61 0.04 -1.26 -5.09 135.00 125.93 2d8i s PRO 111 Ca 0.00 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.47 2d8i s PRO 111 Cb 0.00 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 2d8i s PRO 111 CO 0.00 -2.96 0.06 -1.12 0.04 0.00 0.00 177.00 173.03 2d8i s SER 112 N -3.52 2.34 0.19 6.66 0.01 -1.26 -5.05 113.70 113.07 2d8i s SER 112 Ca 0.66 -1.39 -0.22 0.00 1.31 0.00 0.00 55.95 56.31 2d8i s SER 112 Cb -0.17 -0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.12 2d8i s SER 112 CO 0.57 -0.62 1.57 0.28 0.41 0.00 0.00 173.24 175.45 2d8i h SER 113 N 2.11 -1.42 0.00 2.44 0.02 -2.05 -3.57 113.55 111.08 2d8i h SER 113 Ca -0.41 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2d8i h SER 113 Cb 1.25 0.69 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2d8i h SER 113 CO 0.69 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.68