#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8i n SER 2 N 0.00 0.00 0.34 1.61 3.41 -1.26 0.23 113.62 117.95 2d8i n SER 2 Ca 0.00 0.86 -0.14 0.00 -0.26 0.00 0.00 58.87 59.32 2d8i n SER 2 Cb 0.00 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 2d8i n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d8i h SER 3 N 0.00 -0.76 0.00 4.04 0.87 -2.06 -3.48 113.55 112.16 2d8i h SER 3 Ca 0.75 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.32 2d8i h SER 3 Cb 3.29 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 65.44 2d8i h SER 3 CO -0.01 -0.38 0.00 0.61 -0.53 0.00 0.00 176.83 176.52 2d8i n GLY 4 N -0.58 0.89 3.46 5.77 0.00 0.13 -4.89 105.19 109.97 2d8i n GLY 4 Ca -0.12 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 6.24 0.26 1.61 0.01 -1.26 -4.99 113.70 111.57 2d8i s SER 5 Ca 0.00 -0.85 -0.19 0.00 1.31 0.00 0.00 55.95 56.22 2d8i s SER 5 Cb 0.00 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.89 2d8i s SER 5 CO 0.00 -1.14 0.64 -0.94 0.41 0.00 0.00 173.24 172.21 2d8i s SER 6 N 3.09 -0.24 -0.85 2.44 1.04 -1.26 -5.08 113.70 112.83 2d8i s SER 6 Ca 0.20 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 56.01 2d8i s SER 6 Cb -0.18 0.68 0.31 0.00 0.10 0.00 0.00 66.02 66.93 2d8i s SER 6 CO 0.13 -1.25 1.35 0.61 0.98 0.00 0.00 173.24 175.06 2d8i n GLY 7 N -0.43 5.62 2.86 7.32 0.00 -1.26 -4.95 105.19 114.34 2d8i n GLY 7 Ca -0.05 -2.69 -0.30 0.00 0.00 0.00 0.00 46.02 42.99 2d8i n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d8i s GLU 8 N -3.52 1.16 0.87 1.61 0.41 -1.26 -5.12 118.70 112.85 2d8i s GLU 8 Ca 0.40 -1.11 -0.12 0.00 -0.41 0.00 0.00 54.97 53.74 2d8i s GLU 8 Cb 0.18 -2.43 0.10 0.00 -1.78 0.00 0.00 34.13 30.20 2d8i s GLU 8 CO -0.07 -0.80 1.03 0.44 -0.49 0.00 0.00 175.26 175.37 2d8i n ILE 9 N 4.70 0.82 -4.11 -1.63 -5.35 -1.26 -5.04 119.36 107.49 2d8i n ILE 9 Ca -0.05 -0.12 -0.14 0.00 -0.27 0.00 0.00 62.75 62.16 2d8i n ILE 9 Cb 0.43 -1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.28 2d8i n ILE 9 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2d8i s GLU 10 N -4.20 1.77 -0.08 6.28 2.02 -1.26 -5.07 118.70 118.15 2d8i s GLU 10 Ca 0.68 -1.71 -0.10 0.00 0.02 0.00 0.00 54.97 53.85 2d8i s GLU 10 Cb -0.26 0.41 -0.29 0.00 0.10 0.00 0.00 34.13 34.10 2d8i s GLU 10 CO 0.57 -0.71 0.55 0.82 0.02 0.00 0.00 175.26 176.51 2d8i h ILE 11 N 2.19 0.85 -0.01 -1.63 2.04 -1.96 -3.39 117.51 115.61 2d8i h ILE 11 Ca -0.28 -2.44 0.02 0.00 1.00 0.00 0.00 64.86 63.16 2d8i h ILE 11 Cb 1.24 2.67 -0.06 0.00 -0.74 0.00 0.00 36.82 39.94 2d8i h ILE 11 CO 0.40 0.85 -0.53 0.00 0.00 0.00 0.00 178.15 178.86 2d8i n PRO 13 N -5.41 -0.99 -3.42 0.00 -0.04 -1.26 -4.96 135.00 118.92 2d8i n PRO 13 Ca -0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.18 2d8i n PRO 13 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -2.95 2.48 0.01 0.54 3.01 -1.26 -4.42 119.74 117.16 2d8i s LYS 14 Ca 0.00 -1.60 0.04 0.00 -1.01 0.00 0.00 55.97 53.40 2d8i s LYS 14 Cb 0.00 -2.45 -0.01 0.00 -1.01 0.00 0.00 37.83 34.36 2d8i s LYS 14 CO 0.00 -0.43 -0.13 0.14 0.51 0.00 0.00 175.35 175.45 2d8i s VAL 15 N -2.55 0.99 0.12 3.17 -7.23 0.46 -4.85 120.40 110.51 2d8i s VAL 15 Ca 0.49 -0.72 -0.21 0.00 -1.81 0.00 0.00 61.98 59.73 2d8i s VAL 15 Cb -0.05 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.95 2d8i s VAL 15 CO 0.30 0.14 0.64 0.42 -0.31 0.00 0.00 175.10 176.29 2d8i s THR 16 N -0.54 4.62 -0.03 5.32 -4.23 -1.26 -1.46 115.64 118.06 2d8i s THR 16 Ca 0.03 1.34 0.03 0.00 -1.18 0.00 0.00 61.69 61.91 2d8i s THR 16 Cb -0.06 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.83 2d8i s THR 16 CO 0.00 0.49 -0.11 0.00 -0.54 0.00 0.00 174.62 174.47 2d8i s GLN 17 N -1.26 1.13 -0.45 3.99 -2.07 -0.79 -4.98 119.66 115.22 2d8i s GLN 17 Ca 0.33 -0.37 -0.16 0.00 -1.82 0.00 0.00 55.36 53.34 2d8i s GLN 17 Cb -0.20 -1.03 0.05 0.00 -1.09 0.00 0.00 33.01 30.74 2d8i s GLN 17 CO 0.21 0.14 0.39 -1.54 -1.32 0.00 0.00 175.29 173.17 2d8i s SER 18 N 0.15 6.15 -0.43 12.60 1.04 -1.26 -2.81 113.70 129.14 2d8i s SER 18 Ca -0.03 -1.13 -0.20 0.00 0.48 0.00 0.00 55.95 55.07 2d8i s SER 18 Cb -0.09 -2.19 0.02 0.00 0.10 0.00 0.00 66.02 63.87 2d8i s SER 18 CO 0.01 -0.60 0.61 -0.63 0.98 0.00 0.00 173.24 173.61 2d8i s ILE 19 N 1.76 4.87 -0.40 -1.02 1.09 -0.50 -4.98 121.20 122.02 2d8i s ILE 19 Ca 0.06 0.05 -0.09 0.00 -1.10 0.00 0.00 60.65 59.57 2d8i s ILE 19 Cb -0.22 -4.17 0.06 0.00 -1.06 0.00 0.00 42.46 37.07 2d8i s ILE 19 CO 0.08 -0.56 0.23 -1.00 -0.10 0.00 0.00 174.94 173.60 2d8i s HIS 20 N 2.70 3.30 0.08 3.97 3.76 -1.26 -1.74 115.29 126.10 2d8i s HIS 20 Ca 0.21 -1.38 0.01 0.00 -0.15 0.00 0.00 55.06 53.75 2d8i s HIS 20 Cb -0.15 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 2d8i s HIS 20 CO 0.18 -0.79 0.18 0.42 -0.85 0.00 0.00 174.74 173.89 2d8i s ILE 21 N 1.45 5.14 -0.11 0.60 1.01 -0.75 -4.96 121.20 123.58 2d8i s ILE 21 Ca 0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 2d8i s ILE 21 Cb -0.22 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.77 2d8i s ILE 21 CO 0.03 0.11 0.27 -1.61 0.00 0.00 0.00 174.94 173.74 2d8i s GLU 22 N -2.56 0.27 0.45 2.79 2.02 -1.26 -1.45 118.70 118.96 2d8i s GLU 22 Ca 0.33 0.50 0.08 0.00 0.02 0.00 0.00 54.97 55.90 2d8i s GLU 22 Cb -0.13 -0.00 0.01 0.00 0.10 0.00 0.00 34.13 34.11 2d8i s GLU 22 CO 0.26 -0.11 0.50 0.15 0.02 0.00 0.00 175.26 176.08 2d8i s LYS 23 N 0.85 2.57 0.02 1.61 1.02 -0.06 -4.99 119.74 120.75 2d8i s LYS 23 Ca -0.06 -1.50 -0.00 0.00 0.02 0.00 0.00 55.97 54.43 2d8i s LYS 23 Cb -0.07 -2.51 -0.00 0.00 -0.52 0.00 0.00 37.83 34.73 2d8i s LYS 23 CO -0.06 -0.34 -0.00 -1.13 -0.92 0.00 0.00 175.35 172.90 2d8i n SER 24 N -1.76 0.21 -3.59 2.83 3.41 -1.26 -4.85 113.62 108.61 2d8i n SER 24 Ca 0.06 0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.29 2d8i n SER 24 Cb 0.61 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2d8i n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d8i n ASP 25 N -2.69 7.24 -0.30 4.04 9.92 -1.26 -4.76 116.55 128.73 2d8i n ASP 25 Ca -0.00 -3.14 0.35 0.00 -0.53 0.00 0.00 54.79 51.47 2d8i n ASP 25 Cb 0.00 -1.39 0.70 0.00 -0.64 0.00 0.00 41.12 39.79 2d8i n ASP 25 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2d8i h THR 26 N 2.92 0.23 -0.77 -3.53 1.35 -1.89 0.43 112.91 111.64 2d8i h THR 26 Ca 0.61 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.65 2d8i h THR 26 Cb 0.39 0.28 -0.11 0.00 -1.73 0.00 0.00 68.15 66.98 2d8i h THR 26 CO 1.52 0.00 0.22 0.00 -0.25 0.00 0.00 175.52 177.00 2d8i h ALA 27 N 1.16 1.04 0.00 6.62 0.00 -2.02 -3.37 119.26 122.69 2d8i h ALA 27 Ca 0.56 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.64 2d8i h ALA 27 Cb 2.51 0.22 0.00 0.00 0.00 0.00 0.00 17.79 20.52 2d8i h ALA 27 CO -0.01 -0.34 -0.86 0.00 0.00 0.00 0.00 179.25 178.05 2d8i n ALA 28 N -2.64 2.97 -1.55 0.00 0.00 0.39 -4.99 120.51 114.69 2d8i n ALA 28 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 2d8i n ALA 28 Cb 0.50 0.43 -0.04 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.91 2.48 -4.59 0.00 8.00 0.12 -4.94 116.55 114.72 2d8i n ASP 29 Ca 0.00 -0.20 -0.33 0.00 0.71 0.00 0.00 54.79 54.97 2d8i n ASP 29 Cb 0.43 -1.52 -0.11 0.00 -0.02 0.00 0.00 41.12 39.90 2d8i n ASP 29 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2d8i s THR 30 N 10.58 3.63 0.00 -3.53 -1.32 -1.26 -4.12 115.64 119.63 2d8i s THR 30 Ca 1.02 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2d8i s THR 30 Cb -0.32 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 2d8i s THR 30 CO 0.32 0.46 0.74 -1.22 -2.21 0.00 0.00 174.62 172.71 2d8i n TYR 31 N 1.78 0.00 0.00 9.09 4.01 -1.26 -4.89 117.16 125.89 2d8i n TYR 31 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2d8i n TYR 31 Cb 0.53 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 -0.99 2.12 3.78 2.72 0.00 -1.26 -4.52 105.19 107.04 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 -2.02 3.41 0.36 1.61 -0.71 -1.26 -4.05 117.98 115.31 2d8i s PHE 33 Ca 0.00 0.36 0.09 0.00 -1.04 0.00 0.00 56.93 56.33 2d8i s PHE 33 Cb 0.00 -1.92 -0.06 0.00 -1.21 0.00 0.00 43.02 39.83 2d8i s PHE 33 CO 0.00 0.56 0.04 0.45 -1.34 0.00 0.00 175.22 174.93 2d8i s SER 34 N -0.73 4.21 -0.17 1.98 0.15 -1.24 -5.01 113.70 112.89 2d8i s SER 34 Ca 0.13 -1.02 0.01 0.00 0.70 0.00 0.00 55.95 55.76 2d8i s SER 34 Cb -0.12 -0.52 0.02 0.00 -1.71 0.00 0.00 66.02 63.69 2d8i s SER 34 CO 0.03 -0.30 -0.16 -0.76 1.20 0.00 0.00 173.24 173.24 2d8i s LEU 35 N -3.75 2.02 -0.16 3.45 1.43 -1.26 -3.04 118.68 117.37 2d8i s LEU 35 Ca 0.36 -0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2d8i s LEU 35 Cb 0.01 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2d8i s LEU 35 CO 0.20 -0.04 0.09 -0.55 0.23 0.00 0.00 176.35 176.28 2d8i s SER 36 N 1.37 5.91 0.11 2.29 0.15 -0.35 -4.93 113.70 118.24 2d8i s SER 36 Ca 0.04 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.89 2d8i s SER 36 Cb -0.13 -1.97 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 2d8i s SER 36 CO -0.11 0.25 0.29 -0.55 1.20 0.00 0.00 173.24 174.31 2d8i s SER 37 N -0.09 6.40 -0.17 5.45 0.15 -1.26 -0.95 113.70 123.23 2d8i s SER 37 Ca 0.08 0.38 -0.04 0.00 0.70 0.00 0.00 55.95 57.07 2d8i s SER 37 Cb -0.12 -2.00 0.08 0.00 -1.71 0.00 0.00 66.02 62.27 2d8i s SER 37 CO 0.01 0.10 0.28 -0.69 1.20 0.00 0.00 173.24 174.15 2d8i s VAL 38 N -1.61 -0.44 -0.20 4.45 1.01 0.76 -4.97 120.40 119.40 2d8i s VAL 38 Ca 0.37 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 2d8i s VAL 38 Cb -0.12 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2d8i s VAL 38 CO 0.27 0.00 0.11 -0.70 0.00 0.00 0.00 175.10 174.78 2d8i s GLU 39 N 2.43 4.10 -0.14 2.72 2.12 -1.26 -1.25 118.70 127.42 2d8i s GLU 39 Ca 0.04 -0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 2d8i s GLU 39 Cb -0.13 -3.37 0.07 0.00 0.26 0.00 0.00 34.13 30.95 2d8i s GLU 39 CO -0.11 0.25 0.26 -1.83 -0.54 0.00 0.00 175.26 173.28 2d8i s GLU 40 N 0.49 0.16 -0.82 4.30 1.03 0.35 -4.87 118.70 119.34 2d8i s GLU 40 Ca 0.06 0.65 -0.02 0.00 0.03 0.00 0.00 54.97 55.69 2d8i s GLU 40 Cb -0.12 -0.25 0.00 0.00 -0.80 0.00 0.00 34.13 32.96 2d8i s GLU 40 CO -0.00 -0.36 0.25 -0.25 -1.33 0.00 0.00 175.26 173.56 2d8i n ASP 41 N 5.35 -3.82 0.00 0.83 8.00 -1.26 -2.59 116.55 123.06 2d8i n ASP 41 Ca -0.06 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2d8i n ASP 41 Cb 0.50 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.81 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 -1.12 2.97 3.70 0.44 0.00 -1.26 -4.99 105.19 104.94 2d8i n GLY 42 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.24 4.90 -0.22 -0.61 1.01 -1.07 -5.04 121.20 118.94 2d8i s ILE 43 Ca 0.00 1.84 -0.07 0.00 0.00 0.00 0.00 60.65 62.42 2d8i s ILE 43 Cb 0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 2d8i s ILE 43 CO 0.00 0.14 0.06 -0.60 0.00 0.00 0.00 174.94 174.54 2d8i s ARG 44 N 1.27 3.72 0.36 2.79 3.52 -1.26 -0.49 118.95 128.86 2d8i s ARG 44 Ca 0.46 -0.45 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 2d8i s ARG 44 Cb -0.19 -3.25 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 2d8i s ARG 44 CO 0.22 -0.04 0.05 1.03 -0.81 0.00 0.00 175.30 175.75 2d8i s ARG 45 N 1.20 1.76 0.05 5.12 1.81 -0.38 -4.28 118.95 124.23 2d8i s ARG 45 Ca 0.04 -2.00 -0.00 0.00 -1.72 0.00 0.00 55.73 52.05 2d8i s ARG 45 Cb -0.14 -1.05 -0.03 0.00 -0.45 0.00 0.00 34.95 33.27 2d8i s ARG 45 CO 0.03 -0.19 -0.04 -0.51 -0.68 0.00 0.00 175.30 173.92 2d8i s LEU 46 N -3.56 2.41 0.12 2.53 1.02 -1.26 -0.17 118.68 119.77 2d8i s LEU 46 Ca 0.34 -0.85 -0.12 0.00 0.02 0.00 0.00 54.13 53.53 2d8i s LEU 46 Cb 0.08 0.11 0.01 0.00 0.02 0.00 0.00 46.19 46.41 2d8i s LEU 46 CO 0.15 -0.48 0.30 -0.31 0.02 0.00 0.00 176.35 176.04 2d8i s TYR 47 N -3.08 0.06 -0.64 0.29 2.02 -0.12 -3.37 117.35 112.51 2d8i s TYR 47 Ca 0.01 -0.44 -0.23 0.00 -0.37 0.00 0.00 57.07 56.04 2d8i s TYR 47 Cb 0.02 0.08 0.06 0.00 -0.40 0.00 0.00 41.96 41.72 2d8i s TYR 47 CO -0.06 -0.66 0.97 0.08 -1.57 0.00 0.00 175.55 174.30 2d8i s VAL 48 N -3.86 4.32 0.11 0.71 1.01 -0.51 -1.22 120.40 120.95 2d8i s VAL 48 Ca 0.07 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 2d8i s VAL 48 Cb 0.03 -4.66 -0.10 0.00 0.00 0.00 0.00 36.38 31.66 2d8i s VAL 48 CO -0.09 -1.39 1.67 -0.55 0.00 0.00 0.00 175.10 174.74 2d8i h ASN 49 N 9.52 -0.50 -5.68 3.32 -1.07 -1.88 -1.93 115.58 117.36 2d8i h ASN 49 Ca -0.28 0.06 -0.34 0.00 0.07 0.00 0.00 56.30 55.81 2d8i h ASN 49 Cb 1.07 0.19 -0.12 0.00 -2.07 0.00 0.00 38.32 37.39 2d8i h ASN 49 CO 1.16 -0.26 -0.39 -0.94 0.07 0.00 0.00 177.43 177.07 2d8i s SER 50 N -4.90 1.02 -0.09 6.14 1.04 -1.26 -4.58 113.70 111.08 2d8i s SER 50 Ca -0.15 -1.55 -0.11 0.00 0.48 0.00 0.00 55.95 54.63 2d8i s SER 50 Cb 0.07 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.78 2d8i s SER 50 CO 0.65 -1.10 0.28 -0.69 0.98 0.00 0.00 173.24 173.36 2d8i s VAL 51 N -3.49 0.01 0.62 5.02 1.01 -1.26 -3.66 120.40 118.66 2d8i s VAL 51 Ca 0.36 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 2d8i s VAL 51 Cb 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2d8i s VAL 51 CO 0.21 -0.06 1.14 1.17 0.00 0.00 0.00 175.10 177.56 2d8i n LYS 52 N 2.59 1.04 -2.62 2.72 4.81 -1.26 -4.85 118.16 120.60 2d8i n LYS 52 Ca -0.15 0.41 -0.43 0.00 -0.87 0.00 0.00 58.31 57.27 2d8i n LYS 52 Cb 0.58 -2.36 -0.02 0.00 0.02 0.00 0.00 35.03 33.25 2d8i n LYS 52 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2d8i s GLU 53 N -3.05 4.21 -1.69 1.64 1.03 -1.26 -3.91 118.70 115.67 2d8i s GLU 53 Ca 0.79 1.34 -0.18 0.00 0.03 0.00 0.00 54.97 56.94 2d8i s GLU 53 Cb -0.40 -3.68 0.18 0.00 -0.80 0.00 0.00 34.13 29.43 2d8i s GLU 53 CO 0.44 -0.71 0.46 -2.37 -1.33 0.00 0.00 175.26 171.75 2d8i n THR 54 N 5.47 -0.16 0.00 1.83 5.66 -1.26 -4.89 114.28 120.93 2d8i n THR 54 Ca 0.12 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2d8i n THR 54 Cb 0.46 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.27 0.82 0.11 1.09 0.00 -1.25 -4.77 105.19 99.91 2d8i n GLY 55 Ca 0.04 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 1.44 -0.06 0.99 4.77 -1.26 -3.68 117.00 119.21 2d8i n LEU 56 Ca 0.00 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 2d8i n LEU 56 Cb 0.00 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 2d8i n LEU 56 CO 0.00 0.66 0.37 0.00 -1.33 0.00 0.00 177.39 177.09 2d8i h ALA 57 N 0.57 -0.01 -0.53 -1.18 0.00 -1.91 -3.26 119.26 112.94 2d8i h ALA 57 Ca -0.49 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.03 2d8i h ALA 57 Cb 2.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 2d8i h ALA 57 CO 0.01 -0.04 0.33 1.03 0.00 0.00 0.00 179.25 180.59 2d8i h SER 58 N -0.95 0.56 -0.21 0.00 0.87 -1.77 -0.99 113.55 111.05 2d8i h SER 58 Ca -0.00 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2d8i h SER 58 Cb 0.81 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2d8i h SER 58 CO 0.00 0.40 0.28 0.07 -0.53 0.00 0.00 176.83 177.05 2d8i h LYS 59 N 0.67 0.00 0.00 2.24 2.10 -1.70 -2.85 116.57 117.03 2d8i h LYS 59 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2d8i h LYS 59 Cb -0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 2d8i h LYS 59 CO -0.07 0.00 -0.13 0.87 -2.00 0.00 0.00 179.45 178.12 2d8i h LYS 60 N 0.00 0.00 0.00 0.07 1.79 -1.24 -3.49 116.57 113.69 2d8i h LYS 60 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2d8i h LYS 60 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2d8i h LYS 60 CO -0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2d8i n GLY 61 N 1.77 0.00 2.99 3.86 0.00 -0.80 -5.13 105.19 107.88 2d8i n GLY 61 Ca -0.02 -0.00 -0.36 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 -0.21 -4.12 -3.56 0.99 4.77 -1.15 -4.92 117.00 108.80 2d8i n LEU 62 Ca 0.00 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 2d8i n LEU 62 Cb 0.00 -0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 40.26 2d8i n LEU 62 CO 0.00 -4.86 0.67 -0.75 -1.33 0.00 0.00 177.39 171.12 2d8i s LYS 63 N -1.22 0.74 0.23 3.23 2.20 -1.26 -4.40 119.74 119.25 2d8i s LYS 63 Ca 0.49 0.17 -0.32 0.00 -0.36 0.00 0.00 55.97 55.96 2d8i s LYS 63 Cb -0.38 0.35 -0.12 0.00 -1.51 0.00 0.00 37.83 36.17 2d8i s LYS 63 CO 0.67 -0.23 1.68 0.00 -0.36 0.00 0.00 175.35 177.11 2d8i n ALA 64 N 0.77 2.65 -0.36 3.13 0.00 -1.26 -3.48 120.51 121.96 2d8i n ALA 64 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2d8i n ALA 64 Cb 0.58 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 3.45 1.09 3.54 0.00 0.00 -0.73 -5.05 105.19 107.49 2d8i n GLY 65 Ca 0.14 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.15 3.17 -0.12 1.61 1.11 -1.23 -4.95 116.67 114.12 2d8i s ASP 66 Ca 0.00 -1.37 0.01 0.00 0.18 0.00 0.00 52.55 51.38 2d8i s ASP 66 Cb 0.00 -0.25 0.02 0.00 1.07 0.00 0.00 42.92 43.75 2d8i s ASP 66 CO 0.00 -0.52 -0.16 -1.83 1.18 0.00 0.00 175.17 173.85 2d8i s GLU 67 N -3.79 2.34 -0.16 8.23 -1.05 -1.26 -1.43 118.70 121.58 2d8i s GLU 67 Ca 0.36 -0.60 -0.28 0.00 -0.15 0.00 0.00 54.97 54.30 2d8i s GLU 67 Cb 0.09 -2.02 -0.01 0.00 -0.44 0.00 0.00 34.13 31.76 2d8i s GLU 67 CO 0.17 -0.11 0.95 0.42 0.95 0.00 0.00 175.26 177.65 2d8i s ILE 68 N 1.11 4.79 -0.04 1.83 -1.09 -1.22 -4.60 121.20 121.98 2d8i s ILE 68 Ca -0.03 1.90 -0.19 0.00 -2.23 0.00 0.00 60.65 60.10 2d8i s ILE 68 Cb -0.14 -4.25 -0.32 0.00 -1.58 0.00 0.00 42.46 36.17 2d8i s ILE 68 CO -0.04 -0.03 0.84 -0.07 -1.23 0.00 0.00 174.94 174.40 2d8i h LEU 69 N 8.46 0.56 -8.06 2.97 3.38 -1.77 -3.44 115.31 117.42 2d8i h LEU 69 Ca -0.28 -0.92 -0.05 0.00 0.09 0.00 0.00 57.88 56.72 2d8i h LEU 69 Cb 1.12 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 2d8i h LEU 69 CO 0.88 1.54 -0.11 -1.61 0.09 0.00 0.00 178.44 179.23 2d8i s GLU 70 N -2.49 1.43 -0.24 1.13 2.02 -1.24 -3.75 118.70 115.57 2d8i s GLU 70 Ca -0.14 -1.13 -0.04 0.00 0.02 0.00 0.00 54.97 53.68 2d8i s GLU 70 Cb 0.03 0.47 0.09 0.00 0.10 0.00 0.00 34.13 34.82 2d8i s GLU 70 CO 0.85 -0.59 0.16 0.42 0.02 0.00 0.00 175.26 176.12 2d8i s ILE 71 N -3.97 -0.18 -1.23 -1.63 1.01 -0.54 -2.78 121.20 111.88 2d8i s ILE 71 Ca 0.18 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 2d8i s ILE 71 Cb -0.00 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2d8i s ILE 71 CO 0.04 -0.45 0.80 0.59 0.00 0.00 0.00 174.94 175.92 2d8i n ASN 72 N 5.28 -5.62 -1.19 3.58 3.02 -0.58 -2.41 115.26 117.34 2d8i n ASN 72 Ca -0.06 -0.37 -0.07 0.00 -0.03 0.00 0.00 54.58 54.05 2d8i n ASN 72 Cb 0.46 -4.32 0.01 0.00 -0.61 0.00 0.00 39.78 35.32 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 -2.13 -3.08 -4.18 6.41 5.15 -1.26 -5.05 115.26 111.13 2d8i n ASN 73 Ca -0.04 -0.10 -0.17 0.00 -0.60 0.00 0.00 54.58 53.67 2d8i n ASN 73 Cb 0.57 -1.96 -0.12 0.00 -0.53 0.00 0.00 39.78 37.75 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 -4.96 0.84 -0.27 1.20 1.81 -1.01 -5.12 118.95 111.44 2d8i s ARG 74 Ca 0.11 -1.02 -0.29 0.00 -1.72 0.00 0.00 55.73 52.81 2d8i s ARG 74 Cb -0.05 -0.77 0.01 0.00 -0.45 0.00 0.00 34.95 33.69 2d8i s ARG 74 CO 0.14 0.16 1.06 0.00 -0.68 0.00 0.00 175.30 175.97 2d8i s ALA 75 N -1.57 3.60 0.22 2.13 0.00 -1.26 -1.47 121.76 123.40 2d8i s ALA 75 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 2d8i s ALA 75 Cb -0.08 -3.61 0.25 0.00 0.00 0.00 0.00 23.12 19.68 2d8i s ALA 75 CO 0.02 -1.26 1.58 0.00 0.00 0.00 0.00 175.76 176.10 2d8i h ALA 76 N 7.76 0.25 -0.92 0.00 0.00 -1.87 0.52 119.26 125.00 2d8i h ALA 76 Ca -0.20 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2d8i h ALA 76 Cb 1.06 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 2d8i h ALA 76 CO 1.00 -0.55 0.60 0.22 0.00 0.00 0.00 179.25 180.53 2d8i h ASP 77 N -0.06 0.96 -0.20 0.00 1.82 -1.90 -1.37 116.42 115.67 2d8i h ASP 77 Ca 0.33 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.92 2d8i h ASP 77 Cb 0.58 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 2d8i h ASP 77 CO -0.82 0.64 -0.01 0.00 -1.61 0.00 0.00 179.24 177.44 2d8i h ALA 78 N 1.48 1.39 -2.43 -0.78 0.00 -0.40 -3.43 119.26 115.09 2d8i h ALA 78 Ca 0.38 -0.20 -0.48 0.00 0.00 0.00 0.00 54.91 54.61 2d8i h ALA 78 Cb 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 17.79 17.80 2d8i h ALA 78 CO -0.13 0.43 0.40 -0.51 0.00 0.00 0.00 179.25 179.44 2d8i s LEU 79 N -9.03 3.80 0.29 0.00 1.43 -0.23 -5.02 118.68 109.93 2d8i s LEU 79 Ca -0.07 2.02 0.10 0.00 -1.03 0.00 0.00 54.13 55.14 2d8i s LEU 79 Cb 0.15 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.75 2d8i s LEU 79 CO 0.76 -0.95 -0.13 0.21 0.23 0.00 0.00 176.35 176.46 2d8i s ASN 80 N -1.92 3.40 0.08 2.29 2.47 -1.26 -4.96 114.94 115.03 2d8i s ASN 80 Ca 0.69 -1.11 -0.16 0.00 0.42 0.00 0.00 52.86 52.69 2d8i s ASN 80 Cb -0.19 -0.28 -0.04 0.00 -1.45 0.00 0.00 41.25 39.29 2d8i s ASN 80 CO 0.23 -0.13 1.28 -1.28 -3.72 0.00 0.00 177.10 173.48 2d8i h SER 81 N 2.21 -1.08 -0.87 -4.21 0.87 -1.97 0.39 113.55 108.88 2d8i h SER 81 Ca -0.40 0.16 0.16 0.00 -1.23 0.00 0.00 61.79 60.47 2d8i h SER 81 Cb 1.25 0.47 -0.16 0.00 -0.44 0.00 0.00 62.40 63.52 2d8i h SER 81 CO 0.65 -0.15 -0.30 -1.28 -0.53 0.00 0.00 176.83 175.23 2d8i h SER 82 N -0.06 -1.08 -0.24 6.23 0.87 -2.01 0.17 113.55 117.43 2d8i h SER 82 Ca 0.07 0.27 0.06 0.00 -1.23 0.00 0.00 61.79 60.96 2d8i h SER 82 Cb 0.24 0.62 -0.06 0.00 -0.44 0.00 0.00 62.40 62.76 2d8i h SER 82 CO -0.44 -0.29 -0.17 0.24 -0.53 0.00 0.00 176.83 175.64 2d8i h MET 83 N -0.03 -0.15 -0.17 2.24 2.86 -1.39 -2.77 114.93 115.52 2d8i h MET 83 Ca 0.37 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.05 2d8i h MET 83 Cb 0.62 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 2d8i h MET 83 CO -0.90 -0.10 -0.47 -0.07 1.06 0.00 0.00 176.91 176.42 2d8i h LEU 84 N -0.16 -1.52 -0.94 1.22 3.38 0.83 -0.05 115.31 118.07 2d8i h LEU 84 Ca 0.14 0.18 0.20 0.00 0.09 0.00 0.00 57.88 58.49 2d8i h LEU 84 Cb 0.36 0.60 -0.18 0.00 0.09 0.00 0.00 40.66 41.54 2d8i h LEU 84 CO -0.34 -0.41 -0.19 1.17 0.09 0.00 0.00 178.44 178.77 2d8i n LYS 85 N -5.03 -0.08 0.11 1.13 4.81 -0.86 0.03 118.16 118.28 2d8i n LYS 85 Ca -0.05 1.45 -0.13 0.00 -0.87 0.00 0.00 58.31 58.71 2d8i n LYS 85 Cb 0.32 -2.19 -0.08 0.00 0.02 0.00 0.00 35.03 33.10 2d8i n LYS 85 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2d8i h ASP 86 N 0.00 -0.21 -0.34 3.14 3.58 -1.05 -2.31 116.42 119.23 2d8i h ASP 86 Ca 0.47 -0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.87 2d8i h ASP 86 Cb 0.77 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 41.79 2d8i h ASP 86 CO -0.95 0.00 -0.27 -0.26 -2.88 0.00 0.00 179.24 174.88 2d8i h PHE 87 N -0.42 -0.74 0.00 0.28 -1.00 0.14 0.42 116.94 115.62 2d8i h PHE 87 Ca -0.03 0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 2d8i h PHE 87 Cb 0.33 0.37 -0.00 0.00 3.61 0.00 0.00 35.95 40.26 2d8i h PHE 87 CO -0.01 -0.34 -0.00 -0.07 -1.61 0.00 0.00 178.31 176.27 2d8i h LEU 88 N -0.23 0.00 -1.32 1.54 3.38 -0.84 -0.20 115.31 117.64 2d8i h LEU 88 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2d8i h LEU 88 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2d8i h LEU 88 CO -0.47 0.00 -0.03 -1.28 0.09 0.00 0.00 178.44 176.75 2d8i h SER 89 N 0.00 0.00 -4.06 -0.43 0.87 0.44 -3.44 113.55 106.93 2d8i h SER 89 Ca -0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 2d8i h SER 89 Cb 0.05 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2d8i h SER 89 CO 0.00 0.03 0.40 -1.10 -0.53 0.00 0.00 176.83 175.63 2d8i s GLN 90 N -3.64 3.78 0.24 2.24 -1.52 -0.09 -4.97 119.66 115.71 2d8i s GLN 90 Ca 0.01 1.43 0.01 0.00 -1.95 0.00 0.00 55.36 54.87 2d8i s GLN 90 Cb 0.09 -2.15 0.26 0.00 -0.22 0.00 0.00 33.01 30.99 2d8i s GLN 90 CO 0.56 -0.46 1.60 -1.00 -0.25 0.00 0.00 175.29 175.75 2d8i h PRO 91 N 1.65 0.45 -5.88 2.91 0.13 -1.87 -3.44 132.00 125.97 2d8i h PRO 91 Ca -0.49 -0.24 -0.69 0.00 -0.87 0.00 0.00 66.00 63.71 2d8i h PRO 91 Cb 1.23 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.05 2d8i h PRO 91 CO 0.59 0.81 -0.88 -1.54 -0.23 0.00 0.00 178.00 176.75 2d8i s SER 92 N -6.87 3.05 0.07 1.44 1.04 -1.26 -0.88 113.70 110.29 2d8i s SER 92 Ca -0.06 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.87 2d8i s SER 92 Cb 0.12 -0.94 -0.03 0.00 0.10 0.00 0.00 66.02 65.28 2d8i s SER 92 CO 0.81 0.23 -0.08 -0.76 0.98 0.00 0.00 173.24 174.42 2d8i s LEU 93 N -0.07 2.38 -0.37 2.42 1.02 -0.53 -5.01 118.68 118.53 2d8i s LEU 93 Ca -0.06 -0.78 0.01 0.00 0.02 0.00 0.00 54.13 53.32 2d8i s LEU 93 Cb -0.14 -0.16 0.11 0.00 0.02 0.00 0.00 46.19 46.02 2d8i s LEU 93 CO 0.05 -0.31 0.15 -0.83 0.02 0.00 0.00 176.35 175.42 2d8i s GLY 94 N -2.31 1.43 0.20 -3.19 0.00 -1.26 -1.81 107.32 100.38 2d8i s GLY 94 Ca 0.02 -2.16 -0.07 0.00 0.00 0.00 0.00 44.72 42.51 2d8i s GLY 94 CO -0.02 1.49 0.47 1.08 0.00 0.00 0.00 173.10 176.12 2d8i s LEU 95 N 1.02 4.20 -0.26 0.66 1.43 -0.71 -1.53 118.68 123.48 2d8i s LEU 95 Ca 0.13 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 2d8i s LEU 95 Cb -0.20 -3.49 0.07 0.00 0.03 0.00 0.00 46.19 42.60 2d8i s LEU 95 CO -0.13 -0.03 -0.05 -0.22 0.23 0.00 0.00 176.35 176.14 2d8i s LEU 96 N -2.86 3.16 0.31 1.79 2.96 -1.12 -1.41 118.68 121.52 2d8i s LEU 96 Ca 0.44 -1.41 0.11 0.00 -0.22 0.00 0.00 54.13 53.05 2d8i s LEU 96 Cb -0.12 -1.36 -0.06 0.00 0.50 0.00 0.00 46.19 45.16 2d8i s LEU 96 CO 0.24 -0.24 -0.13 0.68 -1.32 0.00 0.00 176.35 175.57 2d8i s VAL 97 N 1.23 2.43 0.05 1.68 -7.23 -1.12 -1.98 120.40 115.46 2d8i s VAL 97 Ca -0.04 -2.27 0.01 0.00 -1.81 0.00 0.00 61.98 57.87 2d8i s VAL 97 Cb -0.19 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2d8i s VAL 97 CO -0.07 -0.30 0.10 -0.60 -0.31 0.00 0.00 175.10 173.93 2d8i s ARG 98 N -3.57 3.04 0.05 4.82 3.52 -1.26 -1.89 118.95 123.65 2d8i s ARG 98 Ca 0.31 -0.58 -0.08 0.00 -0.13 0.00 0.00 55.73 55.25 2d8i s ARG 98 Cb -0.02 -2.83 -0.00 0.00 -1.56 0.00 0.00 34.95 30.55 2d8i s ARG 98 CO 0.16 0.60 0.17 -0.08 -0.81 0.00 0.00 175.30 175.34 2d8i s THR 99 N -1.35 0.12 -0.11 4.11 -1.32 -0.53 -4.98 115.64 111.58 2d8i s THR 99 Ca 0.28 -0.99 -0.15 0.00 -1.21 0.00 0.00 61.69 59.62 2d8i s THR 99 Cb -0.12 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 69.83 2d8i s THR 99 CO 0.20 -0.55 0.37 -0.31 -2.21 0.00 0.00 174.62 172.13 2d8i s TYR 100 N -2.80 3.55 0.06 9.09 1.51 -1.26 -0.40 117.35 127.09 2d8i s TYR 100 Ca -0.03 0.78 -0.31 0.00 -1.01 0.00 0.00 57.07 56.50 2d8i s TYR 100 Cb 0.00 -2.38 -0.07 0.00 -0.11 0.00 0.00 41.96 39.40 2d8i s TYR 100 CO -0.05 0.33 1.40 -1.25 -1.11 0.00 0.00 175.55 174.87 2d8i s PRO 101 N 0.09 4.30 0.19 -1.71 0.04 -1.26 -4.95 135.00 131.69 2d8i s PRO 101 Ca 0.21 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 2d8i s PRO 101 Cb -0.14 -3.41 0.03 0.00 0.04 0.00 0.00 34.50 31.02 2d8i s PRO 101 CO 0.08 -0.50 0.53 -2.00 0.04 0.00 0.00 177.00 175.15 2d8i s GLU 102 N 1.72 1.35 -0.48 4.56 2.12 -1.26 -4.99 118.70 121.71 2d8i s GLU 102 Ca 0.64 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 2d8i s GLU 102 Cb -0.34 0.53 0.28 0.00 0.26 0.00 0.00 34.13 34.86 2d8i s GLU 102 CO 0.29 -0.57 2.11 1.28 -0.54 0.00 0.00 175.26 177.82 2d8i n LEU 103 N -0.34 6.95 -2.52 2.70 4.77 -1.26 -4.32 117.00 122.99 2d8i n LEU 103 Ca -0.12 -3.80 -0.12 0.00 -0.03 0.00 0.00 56.01 51.94 2d8i n LEU 103 Cb 0.63 -1.05 0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2d8i n LEU 103 CO 0.16 1.39 0.06 -1.84 -1.33 0.00 0.00 177.39 175.83 2d8i n GLU 104 N -0.07 2.42 -3.93 3.23 0.28 -1.26 -5.04 120.64 116.27 2d8i n GLU 104 Ca 0.44 -3.79 -0.35 0.00 -0.16 0.00 0.00 57.16 53.31 2d8i n GLU 104 Cb 0.58 -1.84 -0.14 0.00 1.43 0.00 0.00 31.44 31.48 2d8i n GLU 104 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2d8i s GLU 105 N -3.61 2.97 0.00 3.44 2.02 -1.26 -4.96 118.70 117.29 2d8i s GLU 105 Ca 0.37 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.46 2d8i s GLU 105 Cb 0.38 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.58 2d8i s GLU 105 CO -0.02 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.31 2d8i n GLY 106 N 4.72 -0.42 2.97 -1.39 0.00 -1.26 -5.13 105.19 104.67 2d8i n GLY 106 Ca -0.17 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 0.68 -0.24 1.61 0.11 -1.26 -5.14 120.40 116.16 2d8i s VAL 107 Ca 0.00 -0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 2d8i s VAL 107 Cb 0.00 -0.62 0.16 0.00 -1.53 0.00 0.00 36.38 34.39 2d8i s VAL 107 CO 0.00 0.22 1.19 -1.83 -3.33 0.00 0.00 175.10 171.36 2d8i s GLU 108 N 0.32 0.32 -0.11 1.54 -1.05 -1.26 -5.16 118.70 113.29 2d8i s GLU 108 Ca -0.05 0.13 0.02 0.00 -0.15 0.00 0.00 54.97 54.92 2d8i s GLU 108 Cb -0.09 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.76 2d8i s GLU 108 CO 0.00 -0.09 -0.17 0.45 0.95 0.00 0.00 175.26 176.40 2d8i s SER 109 N -0.83 2.60 0.23 0.83 0.15 -1.26 -5.12 113.70 110.30 2d8i s SER 109 Ca 0.04 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 2d8i s SER 109 Cb -0.02 -1.18 -0.09 0.00 -1.71 0.00 0.00 66.02 63.03 2d8i s SER 109 CO -0.05 0.05 1.20 -0.83 1.20 0.00 0.00 173.24 174.81 2d8i s GLY 110 N 0.85 2.77 0.01 9.45 0.00 -1.26 -4.98 107.32 114.16 2d8i s GLY 110 Ca -0.09 1.00 -0.30 0.00 0.00 0.00 0.00 44.72 45.33 2d8i s GLY 110 CO -0.00 1.81 1.44 2.56 0.00 0.00 0.00 173.10 178.91 2d8i s PRO 111 N -0.68 4.27 -0.29 2.90 0.04 -1.26 -5.00 135.00 134.98 2d8i s PRO 111 Ca 0.51 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.43 2d8i s PRO 111 Cb -0.34 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2d8i s PRO 111 CO 0.40 -0.61 0.32 -1.12 0.04 0.00 0.00 177.00 176.03 2d8i s SER 112 N 2.00 6.17 0.05 6.66 0.01 -1.26 -5.02 113.70 122.31 2d8i s SER 112 Ca 0.65 0.06 -0.28 0.00 1.31 0.00 0.00 55.95 57.70 2d8i s SER 112 Cb -0.33 -2.18 -0.15 0.00 0.21 0.00 0.00 66.02 63.58 2d8i s SER 112 CO 0.27 -0.19 0.70 -1.54 0.41 0.00 0.00 173.24 172.89 2d8i n SER 113 N 5.27 -0.31 0.00 2.44 3.41 -1.26 -5.35 113.62 117.82 2d8i n SER 113 Ca -0.10 0.89 0.01 0.00 -0.26 0.00 0.00 58.87 59.42 2d8i n SER 113 Cb 0.51 -0.72 0.09 0.00 -0.26 0.00 0.00 64.21 63.82 2d8i n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49