#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 -4.16 -1.94 1.61 2.88 -1.26 -4.84 113.62 105.92 2d8i n SER 2 Ca 0.00 -0.78 -0.14 0.00 -1.33 0.00 0.00 58.87 56.62 2d8i n SER 2 Cb 0.00 -3.95 -0.02 0.00 -0.75 0.00 0.00 64.21 59.49 2d8i n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d8i n SER 3 N -2.88 6.05 0.00 -3.46 2.88 -1.26 -4.76 113.62 110.19 2d8i n SER 3 Ca -0.03 -2.86 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 2d8i n SER 3 Cb 0.56 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2d8i n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8i n GLY 4 N 1.02 2.50 3.52 0.46 0.00 -1.26 -4.97 105.19 106.45 2d8i n GLY 4 Ca 0.29 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2d8i n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8i n SER 5 N 1.76 0.76 -4.62 1.61 2.88 -1.26 -4.89 113.62 109.87 2d8i n SER 5 Ca 0.00 -0.30 -0.24 0.00 -1.33 0.00 0.00 58.87 57.00 2d8i n SER 5 Cb 0.00 -1.13 -0.08 0.00 -0.75 0.00 0.00 64.21 62.25 2d8i n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8i s SER 6 N 8.78 4.43 0.00 -3.46 0.15 -1.26 -4.88 113.70 117.47 2d8i s SER 6 Ca 1.20 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2d8i s SER 6 Cb -0.77 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2d8i s SER 6 CO 0.39 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.48 2d8i n GLY 7 N -0.62 0.43 3.91 9.45 0.00 -1.26 -4.89 105.19 112.21 2d8i n GLY 7 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2d8i n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d8i n GLU 8 N 0.00 -5.42 -3.55 1.61 1.02 -1.26 -4.95 120.64 108.09 2d8i n GLU 8 Ca 0.00 0.59 -0.34 0.00 -0.02 0.00 0.00 57.16 57.39 2d8i n GLU 8 Cb 0.00 -5.45 -0.05 0.00 -0.02 0.00 0.00 31.44 25.91 2d8i n GLU 8 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2d8i s ILE 9 N -3.33 5.06 0.18 -3.67 -4.36 -1.26 -4.96 121.20 108.86 2d8i s ILE 9 Ca 0.62 0.46 -0.20 0.00 -0.26 0.00 0.00 60.65 61.27 2d8i s ILE 9 Cb -0.31 -3.65 0.05 0.00 1.25 0.00 0.00 42.46 39.79 2d8i s ILE 9 CO 0.83 0.24 0.57 -0.70 0.24 0.00 0.00 174.94 176.12 2d8i s GLU 10 N -2.03 1.36 0.34 0.37 2.12 -1.26 -5.03 118.70 114.56 2d8i s GLU 10 Ca 0.35 -0.70 0.12 0.00 0.36 0.00 0.00 54.97 55.11 2d8i s GLU 10 Cb -0.14 0.56 1.07 0.00 0.26 0.00 0.00 34.13 35.88 2d8i s GLU 10 CO 0.19 -0.59 1.60 0.82 -0.54 0.00 0.00 175.26 176.74 2d8i h ILE 11 N 2.11 0.10 -3.21 -3.70 1.08 -2.07 -2.97 117.51 108.85 2d8i h ILE 11 Ca -0.30 -0.03 -0.63 0.00 -0.39 0.00 0.00 64.86 63.51 2d8i h ILE 11 Cb 1.28 0.00 -0.41 0.00 -3.07 0.00 0.00 36.82 34.62 2d8i h ILE 11 CO 0.37 0.02 -0.63 0.00 -0.69 0.00 0.00 178.15 177.21 2d8i s PRO 13 N -0.60 3.18 0.38 0.00 0.04 -1.12 -4.98 135.00 131.89 2d8i s PRO 13 Ca 0.20 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 2d8i s PRO 13 Cb -0.18 -4.22 -0.09 0.00 0.04 0.00 0.00 34.50 30.05 2d8i s PRO 13 CO -0.06 -2.05 1.17 0.15 0.04 0.00 0.00 177.00 176.25 2d8i s LYS 14 N 5.91 4.17 0.14 4.56 1.02 -1.26 -4.36 119.74 129.92 2d8i s LYS 14 Ca 0.73 1.86 0.08 0.00 0.02 0.00 0.00 55.97 58.66 2d8i s LYS 14 Cb -0.18 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2d8i s LYS 14 CO 0.30 -0.23 -0.09 0.14 -0.92 0.00 0.00 175.35 174.55 2d8i s VAL 15 N -1.36 3.29 0.01 3.17 -7.23 0.77 -4.88 120.40 114.17 2d8i s VAL 15 Ca 0.54 -1.47 -0.20 0.00 -1.81 0.00 0.00 61.98 59.05 2d8i s VAL 15 Cb -0.31 -2.59 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 2d8i s VAL 15 CO 0.40 -0.01 0.57 0.42 -0.31 0.00 0.00 175.10 176.18 2d8i s THR 16 N -1.47 4.88 -0.12 5.32 -4.23 -1.26 -0.08 115.64 118.68 2d8i s THR 16 Ca 0.23 1.20 -0.00 0.00 -1.18 0.00 0.00 61.69 61.94 2d8i s THR 16 Cb -0.10 -3.91 0.02 0.00 1.34 0.00 0.00 72.50 69.86 2d8i s THR 16 CO 0.15 0.46 -0.10 0.00 -0.54 0.00 0.00 174.62 174.59 2d8i s GLN 17 N -0.44 1.75 -0.41 3.99 -2.07 0.16 -4.95 119.66 117.68 2d8i s GLN 17 Ca 0.30 -0.35 -0.27 0.00 -1.82 0.00 0.00 55.36 53.22 2d8i s GLN 17 Cb -0.18 -1.72 0.02 0.00 -1.09 0.00 0.00 33.01 30.04 2d8i s GLN 17 CO 0.17 -0.24 1.02 -1.54 -1.32 0.00 0.00 175.29 173.38 2d8i s SER 18 N 1.57 6.67 -0.39 12.60 1.04 -1.26 -2.91 113.70 131.03 2d8i s SER 18 Ca 0.04 0.53 -0.08 0.00 0.48 0.00 0.00 55.95 56.92 2d8i s SER 18 Cb -0.13 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.55 2d8i s SER 18 CO -0.08 -1.02 0.20 -0.63 0.98 0.00 0.00 173.24 172.68 2d8i s ILE 19 N 3.87 4.11 -0.33 -1.02 1.01 -0.03 -4.99 121.20 123.82 2d8i s ILE 19 Ca 0.42 -1.25 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 2d8i s ILE 19 Cb -0.10 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 2d8i s ILE 19 CO 0.24 -0.37 0.20 -1.38 0.00 0.00 0.00 174.94 173.64 2d8i s HIS 20 N 1.43 3.21 -0.21 3.97 -3.43 -1.26 -1.26 115.29 117.74 2d8i s HIS 20 Ca 0.02 -0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 53.76 2d8i s HIS 20 Cb -0.21 -2.43 -0.05 0.00 -1.43 0.00 0.00 32.58 28.46 2d8i s HIS 20 CO 0.03 -0.42 0.22 0.42 -2.00 0.00 0.00 174.74 172.99 2d8i s ILE 21 N 1.67 5.33 -0.11 -5.38 1.01 0.50 -4.94 121.20 119.28 2d8i s ILE 21 Ca 0.05 0.35 0.02 0.00 0.00 0.00 0.00 60.65 61.08 2d8i s ILE 21 Cb -0.17 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2d8i s ILE 21 CO 0.09 0.36 -0.18 -1.61 0.00 0.00 0.00 174.94 173.59 2d8i s GLU 22 N 0.81 2.54 -0.08 2.79 2.02 -1.26 -0.96 118.70 124.57 2d8i s GLU 22 Ca 0.11 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.31 2d8i s GLU 22 Cb -0.13 -2.06 -0.05 0.00 0.10 0.00 0.00 34.13 31.99 2d8i s GLU 22 CO 0.03 0.00 0.26 0.15 0.02 0.00 0.00 175.26 175.73 2d8i s LYS 23 N 0.79 3.73 -0.07 1.61 1.02 0.31 -5.02 119.74 122.10 2d8i s LYS 23 Ca -0.10 0.10 -0.17 0.00 0.02 0.00 0.00 55.97 55.82 2d8i s LYS 23 Cb -0.16 -3.23 -0.13 0.00 -0.52 0.00 0.00 37.83 33.79 2d8i s LYS 23 CO 0.01 0.68 0.67 1.03 -0.92 0.00 0.00 175.35 176.82 2d8i h SER 24 N 5.08 -0.18 -3.77 2.83 0.87 -1.95 -3.41 113.55 113.02 2d8i h SER 24 Ca -0.52 -0.30 -0.65 0.00 -1.23 0.00 0.00 61.79 59.09 2d8i h SER 24 Cb 1.22 0.05 -0.40 0.00 -0.44 0.00 0.00 62.40 62.83 2d8i h SER 24 CO 0.61 0.40 -0.49 -1.81 -0.53 0.00 0.00 176.83 175.01 2d8i s ASP 25 N -5.48 4.88 0.25 6.23 1.11 -1.26 -4.93 116.67 117.47 2d8i s ASP 25 Ca -0.10 -3.38 -0.05 0.00 0.18 0.00 0.00 52.55 49.20 2d8i s ASP 25 Cb 0.00 -1.71 0.32 0.00 1.07 0.00 0.00 42.92 42.59 2d8i s ASP 25 CO 0.38 -0.20 1.91 0.74 1.18 0.00 0.00 175.17 179.18 2d8i h THR 26 N 4.88 1.18 -0.71 -1.27 2.02 -1.80 0.81 112.91 118.03 2d8i h THR 26 Ca 0.04 -0.43 0.12 0.00 0.77 0.00 0.00 66.41 66.91 2d8i h THR 26 Cb 0.84 -0.19 -0.12 0.00 -1.74 0.00 0.00 68.15 66.94 2d8i h THR 26 CO 0.73 0.23 -0.23 0.00 0.37 0.00 0.00 175.52 176.62 2d8i n ALA 27 N -2.37 0.03 -0.04 6.16 0.00 -1.26 -3.50 120.51 119.53 2d8i n ALA 27 Ca 0.13 0.74 -0.05 0.00 0.00 0.00 0.00 53.44 54.26 2d8i n ALA 27 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 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 -3.68 1.54 -1.68 0.00 0.00 -1.10 -4.99 120.51 110.60 2d8i n ALA 28 Ca 0.09 -0.48 -0.45 0.00 0.00 0.00 0.00 53.44 52.60 2d8i n ALA 28 Cb 0.32 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.90 3.14 -3.70 0.00 8.00 0.26 -4.99 116.55 115.36 2d8i n ASP 29 Ca -0.08 1.10 -0.11 0.00 0.71 0.00 0.00 54.79 56.41 2d8i n ASP 29 Cb 0.29 -1.45 -0.11 0.00 -0.02 0.00 0.00 41.12 39.83 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 0.66 -0.03 0.45 -3.53 -1.32 -1.26 -4.10 115.64 106.51 2d8i s THR 30 Ca 0.75 0.10 -0.16 0.00 -1.21 0.00 0.00 61.69 61.17 2d8i s THR 30 Cb -0.65 -0.57 -0.13 0.00 -1.51 0.00 0.00 72.50 69.64 2d8i s THR 30 CO 0.41 0.04 -0.12 -1.22 -2.21 0.00 0.00 174.62 171.51 2d8i n TYR 31 N 4.17 -2.59 -1.60 9.09 4.01 -1.26 -4.90 117.16 124.08 2d8i n TYR 31 Ca -0.23 0.39 0.06 0.00 -0.16 0.00 0.00 57.90 57.96 2d8i n TYR 31 Cb 0.55 -1.48 0.15 0.00 -0.31 0.00 0.00 39.34 38.26 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 2.22 4.27 3.54 2.72 0.00 -1.26 -5.01 105.19 111.66 2d8i n GLY 32 Ca 0.07 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.54 3.09 0.49 1.61 -0.71 -1.26 -2.99 117.98 115.67 2d8i s PHE 33 Ca 0.34 -0.20 0.08 0.00 -1.04 0.00 0.00 56.93 56.11 2d8i s PHE 33 Cb 0.33 -1.99 0.04 0.00 -1.21 0.00 0.00 43.02 40.19 2d8i s PHE 33 CO -0.05 0.02 0.67 -1.12 -1.34 0.00 0.00 175.22 173.39 2d8i s SER 34 N 0.35 5.42 -0.02 1.98 0.01 -0.90 -4.92 113.70 115.63 2d8i s SER 34 Ca -0.02 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 2d8i s SER 34 Cb -0.14 -0.36 0.02 0.00 0.21 0.00 0.00 66.02 65.75 2d8i s SER 34 CO 0.02 -1.00 0.04 -0.76 0.41 0.00 0.00 173.24 171.94 2d8i s LEU 35 N -4.51 1.41 -0.07 2.44 1.43 -1.26 -2.23 118.68 115.89 2d8i s LEU 35 Ca 0.58 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2d8i s LEU 35 Cb -0.09 0.03 -0.04 0.00 0.03 0.00 0.00 46.19 46.13 2d8i s LEU 35 CO 0.36 -0.08 0.05 -0.55 0.23 0.00 0.00 176.35 176.36 2d8i s SER 36 N 0.62 5.56 -0.30 2.29 0.15 0.55 -4.86 113.70 117.71 2d8i s SER 36 Ca -0.05 0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.69 2d8i s SER 36 Cb -0.07 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 2d8i s SER 36 CO -0.02 0.36 0.20 -0.94 1.20 0.00 0.00 173.24 174.04 2d8i s SER 37 N -1.11 5.98 -0.20 5.45 1.04 -1.26 -1.87 113.70 121.72 2d8i s SER 37 Ca 0.16 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2d8i s SER 37 Cb -0.12 -2.11 0.03 0.00 0.10 0.00 0.00 66.02 63.92 2d8i s SER 37 CO 0.05 -0.12 -0.16 -0.69 0.98 0.00 0.00 173.24 173.29 2d8i s VAL 38 N 1.73 2.22 -0.09 5.02 1.01 -0.49 -4.97 120.40 124.84 2d8i s VAL 38 Ca 0.07 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 2d8i s VAL 38 Cb -0.17 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2d8i s VAL 38 CO 0.10 0.40 0.41 -0.70 0.00 0.00 0.00 175.10 175.31 2d8i s GLU 39 N 1.27 4.19 -0.18 2.72 2.12 -1.26 -0.48 118.70 127.08 2d8i s GLU 39 Ca 0.02 0.35 -0.04 0.00 0.36 0.00 0.00 54.97 55.66 2d8i s GLU 39 Cb -0.15 -3.37 0.08 0.00 0.26 0.00 0.00 34.13 30.96 2d8i s GLU 39 CO -0.10 0.35 0.20 -1.21 -0.54 0.00 0.00 175.26 173.95 2d8i s GLU 40 N 0.05 0.15 -1.54 4.30 2.02 0.54 -4.87 118.70 119.36 2d8i s GLU 40 Ca 0.23 0.27 -0.05 0.00 0.02 0.00 0.00 54.97 55.44 2d8i s GLU 40 Cb -0.15 -1.05 0.01 0.00 0.10 0.00 0.00 34.13 33.04 2d8i s GLU 40 CO 0.10 -0.58 0.60 -0.25 0.02 0.00 0.00 175.26 175.15 2d8i n ASP 41 N 5.32 -6.08 0.00 -0.19 8.00 -1.26 -1.48 116.55 120.86 2d8i n ASP 41 Ca -0.06 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.16 2d8i n ASP 41 Cb 0.50 -4.89 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 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 -1.51 2.93 3.63 0.44 0.00 -1.26 -4.99 105.19 104.42 2d8i n GLY 42 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.59 4.81 -0.14 -0.61 1.01 -0.55 -5.04 121.20 119.10 2d8i s ILE 43 Ca 0.00 1.41 -0.14 0.00 0.00 0.00 0.00 60.65 61.92 2d8i s ILE 43 Cb 0.00 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2d8i s ILE 43 CO 0.00 -0.15 0.33 -0.60 0.00 0.00 0.00 174.94 174.52 2d8i s ARG 44 N 2.91 4.22 0.35 2.79 3.00 -1.26 -0.34 118.95 130.61 2d8i s ARG 44 Ca 0.34 0.17 0.09 0.00 -1.00 0.00 0.00 55.73 55.34 2d8i s ARG 44 Cb -0.15 -3.40 -0.06 0.00 0.00 0.00 0.00 34.95 31.33 2d8i s ARG 44 CO 0.10 0.28 -0.07 1.03 0.00 0.00 0.00 175.30 176.63 2d8i s ARG 45 N 0.33 1.86 0.10 5.12 3.00 0.37 -4.19 118.95 125.54 2d8i s ARG 45 Ca 0.19 -1.92 0.09 0.00 0.00 0.00 0.00 55.73 54.08 2d8i s ARG 45 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 34.95 33.04 2d8i s ARG 45 CO 0.06 0.13 -0.19 -0.51 0.00 0.00 0.00 175.30 174.79 2d8i s LEU 46 N -3.63 2.66 -0.11 2.53 2.01 -1.26 -1.39 118.68 119.49 2d8i s LEU 46 Ca 0.33 -0.54 -0.07 0.00 0.01 0.00 0.00 54.13 53.86 2d8i s LEU 46 Cb 0.03 -1.52 0.04 0.00 0.01 0.00 0.00 46.19 44.74 2d8i s LEU 46 CO 0.17 0.19 0.27 -0.31 1.01 0.00 0.00 176.35 177.68 2d8i s TYR 47 N -1.10 -0.35 -0.27 0.29 1.51 -0.78 -3.11 117.35 113.54 2d8i s TYR 47 Ca 0.17 0.82 -0.28 0.00 -1.01 0.00 0.00 57.07 56.77 2d8i s TYR 47 Cb -0.11 0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.80 2d8i s TYR 47 CO 0.09 -0.22 1.94 0.08 -1.11 0.00 0.00 175.55 176.33 2d8i s VAL 48 N 0.94 3.32 -0.03 0.71 1.01 -0.89 -0.33 120.40 125.12 2d8i s VAL 48 Ca -0.07 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2d8i s VAL 48 Cb -0.08 -3.41 -0.32 0.00 0.00 0.00 0.00 36.38 32.57 2d8i s VAL 48 CO -0.06 -0.25 0.81 -1.13 0.00 0.00 0.00 175.10 174.47 2d8i h ASN 49 N 13.42 0.64 -4.80 3.32 -0.73 -1.77 -1.46 115.58 124.20 2d8i h ASN 49 Ca -0.37 -0.92 -0.22 0.00 1.87 0.00 0.00 56.30 56.66 2d8i h ASN 49 Cb 1.19 -0.21 -0.15 0.00 0.27 0.00 0.00 38.32 39.43 2d8i h ASN 49 CO 1.00 1.67 -0.67 -0.55 -0.37 0.00 0.00 177.43 178.50 2d8i s SER 50 N -7.31 0.94 0.01 1.15 0.15 -1.25 -4.68 113.70 102.71 2d8i s SER 50 Ca -0.14 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.42 2d8i s SER 50 Cb 0.04 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.49 2d8i s SER 50 CO 0.87 -0.56 -0.02 -0.69 1.20 0.00 0.00 173.24 174.04 2d8i s VAL 51 N -3.75 0.13 -0.12 4.45 1.01 -1.25 -2.11 120.40 118.76 2d8i s VAL 51 Ca 0.17 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 2d8i s VAL 51 Cb 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.23 2d8i s VAL 51 CO -0.01 -0.10 1.89 -0.75 0.00 0.00 0.00 175.10 176.12 2d8i s LYS 52 N -0.42 3.76 0.12 2.72 2.20 -1.16 -4.77 119.74 122.19 2d8i s LYS 52 Ca -0.03 2.11 -0.31 0.00 -0.36 0.00 0.00 55.97 57.37 2d8i s LYS 52 Cb -0.03 -4.16 -0.09 0.00 -1.51 0.00 0.00 37.83 32.04 2d8i s LYS 52 CO -0.00 -1.36 1.65 -2.00 -0.36 0.00 0.00 175.35 173.28 2d8i s GLU 53 N 4.99 4.19 -1.15 4.03 2.12 -1.26 -2.26 118.70 129.36 2d8i s GLU 53 Ca 0.85 2.40 -0.07 0.00 0.36 0.00 0.00 54.97 58.50 2d8i s GLU 53 Cb -0.33 -3.41 0.06 0.00 0.26 0.00 0.00 34.13 30.71 2d8i s GLU 53 CO 0.35 -0.71 0.36 0.25 -0.54 0.00 0.00 175.26 174.97 2d8i n THR 54 N 4.42 -0.79 0.00 -1.70 -2.24 -1.26 -4.91 114.28 107.79 2d8i n THR 54 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2d8i n THR 54 Cb 0.39 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 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 -1.04 0.79 0.33 3.38 0.00 -0.96 -5.00 105.19 102.68 2d8i n GLY 55 Ca -0.03 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 1.57 -0.16 0.99 4.77 -1.26 -4.26 117.00 118.65 2d8i n LEU 56 Ca 0.00 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 2d8i n LEU 56 Cb 0.00 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.41 2d8i n LEU 56 CO 0.00 0.21 0.56 0.00 -1.33 0.00 0.00 177.39 176.83 2d8i h ALA 57 N -0.77 -0.44 0.02 -1.18 0.00 -1.96 -0.92 119.26 114.02 2d8i h ALA 57 Ca -0.39 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2d8i h ALA 57 Cb 1.27 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 2d8i h ALA 57 CO -0.24 -0.87 -0.04 1.03 0.00 0.00 0.00 179.25 179.13 2d8i h SER 58 N -0.30 -0.10 -0.79 0.00 0.87 -1.75 -0.55 113.55 110.93 2d8i h SER 58 Ca 0.15 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.82 2d8i h SER 58 Cb 0.58 0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.46 2d8i h SER 58 CO -0.62 -0.04 -0.38 0.29 -0.53 0.00 0.00 176.83 175.55 2d8i n LYS 59 N -2.57 -0.26 0.10 2.24 5.02 -1.09 -0.11 118.16 121.49 2d8i n LYS 59 Ca -0.01 1.21 -0.14 0.00 -2.02 0.00 0.00 58.31 57.35 2d8i n LYS 59 Cb 0.03 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.18 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 -0.63 0.00 1.97 1.79 -0.97 -3.46 116.57 115.28 2d8i h LYS 60 Ca 0.21 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2d8i h LYS 60 Cb 0.41 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2d8i h LYS 60 CO -0.77 -0.42 0.00 0.41 -1.08 0.00 0.00 179.45 177.59 2d8i n GLY 61 N -1.47 -1.36 3.18 3.86 0.00 0.84 -4.97 105.19 105.27 2d8i n GLY 61 Ca -0.07 0.37 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 2d8i n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d8i s LEU 62 N 0.00 2.41 0.02 0.99 1.43 -0.73 -4.96 118.68 117.84 2d8i s LEU 62 Ca 0.00 -0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 52.01 2d8i s LEU 62 Cb 0.00 -0.31 0.10 0.00 0.03 0.00 0.00 46.19 46.01 2d8i s LEU 62 CO 0.00 -0.26 0.88 -0.75 0.23 0.00 0.00 176.35 176.45 2d8i s LYS 63 N -2.79 0.89 -0.81 1.70 2.20 -1.26 -4.25 119.74 115.42 2d8i s LYS 63 Ca 0.06 -0.35 -0.25 0.00 -0.36 0.00 0.00 55.97 55.06 2d8i s LYS 63 Cb -0.03 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 2d8i s LYS 63 CO 0.00 -0.39 1.88 0.00 -0.36 0.00 0.00 175.35 176.48 2d8i s ALA 64 N -3.17 1.91 0.00 3.13 0.00 -1.26 -3.44 121.76 118.93 2d8i s ALA 64 Ca 0.06 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2d8i s ALA 64 Cb -0.01 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2d8i s ALA 64 CO -0.08 -4.42 0.00 0.41 0.00 0.00 0.00 175.76 171.67 2d8i n GLY 65 N 6.44 0.00 3.62 0.00 0.00 -0.55 -4.97 105.19 109.73 2d8i n GLY 65 Ca 0.32 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 2d8i n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d8i s ASP 66 N 0.00 4.04 -0.18 1.61 2.15 -1.22 -4.95 116.67 118.11 2d8i s ASP 66 Ca 0.00 -1.13 0.01 0.00 0.43 0.00 0.00 52.55 51.86 2d8i s ASP 66 Cb 0.00 -0.45 0.02 0.00 -0.30 0.00 0.00 42.92 42.19 2d8i s ASP 66 CO 0.00 -0.31 -0.18 -0.70 -0.17 0.00 0.00 175.17 173.81 2d8i s GLU 67 N -3.71 2.78 -0.29 4.34 2.56 -1.26 -2.09 118.70 121.02 2d8i s GLU 67 Ca 0.35 -0.84 -0.26 0.00 0.00 0.00 0.00 54.97 54.22 2d8i s GLU 67 Cb 0.03 -2.52 0.01 0.00 2.00 0.00 0.00 34.13 33.64 2d8i s GLU 67 CO 0.19 -0.25 0.91 0.42 -0.56 0.00 0.00 175.26 175.97 2d8i s ILE 68 N 1.31 4.69 -0.02 -3.70 -1.09 -1.18 -4.33 121.20 116.88 2d8i s ILE 68 Ca 0.04 1.50 -0.14 0.00 -2.23 0.00 0.00 60.65 59.82 2d8i s ILE 68 Cb -0.14 -4.25 -0.33 0.00 -1.58 0.00 0.00 42.46 36.17 2d8i s ILE 68 CO -0.12 -0.29 0.81 -0.07 -1.23 0.00 0.00 174.94 174.04 2d8i h LEU 69 N 9.62 0.68 -7.46 2.97 3.38 -1.47 -3.41 115.31 119.62 2d8i h LEU 69 Ca -0.22 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 56.76 2d8i h LEU 69 Cb 1.08 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 2d8i h LEU 69 CO 0.94 1.71 -0.12 -1.61 0.09 0.00 0.00 178.44 179.45 2d8i s GLU 70 N -2.56 1.02 -0.24 1.13 2.02 -1.24 -3.47 118.70 115.36 2d8i s GLU 70 Ca -0.13 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.11 2d8i s GLU 70 Cb 0.04 0.44 0.08 0.00 0.10 0.00 0.00 34.13 34.80 2d8i s GLU 70 CO 0.88 -0.38 0.09 0.42 0.02 0.00 0.00 175.26 176.29 2d8i s ILE 71 N -3.69 0.23 -1.07 -1.63 1.01 0.58 -1.66 121.20 114.97 2d8i s ILE 71 Ca 0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2d8i s ILE 71 Cb 0.02 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2d8i s ILE 71 CO -0.11 -0.47 0.89 0.59 0.00 0.00 0.00 174.94 175.84 2d8i n ASN 72 N 5.14 -2.43 -3.21 3.58 3.02 0.13 -2.75 115.26 118.74 2d8i n ASN 72 Ca -0.06 -0.54 -0.21 0.00 -0.03 0.00 0.00 54.58 53.74 2d8i n ASN 72 Cb 0.45 -4.55 0.07 0.00 -0.61 0.00 0.00 39.78 35.14 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 -2.83 -5.75 -3.82 6.41 5.03 -1.26 -5.01 115.26 108.03 2d8i n ASN 73 Ca -0.23 -0.47 -0.13 0.00 0.87 0.00 0.00 54.58 54.62 2d8i n ASN 73 Cb 0.64 -4.47 -0.13 0.00 -1.02 0.00 0.00 39.78 34.79 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 -6.13 0.11 0.23 3.52 1.81 -1.11 -5.13 118.95 112.25 2d8i s ARG 74 Ca 0.50 0.18 -0.30 0.00 -1.72 0.00 0.00 55.73 54.39 2d8i s ARG 74 Cb -0.22 0.01 -0.10 0.00 -0.45 0.00 0.00 34.95 34.19 2d8i s ARG 74 CO 0.64 -0.05 1.43 0.00 -0.68 0.00 0.00 175.30 176.64 2d8i s ALA 75 N 0.28 3.62 0.09 2.13 0.00 -1.26 -0.31 121.76 126.32 2d8i s ALA 75 Ca -0.02 1.29 -0.34 0.00 0.00 0.00 0.00 51.96 52.89 2d8i s ALA 75 Cb -0.03 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.38 2d8i s ALA 75 CO -0.01 -0.71 1.58 0.00 0.00 0.00 0.00 175.76 176.62 2d8i h ALA 76 N 5.29 -1.01 -0.86 0.00 0.00 -1.84 -2.21 119.26 118.62 2d8i h ALA 76 Ca -0.45 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.46 2d8i h ALA 76 Cb 1.22 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 19.56 2d8i h ALA 76 CO 0.79 -1.11 0.41 0.38 0.00 0.00 0.00 179.25 179.73 2d8i h ASP 77 N -0.92 0.44 -0.87 0.00 2.03 -1.89 0.12 116.42 115.34 2d8i h ASP 77 Ca -0.05 0.11 0.09 0.00 -0.73 0.00 0.00 57.03 56.46 2d8i h ASP 77 Cb 0.81 0.06 -0.06 0.00 -0.83 0.00 0.00 39.33 39.30 2d8i h ASP 77 CO -0.07 0.14 0.56 0.00 -1.03 0.00 0.00 179.24 178.84 2d8i h ALA 78 N 1.61 1.66 -2.49 4.15 0.00 -1.80 -3.41 119.26 118.99 2d8i h ALA 78 Ca 0.49 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.87 2d8i h ALA 78 Cb 0.79 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2d8i h ALA 78 CO -0.42 0.17 0.48 -0.51 0.00 0.00 0.00 179.25 178.97 2d8i s LEU 79 N -9.89 4.39 0.31 0.00 1.43 0.43 -5.04 118.68 110.30 2d8i s LEU 79 Ca -0.11 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 54.99 2d8i s LEU 79 Cb 0.21 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 2d8i s LEU 79 CO 0.79 -0.36 0.14 0.21 0.23 0.00 0.00 176.35 177.36 2d8i s ASN 80 N 0.82 4.87 0.26 2.29 2.47 -1.26 -4.87 114.94 119.52 2d8i s ASN 80 Ca 0.55 -0.62 0.03 0.00 0.42 0.00 0.00 52.86 53.24 2d8i s ASN 80 Cb -0.27 -0.90 0.67 0.00 -1.45 0.00 0.00 41.25 39.31 2d8i s ASN 80 CO 0.30 -0.20 1.28 -0.24 -3.72 0.00 0.00 177.10 174.52 2d8i n SER 81 N -1.13 -0.06 0.32 -4.21 2.88 -1.26 -0.18 113.62 109.98 2d8i n SER 81 Ca -0.04 1.38 -0.16 0.00 -1.33 0.00 0.00 58.87 58.72 2d8i n SER 81 Cb 0.60 -0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 63.46 2d8i n SER 81 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2d8i h SER 82 N 0.00 -1.04 -0.15 -3.46 0.87 -2.00 -1.67 113.55 106.10 2d8i h SER 82 Ca 0.51 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 61.19 2d8i h SER 82 Cb 1.10 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 63.32 2d8i h SER 82 CO -0.75 -0.59 -0.19 0.24 -0.53 0.00 0.00 176.83 175.01 2d8i h MET 83 N -0.93 -0.22 -0.79 2.24 2.86 -0.95 -2.03 114.93 115.10 2d8i h MET 83 Ca -0.08 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.76 2d8i h MET 83 Cb 0.76 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 32.33 2d8i h MET 83 CO 0.05 -0.15 0.01 -0.07 1.06 0.00 0.00 176.91 177.81 2d8i h LEU 84 N -0.23 -0.36 -0.20 1.22 3.38 -0.71 -0.86 115.31 117.55 2d8i h LEU 84 Ca 0.10 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.32 2d8i h LEU 84 Cb 0.38 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 2d8i h LEU 84 CO -0.28 -0.20 -0.51 0.50 0.09 0.00 0.00 178.44 178.04 2d8i h LYS 85 N 0.10 -0.50 -0.06 1.13 3.64 -0.54 0.96 116.57 121.31 2d8i h LYS 85 Ca 0.44 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.89 2d8i h LYS 85 Cb 0.79 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 2d8i h LYS 85 CO -0.70 -0.33 -0.21 0.22 -2.27 0.00 0.00 179.45 176.16 2d8i h ASP 86 N -0.52 -0.63 -0.35 4.20 3.58 -1.13 -1.86 116.42 119.71 2d8i h ASP 86 Ca 0.06 0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.68 2d8i h ASP 86 Cb 0.65 0.27 -0.09 0.00 1.72 0.00 0.00 39.33 41.89 2d8i h ASP 86 CO -0.47 -0.27 -0.34 -0.26 -2.88 0.00 0.00 179.24 175.02 2d8i h PHE 87 N -0.31 -0.96 -0.16 0.28 -1.00 -0.66 0.40 116.94 114.55 2d8i h PHE 87 Ca 0.08 0.06 0.05 0.00 2.81 0.00 0.00 57.97 60.96 2d8i h PHE 87 Cb 0.41 0.47 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 2d8i h PHE 87 CO -0.28 -0.40 0.20 -0.07 -1.61 0.00 0.00 178.31 176.15 2d8i h LEU 88 N -0.29 0.00 -3.39 1.54 3.38 -0.48 -0.86 115.31 115.20 2d8i h LEU 88 Ca 0.15 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.78 2d8i h LEU 88 Cb 0.55 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.13 2d8i h LEU 88 CO -0.51 0.00 0.44 -1.20 0.09 0.00 0.00 178.44 177.26 2d8i n SER 89 N -3.68 5.45 -4.42 -0.43 7.64 0.14 -4.78 113.62 113.55 2d8i n SER 89 Ca 0.01 -3.07 -0.30 0.00 1.01 0.00 0.00 58.87 56.52 2d8i n SER 89 Cb 0.31 -0.91 -0.13 0.00 -1.01 0.00 0.00 64.21 62.47 2d8i n SER 89 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2d8i s GLN 90 N -2.02 1.73 0.36 1.43 -1.52 -0.33 -5.00 119.66 114.30 2d8i s GLN 90 Ca 0.35 -1.18 0.27 0.00 -1.95 0.00 0.00 55.36 52.85 2d8i s GLN 90 Cb 0.28 -2.03 1.13 0.00 -0.22 0.00 0.00 33.01 32.17 2d8i s GLN 90 CO 0.02 0.49 1.81 -1.00 -0.25 0.00 0.00 175.29 176.36 2d8i h PRO 91 N 4.18 0.00 -3.10 2.91 0.13 -1.90 -3.42 132.00 130.79 2d8i h PRO 91 Ca -0.49 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 2d8i h PRO 91 Cb 1.16 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.97 2d8i h PRO 91 CO 0.44 0.00 -0.55 -1.54 -0.23 0.00 0.00 178.00 176.11 2d8i s SER 92 N -4.73 -0.00 0.05 1.44 1.04 -1.26 -0.53 113.70 109.70 2d8i s SER 92 Ca 0.03 0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.93 2d8i s SER 92 Cb 0.09 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 2d8i s SER 92 CO 0.44 -0.18 -0.15 -0.76 0.98 0.00 0.00 173.24 173.57 2d8i s LEU 93 N 1.49 2.19 -0.31 2.42 1.43 -0.13 -4.99 118.68 120.78 2d8i s LEU 93 Ca -0.06 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2d8i s LEU 93 Cb -0.11 -0.64 0.09 0.00 0.03 0.00 0.00 46.19 45.56 2d8i s LEU 93 CO -0.07 0.03 0.04 -0.83 0.23 0.00 0.00 176.35 175.75 2d8i s GLY 94 N -1.25 1.59 0.05 -3.19 0.00 -1.26 -0.37 107.32 102.90 2d8i s GLY 94 Ca 0.02 -2.08 -0.02 0.00 0.00 0.00 0.00 44.72 42.63 2d8i s GLY 94 CO 0.02 1.10 0.24 1.08 0.00 0.00 0.00 173.10 175.54 2d8i s LEU 95 N 1.18 4.35 -0.33 0.66 1.43 -0.39 0.21 118.68 125.78 2d8i s LEU 95 Ca 0.07 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 2d8i s LEU 95 Cb -0.19 -2.92 0.10 0.00 0.03 0.00 0.00 46.19 43.22 2d8i s LEU 95 CO -0.12 0.18 0.05 -0.22 0.23 0.00 0.00 176.35 176.47 2d8i s LEU 96 N -2.32 4.10 0.31 1.79 2.96 -0.66 -0.85 118.68 124.01 2d8i s LEU 96 Ca 0.34 -2.00 0.09 0.00 -0.22 0.00 0.00 54.13 52.34 2d8i s LEU 96 Cb -0.13 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 2d8i s LEU 96 CO 0.24 -0.38 0.01 0.68 -1.32 0.00 0.00 176.35 175.58 2d8i s VAL 97 N 1.08 3.02 0.08 1.68 -7.23 -1.15 -1.10 120.40 116.79 2d8i s VAL 97 Ca 0.10 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 2d8i s VAL 97 Cb -0.19 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 2d8i s VAL 97 CO -0.12 -0.28 0.14 -0.13 -0.31 0.00 0.00 175.10 174.40 2d8i s ARG 98 N -3.71 3.13 0.07 4.82 0.52 -1.26 -0.66 118.95 121.86 2d8i s ARG 98 Ca 0.34 -0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 54.87 2d8i s ARG 98 Cb -0.03 -2.86 -0.00 0.00 0.52 0.00 0.00 34.95 32.57 2d8i s ARG 98 CO 0.20 0.58 0.18 -0.08 0.02 0.00 0.00 175.30 176.20 2d8i s THR 99 N -1.47 0.13 0.01 0.02 -1.32 0.88 -4.93 115.64 108.97 2d8i s THR 99 Ca 0.32 -1.10 -0.26 0.00 -1.21 0.00 0.00 61.69 59.44 2d8i s THR 99 Cb -0.12 -1.18 -0.05 0.00 -1.51 0.00 0.00 72.50 69.64 2d8i s THR 99 CO 0.25 -0.61 0.81 -0.31 -2.21 0.00 0.00 174.62 172.55 2d8i s TYR 100 N -3.36 3.69 0.00 9.09 1.51 -1.26 -0.16 117.35 126.87 2d8i s TYR 100 Ca 0.01 1.49 -0.30 0.00 -1.01 0.00 0.00 57.07 57.26 2d8i s TYR 100 Cb 0.03 -2.89 -0.06 0.00 -0.11 0.00 0.00 41.96 38.92 2d8i s TYR 100 CO -0.08 0.17 1.45 -1.25 -1.11 0.00 0.00 175.55 174.72 2d8i s PRO 101 N 0.36 4.26 0.30 -1.71 0.04 -1.26 -4.94 135.00 132.05 2d8i s PRO 101 Ca 0.42 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.41 2d8i s PRO 101 Cb -0.20 -3.60 -0.00 0.00 0.04 0.00 0.00 34.50 30.74 2d8i s PRO 101 CO 0.23 -0.61 0.45 -1.21 0.04 0.00 0.00 177.00 175.90 2d8i s GLU 102 N 2.53 1.72 0.00 4.56 0.41 -1.26 -5.01 118.70 121.64 2d8i s GLU 102 Ca 0.66 -1.55 0.11 0.00 -0.41 0.00 0.00 54.97 53.78 2d8i s GLU 102 Cb -0.32 0.44 0.64 0.00 -1.78 0.00 0.00 34.13 33.11 2d8i s GLU 102 CO 0.27 -0.71 1.24 1.47 -0.49 0.00 0.00 175.26 177.05 2d8i n LEU 103 N -0.47 0.00 -2.31 1.80 -0.00 -1.26 -3.46 117.00 111.31 2d8i n LEU 103 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 2d8i n LEU 103 Cb 0.62 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.11 2d8i n LEU 103 CO 0.27 0.00 1.28 -1.84 -0.00 0.00 0.00 177.39 177.11 2d8i n GLU 104 N -0.71 2.82 -3.07 1.47 0.28 -1.26 -4.95 120.64 115.22 2d8i n GLU 104 Ca 0.08 -3.42 -0.43 0.00 -0.16 0.00 0.00 57.16 53.23 2d8i n GLU 104 Cb 0.04 -2.29 -0.06 0.00 1.43 0.00 0.00 31.44 30.56 2d8i n GLU 104 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2d8i s GLU 105 N -3.81 3.39 0.00 3.44 2.12 -1.22 -4.88 118.70 117.74 2d8i s GLU 105 Ca 0.63 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2d8i s GLU 105 Cb 0.49 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.96 2d8i s GLU 105 CO -0.02 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 2d8i n GLY 106 N 4.95 2.43 3.50 -1.50 0.00 -1.26 -5.07 105.19 108.23 2d8i n GLY 106 Ca -0.01 -0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 2d8i n GLY 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d8i n VAL 107 N 0.00 0.16 -1.83 1.61 0.31 -1.26 -4.82 118.33 112.50 2d8i n VAL 107 Ca 0.00 -0.37 -0.30 0.00 -0.01 0.00 0.00 64.34 63.66 2d8i n VAL 107 Cb 0.00 -1.95 0.04 0.00 -0.91 0.00 0.00 33.84 31.02 2d8i n VAL 107 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2d8i n GLU 108 N 8.48 3.20 -4.01 5.55 0.00 -1.26 -5.02 120.64 127.57 2d8i n GLU 108 Ca 0.40 -3.85 -0.21 0.00 0.00 0.00 0.00 57.16 53.49 2d8i n GLU 108 Cb 0.31 -2.28 -0.04 0.00 0.00 0.00 0.00 31.44 29.44 2d8i n GLU 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2d8i s SER 109 N -2.75 5.63 -0.28 4.31 1.04 -1.26 -5.13 113.70 115.27 2d8i s SER 109 Ca 0.55 -0.24 -0.27 0.00 0.48 0.00 0.00 55.95 56.48 2d8i s SER 109 Cb 0.45 -1.40 0.18 0.00 0.10 0.00 0.00 66.02 65.35 2d8i s SER 109 CO -0.05 -0.11 1.34 -0.83 0.98 0.00 0.00 173.24 174.57 2d8i s GLY 110 N -3.91 0.17 -0.45 7.32 0.00 -1.26 -5.11 107.32 104.07 2d8i s GLY 110 Ca 0.35 3.08 -0.28 0.00 0.00 0.00 0.00 44.72 47.87 2d8i s GLY 110 CO 0.26 1.55 1.76 2.56 0.00 0.00 0.00 173.10 179.23 2d8i s PRO 111 N -0.44 3.09 -0.52 2.90 0.04 -1.26 -4.91 135.00 133.90 2d8i s PRO 111 Ca 0.07 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 2d8i s PRO 111 Cb -0.03 -4.25 -0.08 0.00 0.04 0.00 0.00 34.50 30.18 2d8i s PRO 111 CO -0.11 -2.16 2.44 0.45 0.04 0.00 0.00 177.00 177.66 2d8i n SER 112 N 11.03 2.20 -4.81 6.66 2.88 -1.26 -4.93 113.62 125.40 2d8i n SER 112 Ca 0.21 -0.47 -0.37 0.00 -1.33 0.00 0.00 58.87 56.90 2d8i n SER 112 Cb 0.49 -1.55 -0.06 0.00 -0.75 0.00 0.00 64.21 62.34 2d8i n SER 112 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8i s SER 113 N 12.07 6.63 0.00 -3.46 0.01 -1.26 -5.35 113.70 122.34 2d8i s SER 113 Ca 1.00 0.75 0.00 0.00 1.31 0.00 0.00 55.95 59.02 2d8i s SER 113 Cb -0.24 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2d8i s SER 113 CO 0.28 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.79