#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 6.45 -0.23 1.61 1.04 -1.26 -5.01 113.70 116.30 2d8i s SER 2 Ca 0.00 0.53 -0.16 0.00 0.48 0.00 0.00 55.95 56.80 2d8i s SER 2 Cb 0.00 -2.12 -0.11 0.00 0.10 0.00 0.00 66.02 63.89 2d8i s SER 2 CO 0.00 0.33 -0.23 -1.20 0.98 0.00 0.00 173.24 173.11 2d8i n SER 3 N 2.34 1.92 0.00 7.02 7.64 -1.26 -5.13 113.62 126.16 2d8i n SER 3 Ca -0.17 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2d8i n SER 3 Cb 0.54 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.36 2.54 3.53 0.23 0.00 -1.26 -5.15 105.19 106.44 2d8i n GLY 4 Ca -0.38 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.55 2d8i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8i s SER 5 N 0.00 -0.42 0.07 1.61 1.04 -1.26 -5.19 113.70 109.55 2d8i s SER 5 Ca 0.00 0.25 -0.13 0.00 0.48 0.00 0.00 55.95 56.55 2d8i s SER 5 Cb 0.00 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2d8i s SER 5 CO 0.00 -0.53 0.29 -0.55 0.98 0.00 0.00 173.24 173.42 2d8i s SER 6 N -1.80 -0.07 0.00 7.02 0.15 -1.26 -5.06 113.70 112.67 2d8i s SER 6 Ca 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2d8i s SER 6 Cb -0.01 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2d8i s SER 6 CO -0.03 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2d8i n GLY 7 N 0.31 0.19 3.97 9.45 0.00 -1.26 -5.16 105.19 112.69 2d8i n GLY 7 Ca -0.17 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 3.34 -0.17 1.61 1.03 -1.26 -5.10 118.70 118.14 2d8i s GLU 8 Ca 0.00 -0.84 -0.07 0.00 0.03 0.00 0.00 54.97 54.10 2d8i s GLU 8 Cb 0.00 -2.86 -0.04 0.00 -0.80 0.00 0.00 34.13 30.43 2d8i s GLU 8 CO 0.00 0.33 0.06 0.42 -1.33 0.00 0.00 175.26 174.74 2d8i s ILE 9 N -2.04 4.76 0.32 1.83 1.01 -1.26 -5.04 121.20 120.78 2d8i s ILE 9 Ca 0.37 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.01 2d8i s ILE 9 Cb -0.09 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2d8i s ILE 9 CO 0.29 0.49 0.20 -1.83 0.00 0.00 0.00 174.94 174.09 2d8i s GLU 10 N 0.15 1.66 0.15 2.79 1.03 -1.26 -5.06 118.70 118.16 2d8i s GLU 10 Ca 0.04 -1.96 -0.17 0.00 0.03 0.00 0.00 54.97 52.91 2d8i s GLU 10 Cb -0.12 0.03 0.03 0.00 -0.80 0.00 0.00 34.13 33.27 2d8i s GLU 10 CO 0.01 -0.53 1.76 0.82 -1.33 0.00 0.00 175.26 175.99 2d8i h ILE 11 N 2.17 0.94 -3.31 1.83 2.04 -2.06 -3.33 117.51 115.79 2d8i h ILE 11 Ca -0.31 -0.10 -0.64 0.00 1.00 0.00 0.00 64.86 64.81 2d8i h ILE 11 Cb 1.25 0.64 -0.40 0.00 -0.74 0.00 0.00 36.82 37.56 2d8i h ILE 11 CO 0.47 0.05 -0.56 0.00 0.00 0.00 0.00 178.15 178.11 2d8i s PRO 13 N -0.67 2.55 0.69 0.00 0.04 -1.25 -4.95 135.00 131.40 2d8i s PRO 13 Ca 0.20 -0.43 -0.10 0.00 0.04 0.00 0.00 61.00 60.71 2d8i s PRO 13 Cb -0.18 -5.09 0.16 0.00 0.04 0.00 0.00 34.50 29.42 2d8i s PRO 13 CO -0.06 -3.47 0.94 1.63 0.04 0.00 0.00 177.00 176.08 2d8i n LYS 14 N 8.77 -0.80 -4.25 4.56 4.01 -1.26 -4.72 118.16 124.46 2d8i n LYS 14 Ca 0.41 -1.57 -0.17 0.00 -0.51 0.00 0.00 58.31 56.46 2d8i n LYS 14 Cb 0.47 -0.93 -0.13 0.00 -0.51 0.00 0.00 35.03 33.93 2d8i n LYS 14 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2d8i s VAL 15 N -2.99 0.77 -0.16 -0.18 -7.23 -0.20 -4.94 120.40 105.46 2d8i s VAL 15 Ca 0.54 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.82 2d8i s VAL 15 Cb -0.02 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 2d8i s VAL 15 CO 0.38 -0.03 0.28 0.42 -0.31 0.00 0.00 175.10 175.84 2d8i s THR 16 N -0.71 5.31 -0.20 5.32 -4.23 -1.26 -1.37 115.64 118.50 2d8i s THR 16 Ca -0.01 0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2d8i s THR 16 Cb -0.06 -3.62 -0.00 0.00 1.34 0.00 0.00 72.50 70.16 2d8i s THR 16 CO 0.00 0.40 -0.09 0.00 -0.54 0.00 0.00 174.62 174.39 2d8i s GLN 17 N 0.44 3.27 -0.21 3.99 -2.07 -0.91 -5.01 119.66 119.16 2d8i s GLN 17 Ca 0.16 -0.69 -0.29 0.00 -1.82 0.00 0.00 55.36 52.72 2d8i s GLN 17 Cb -0.13 -2.86 0.00 0.00 -1.09 0.00 0.00 33.01 28.94 2d8i s GLN 17 CO 0.03 -0.17 1.07 -1.54 -1.32 0.00 0.00 175.29 173.37 2d8i s SER 18 N 1.33 7.09 -0.30 12.60 1.04 -1.26 -3.58 113.70 130.62 2d8i s SER 18 Ca 0.04 1.44 0.03 0.00 0.48 0.00 0.00 55.95 57.95 2d8i s SER 18 Cb -0.14 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.52 2d8i s SER 18 CO -0.05 -0.66 -0.03 -0.63 0.98 0.00 0.00 173.24 172.85 2d8i s ILE 19 N 3.11 2.25 -0.28 -1.02 1.01 -0.73 -5.02 121.20 120.52 2d8i s ILE 19 Ca 0.46 -1.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.01 2d8i s ILE 19 Cb -0.16 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 2d8i s ILE 19 CO 0.08 -0.32 0.17 -1.00 0.00 0.00 0.00 174.94 173.88 2d8i s HIS 20 N 1.00 3.20 -0.29 3.97 3.76 -1.26 -1.17 115.29 124.51 2d8i s HIS 20 Ca 0.01 0.04 -0.10 0.00 -0.15 0.00 0.00 55.06 54.87 2d8i s HIS 20 Cb -0.20 -2.36 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 2d8i s HIS 20 CO -0.06 -0.19 0.16 0.42 -0.85 0.00 0.00 174.74 174.22 2d8i s ILE 21 N 1.74 4.89 -0.06 0.60 1.01 0.84 -4.94 121.20 125.28 2d8i s ILE 21 Ca 0.07 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.63 2d8i s ILE 21 Cb -0.16 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 2d8i s ILE 21 CO 0.10 0.18 -0.13 -0.70 0.00 0.00 0.00 174.94 174.39 2d8i s GLU 22 N 1.68 2.61 0.09 2.79 2.12 -1.26 -1.35 118.70 125.38 2d8i s GLU 22 Ca 0.06 -0.67 0.07 0.00 0.36 0.00 0.00 54.97 54.79 2d8i s GLU 22 Cb -0.16 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 2d8i s GLU 22 CO 0.08 0.60 -0.14 0.15 -0.54 0.00 0.00 175.26 175.41 2d8i s LYS 23 N -0.66 2.03 -0.08 4.30 1.02 -0.56 -5.00 119.74 120.79 2d8i s LYS 23 Ca 0.10 -1.04 -0.15 0.00 0.02 0.00 0.00 55.97 54.89 2d8i s LYS 23 Cb -0.11 -2.23 -0.12 0.00 -0.52 0.00 0.00 37.83 34.85 2d8i s LYS 23 CO 0.01 0.51 0.57 0.66 -0.92 0.00 0.00 175.35 176.18 2d8i h SER 24 N 3.91 -0.15 -3.10 2.83 4.64 -1.93 -3.44 113.55 116.29 2d8i h SER 24 Ca -0.49 -0.29 -0.56 0.00 -0.47 0.00 0.00 61.79 59.99 2d8i h SER 24 Cb 1.16 0.04 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 2d8i h SER 24 CO 0.49 0.43 -0.76 -1.81 -0.87 0.00 0.00 176.83 174.31 2d8i s ASP 25 N -5.51 3.65 0.24 4.97 1.01 -1.26 -5.01 116.67 114.77 2d8i s ASP 25 Ca -0.09 -1.36 -0.04 0.00 0.71 0.00 0.00 52.55 51.77 2d8i s ASP 25 Cb -0.00 -0.69 0.44 0.00 1.01 0.00 0.00 42.92 43.68 2d8i s ASP 25 CO 0.33 -0.39 1.77 0.71 0.21 0.00 0.00 175.17 177.79 2d8i h THR 26 N 6.48 0.77 -0.34 -1.27 1.35 -1.86 0.16 112.91 118.21 2d8i h THR 26 Ca -0.16 -0.20 0.03 0.00 -0.55 0.00 0.00 66.41 65.53 2d8i h THR 26 Cb 1.04 0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.54 2d8i h THR 26 CO 0.43 0.11 -0.20 0.00 -0.25 0.00 0.00 175.52 175.61 2d8i n ALA 27 N -2.43 -0.22 -0.04 6.62 0.00 -1.26 -3.55 120.51 119.64 2d8i n ALA 27 Ca 0.14 0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 2d8i n ALA 27 Cb 0.36 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 2d8i n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8i h ALA 28 N -0.22 0.00 -2.72 0.00 0.00 -1.96 -3.46 119.26 110.89 2d8i h ALA 28 Ca 0.05 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 54.09 2d8i h ALA 28 Cb 0.14 0.25 0.07 0.00 0.00 0.00 0.00 17.79 18.24 2d8i h ALA 28 CO -0.32 0.25 0.92 -0.51 0.00 0.00 0.00 179.25 179.59 2d8i s ASP 29 N -4.69 6.43 -0.19 0.00 1.11 0.03 -5.00 116.67 114.36 2d8i s ASP 29 Ca -0.07 2.85 -0.13 0.00 0.18 0.00 0.00 52.55 55.37 2d8i s ASP 29 Cb 0.01 -2.62 0.06 0.00 1.07 0.00 0.00 42.92 41.44 2d8i s ASP 29 CO 0.11 -0.90 0.48 0.28 1.18 0.00 0.00 175.17 176.31 2d8i s THR 30 N 0.56 -0.01 1.02 -1.27 -1.32 -1.26 -3.90 115.64 109.46 2d8i s THR 30 Ca 0.68 0.04 -0.20 0.00 -1.21 0.00 0.00 61.69 61.00 2d8i s THR 30 Cb -0.47 -0.68 -0.07 0.00 -1.51 0.00 0.00 72.50 69.76 2d8i s THR 30 CO 0.40 0.02 -0.63 -1.22 -2.21 0.00 0.00 174.62 170.97 2d8i n TYR 31 N 3.59 -2.38 -1.53 9.09 4.01 -1.26 -4.95 117.16 123.73 2d8i n TYR 31 Ca -0.18 0.28 0.02 0.00 -0.16 0.00 0.00 57.90 57.85 2d8i n TYR 31 Cb 0.56 -1.51 0.02 0.00 -0.31 0.00 0.00 39.34 38.11 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 2.78 0.75 3.62 2.72 0.00 -1.26 -4.97 105.19 108.82 2d8i n GLY 32 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.56 2.97 0.16 1.61 -0.71 -1.26 -2.14 117.98 118.05 2d8i s PHE 33 Ca 0.06 0.03 0.06 0.00 -1.04 0.00 0.00 56.93 56.04 2d8i s PHE 33 Cb 0.05 -1.68 -0.04 0.00 -1.21 0.00 0.00 43.02 40.14 2d8i s PHE 33 CO 0.01 0.39 -0.12 0.45 -1.34 0.00 0.00 175.22 174.60 2d8i s SER 34 N -1.18 2.10 0.14 1.98 0.15 -0.84 -4.95 113.70 111.09 2d8i s SER 34 Ca 0.16 -0.97 0.09 0.00 0.70 0.00 0.00 55.95 55.93 2d8i s SER 34 Cb -0.11 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 2d8i s SER 34 CO 0.05 -0.24 -0.17 -0.76 1.20 0.00 0.00 173.24 173.33 2d8i s LEU 35 N -3.07 2.72 -0.15 3.45 1.43 -1.26 0.80 118.68 122.60 2d8i s LEU 35 Ca 0.17 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2d8i s LEU 35 Cb -0.00 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2d8i s LEU 35 CO 0.03 0.16 -0.20 -0.55 0.23 0.00 0.00 176.35 176.02 2d8i s SER 36 N -2.35 3.22 -0.10 2.29 0.15 0.29 -4.77 113.70 112.43 2d8i s SER 36 Ca 0.20 -0.59 -0.27 0.00 0.70 0.00 0.00 55.95 55.99 2d8i s SER 36 Cb -0.10 -1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 2d8i s SER 36 CO 0.11 0.06 0.87 -0.94 1.20 0.00 0.00 173.24 174.54 2d8i s SER 37 N 0.94 7.11 -0.08 5.45 1.04 -1.26 -2.26 113.70 124.64 2d8i s SER 37 Ca -0.04 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.74 2d8i s SER 37 Cb -0.15 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.51 2d8i s SER 37 CO -0.04 -0.32 -0.03 -0.69 0.98 0.00 0.00 173.24 173.14 2d8i s VAL 38 N 1.59 0.61 -0.20 5.02 1.01 0.55 -4.98 120.40 123.99 2d8i s VAL 38 Ca 0.43 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 2d8i s VAL 38 Cb -0.18 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2d8i s VAL 38 CO 0.18 0.30 0.37 -0.70 0.00 0.00 0.00 175.10 175.25 2d8i s GLU 39 N 1.84 4.18 -0.26 2.72 -6.30 -1.26 -0.34 118.70 119.28 2d8i s GLU 39 Ca 0.04 0.16 -0.02 0.00 -2.50 0.00 0.00 54.97 52.65 2d8i s GLU 39 Cb -0.12 -3.52 0.08 0.00 0.00 0.00 0.00 34.13 30.57 2d8i s GLU 39 CO -0.06 0.01 0.08 -2.00 0.02 0.00 0.00 175.26 173.30 2d8i s GLU 40 N 1.18 0.59 -0.97 4.30 -6.30 -0.18 -4.81 118.70 112.52 2d8i s GLU 40 Ca 0.18 -0.72 -0.02 0.00 -2.50 0.00 0.00 54.97 51.91 2d8i s GLU 40 Cb -0.14 -1.89 0.00 0.00 0.00 0.00 0.00 34.13 32.10 2d8i s GLU 40 CO 0.07 -0.86 0.30 -3.47 0.02 0.00 0.00 175.26 171.33 2d8i n ASP 41 N 5.00 -4.27 0.00 -1.70 2.03 -1.26 -2.43 116.55 113.92 2d8i n ASP 41 Ca -0.05 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.11 2d8i n ASP 41 Cb 0.44 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.64 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d8i n GLY 42 N -1.18 3.07 3.58 0.27 0.00 -1.26 -5.00 105.19 104.67 2d8i n GLY 42 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.93 4.31 -0.45 -0.61 1.01 -1.02 -5.00 121.20 117.51 2d8i s ILE 43 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.39 2d8i s ILE 43 Cb 0.00 -4.54 0.02 0.00 0.01 0.00 0.00 42.46 37.95 2d8i s ILE 43 CO 0.00 -0.97 0.85 -0.60 0.00 0.00 0.00 174.94 174.23 2d8i s ARG 44 N 4.19 3.51 0.45 2.79 3.00 -1.26 -1.01 118.95 130.61 2d8i s ARG 44 Ca 0.43 0.07 0.07 0.00 -1.00 0.00 0.00 55.73 55.30 2d8i s ARG 44 Cb -0.08 -3.92 -0.02 0.00 0.00 0.00 0.00 34.95 30.93 2d8i s ARG 44 CO 0.29 -1.14 0.33 1.03 0.00 0.00 0.00 175.30 175.81 2d8i s ARG 45 N 3.49 2.37 0.08 5.12 0.52 0.54 -4.17 118.95 126.90 2d8i s ARG 45 Ca 0.33 -1.75 0.01 0.00 -0.52 0.00 0.00 55.73 53.81 2d8i s ARG 45 Cb -0.11 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 2d8i s ARG 45 CO 0.24 -0.27 -0.06 -0.51 0.02 0.00 0.00 175.30 174.71 2d8i s LEU 46 N -4.10 2.45 -0.07 2.53 1.02 -1.26 -0.33 118.68 118.92 2d8i s LEU 46 Ca 0.43 -0.90 -0.15 0.00 0.02 0.00 0.00 54.13 53.53 2d8i s LEU 46 Cb -0.01 -0.03 0.03 0.00 0.02 0.00 0.00 46.19 46.20 2d8i s LEU 46 CO 0.25 -0.43 0.36 -0.31 0.02 0.00 0.00 176.35 176.24 2d8i s TYR 47 N -3.16 -0.31 -0.50 0.29 2.02 -0.96 -3.80 117.35 110.93 2d8i s TYR 47 Ca 0.06 0.64 -0.27 0.00 -0.37 0.00 0.00 57.07 57.13 2d8i s TYR 47 Cb 0.02 0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.68 2d8i s TYR 47 CO -0.05 -0.32 2.08 0.08 -1.57 0.00 0.00 175.55 175.77 2d8i s VAL 48 N -0.68 3.22 0.02 0.71 1.01 -0.52 -0.55 120.40 123.61 2d8i s VAL 48 Ca -0.08 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 2d8i s VAL 48 Cb -0.04 -3.50 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 2d8i s VAL 48 CO 0.03 -0.45 1.09 -1.13 0.00 0.00 0.00 175.10 174.65 2d8i h ASN 49 N 16.38 -0.66 -3.39 3.32 -1.24 0.11 -3.32 115.58 126.79 2d8i h ASN 49 Ca -0.27 0.02 -0.44 0.00 0.71 0.00 0.00 56.30 56.32 2d8i h ASN 49 Cb 1.21 0.17 -0.14 0.00 0.73 0.00 0.00 38.32 40.29 2d8i h ASN 49 CO 1.15 -0.39 -0.65 -0.44 -1.29 0.00 0.00 177.43 175.82 2d8i s SER 50 N -3.79 2.29 0.07 1.15 0.01 -1.20 -4.73 113.70 107.49 2d8i s SER 50 Ca -0.11 -1.25 0.06 0.00 1.31 0.00 0.00 55.95 55.95 2d8i s SER 50 Cb 0.01 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 2d8i s SER 50 CO 0.34 -0.48 -0.16 -0.69 0.41 0.00 0.00 173.24 172.66 2d8i s VAL 51 N -3.25 1.24 0.13 3.43 1.01 -1.25 -1.99 120.40 119.72 2d8i s VAL 51 Ca 0.31 -1.25 -0.32 0.00 0.00 0.00 0.00 61.98 60.72 2d8i s VAL 51 Cb 0.06 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.17 2d8i s VAL 51 CO 0.12 -0.11 1.80 1.17 0.00 0.00 0.00 175.10 178.08 2d8i n LYS 52 N 1.45 2.70 -1.54 2.72 4.81 -0.91 -4.68 118.16 122.70 2d8i n LYS 52 Ca -0.20 0.98 -0.46 0.00 -0.87 0.00 0.00 58.31 57.76 2d8i n LYS 52 Cb 0.54 -2.85 -0.05 0.00 0.02 0.00 0.00 35.03 32.69 2d8i n LYS 52 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2d8i n GLU 53 N 5.24 1.64 -3.36 1.64 4.07 -1.26 -2.11 120.64 126.50 2d8i n GLU 53 Ca 0.18 0.45 -0.19 0.00 -0.06 0.00 0.00 57.16 57.54 2d8i n GLU 53 Cb 0.36 -2.93 -0.03 0.00 -0.06 0.00 0.00 31.44 28.78 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 7.45 -0.14 0.00 6.31 5.66 -1.26 -4.87 114.28 127.43 2d8i n THR 54 Ca 0.34 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 2d8i n THR 54 Cb 0.36 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 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 -0.80 0.70 0.10 1.09 0.00 -0.90 -4.95 105.19 100.43 2d8i n GLY 55 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -0.22 0.99 4.77 -1.26 -4.25 117.00 117.02 2d8i n LEU 56 Ca 0.00 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.18 2d8i n LEU 56 Cb 0.00 -0.40 0.37 0.00 -2.33 0.00 0.00 43.42 41.06 2d8i n LEU 56 CO 0.00 -0.45 0.70 0.00 -1.33 0.00 0.00 177.39 176.31 2d8i n ALA 57 N -2.40 0.65 0.48 -1.18 0.00 -1.26 0.50 120.51 117.30 2d8i n ALA 57 Ca 0.00 0.71 -0.19 0.00 0.00 0.00 0.00 53.44 53.96 2d8i n ALA 57 Cb 0.00 -0.67 -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 -1.12 -0.52 0.00 0.87 -1.81 -1.59 113.55 109.37 2d8i h SER 58 Ca 0.56 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 61.15 2d8i h SER 58 Cb 1.43 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.67 2d8i h SER 58 CO -0.55 -0.76 0.29 0.07 -0.53 0.00 0.00 176.83 175.35 2d8i h LYS 59 N -1.24 0.73 -0.76 2.24 2.10 -0.13 -2.98 116.57 116.53 2d8i h LYS 59 Ca -0.12 -0.08 0.13 0.00 -2.00 0.00 0.00 60.65 58.58 2d8i h LYS 59 Cb 0.97 -0.14 -0.14 0.00 -0.90 0.00 0.00 32.23 32.01 2d8i h LYS 59 CO 0.18 0.56 -0.32 -0.22 -2.00 0.00 0.00 179.45 177.65 2d8i h LYS 60 N 0.70 -0.07 0.00 0.07 1.63 -0.54 -3.45 116.57 114.91 2d8i h LYS 60 Ca 0.19 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2d8i h LYS 60 Cb 0.04 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2d8i h LYS 60 CO -0.03 -0.05 0.00 0.41 -3.45 0.00 0.00 179.45 176.33 2d8i n GLY 61 N -1.47 0.00 2.14 5.01 0.00 -0.97 -4.78 105.19 105.12 2d8i n GLY 61 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -3.55 0.99 4.77 -0.64 -5.05 117.00 113.52 2d8i n LEU 62 Ca 0.00 -1.62 -0.07 0.00 -0.03 0.00 0.00 56.01 54.29 2d8i n LEU 62 Cb 0.00 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2d8i n LEU 62 CO 0.00 -0.43 0.83 -0.75 -1.33 0.00 0.00 177.39 175.70 2d8i s LYS 63 N -3.26 0.59 -0.09 3.23 2.47 -1.26 -4.80 119.74 116.62 2d8i s LYS 63 Ca 0.17 -0.17 0.01 0.00 -1.56 0.00 0.00 55.97 54.41 2d8i s LYS 63 Cb -0.01 0.27 0.13 0.00 -1.46 0.00 0.00 37.83 36.76 2d8i s LYS 63 CO 0.11 -0.25 1.17 0.00 0.16 0.00 0.00 175.35 176.54 2d8i n ALA 64 N -0.05 3.10 -2.00 3.13 0.00 -1.26 -3.40 120.51 120.02 2d8i n ALA 64 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2d8i n ALA 64 Cb 0.60 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.18 0.63 3.81 0.00 0.00 -1.25 -4.71 105.19 103.85 2d8i n GLY 65 Ca 0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.76 4.49 -0.02 1.61 1.01 -1.22 -4.97 116.67 116.81 2d8i s ASP 66 Ca 0.00 -1.23 0.06 0.00 0.71 0.00 0.00 52.55 52.09 2d8i s ASP 66 Cb 0.00 0.04 -0.01 0.00 1.01 0.00 0.00 42.92 43.96 2d8i s ASP 66 CO -0.00 -0.82 -0.18 -1.83 0.21 0.00 0.00 175.17 172.54 2d8i s GLU 67 N -4.06 1.53 -0.30 8.23 1.03 -1.26 -1.44 118.70 122.44 2d8i s GLU 67 Ca 0.32 -0.66 -0.16 0.00 0.03 0.00 0.00 54.97 54.51 2d8i s GLU 67 Cb 0.01 -1.46 -0.02 0.00 -0.80 0.00 0.00 34.13 31.85 2d8i s GLU 67 CO 0.19 0.38 0.43 0.42 -1.33 0.00 0.00 175.26 175.35 2d8i s ILE 68 N -0.38 5.12 -0.02 1.83 1.09 -1.25 -3.83 121.20 123.76 2d8i s ILE 68 Ca 0.06 0.51 -0.23 0.00 -1.10 0.00 0.00 60.65 59.89 2d8i s ILE 68 Cb -0.08 -3.80 -0.16 0.00 -1.06 0.00 0.00 42.46 37.36 2d8i s ILE 68 CO -0.00 0.02 1.02 -0.07 -0.10 0.00 0.00 174.94 175.81 2d8i h LEU 69 N 8.77 -0.26 -8.47 2.97 3.38 0.36 -3.44 115.31 118.62 2d8i h LEU 69 Ca -0.30 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.23 2d8i h LEU 69 Cb 1.15 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 2d8i h LEU 69 CO 0.69 0.20 -0.46 -1.61 0.09 0.00 0.00 178.44 177.35 2d8i s GLU 70 N -3.96 1.30 -0.16 1.13 2.02 -1.01 -3.47 118.70 114.54 2d8i s GLU 70 Ca -0.13 -1.50 -0.05 0.00 0.02 0.00 0.00 54.97 53.31 2d8i s GLU 70 Cb 0.01 0.33 0.06 0.00 0.10 0.00 0.00 34.13 34.63 2d8i s GLU 70 CO 0.50 -0.46 0.09 0.42 0.02 0.00 0.00 175.26 175.82 2d8i s ILE 71 N -4.11 -0.09 -1.45 -1.63 1.01 -0.34 -0.97 121.20 113.62 2d8i s ILE 71 Ca 0.33 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.78 2d8i s ILE 71 Cb 0.05 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.99 2d8i s ILE 71 CO 0.11 -0.25 0.95 0.59 0.00 0.00 0.00 174.94 176.33 2d8i n ASN 72 N 5.28 -6.13 -1.71 3.58 4.13 0.26 -2.33 115.26 118.33 2d8i n ASN 72 Ca -0.07 -0.46 -0.08 0.00 1.68 0.00 0.00 54.58 55.65 2d8i n ASN 72 Cb 0.49 -4.88 0.03 0.00 -1.54 0.00 0.00 39.78 33.88 2d8i n ASN 72 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2d8i n ASN 73 N -2.81 -3.01 -3.90 6.41 2.85 -1.26 -5.06 115.26 108.49 2d8i n ASN 73 Ca -0.03 -0.21 -0.11 0.00 -0.11 0.00 0.00 54.58 54.12 2d8i n ASN 73 Cb 0.58 -2.15 -0.13 0.00 1.24 0.00 0.00 39.78 39.32 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 -5.11 0.12 -0.11 1.20 1.81 -0.99 -5.13 118.95 110.74 2d8i s ARG 74 Ca 0.13 -0.18 -0.30 0.00 -1.72 0.00 0.00 55.73 53.67 2d8i s ARG 74 Cb -0.06 0.05 -0.02 0.00 -0.45 0.00 0.00 34.95 34.47 2d8i s ARG 74 CO 0.26 -0.02 1.19 0.00 -0.68 0.00 0.00 175.30 176.05 2d8i s ALA 75 N -0.47 3.56 0.23 2.13 0.00 -1.26 -1.20 121.76 124.75 2d8i s ALA 75 Ca -0.05 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 2d8i s ALA 75 Cb -0.03 -3.55 0.39 0.00 0.00 0.00 0.00 23.12 19.93 2d8i s ALA 75 CO -0.00 -0.91 1.68 0.00 0.00 0.00 0.00 175.76 176.53 2d8i h ALA 76 N 7.67 0.83 -0.91 0.00 0.00 -1.86 0.73 119.26 125.72 2d8i h ALA 76 Ca -0.30 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2d8i h ALA 76 Cb 1.13 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 2d8i h ALA 76 CO 0.92 -0.34 0.57 -0.44 0.00 0.00 0.00 179.25 179.96 2d8i h ASP 77 N 0.24 0.92 0.23 0.00 5.19 -1.88 -1.13 116.42 119.98 2d8i h ASP 77 Ca 0.38 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.72 2d8i h ASP 77 Cb 0.62 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 2d8i h ASP 77 CO -0.49 0.59 -0.30 0.00 -3.12 0.00 0.00 179.24 175.92 2d8i h ALA 78 N 1.41 1.39 -2.75 3.45 0.00 -1.27 -3.42 119.26 118.07 2d8i h ALA 78 Ca 0.39 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 54.43 2d8i h ALA 78 Cb 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2d8i h ALA 78 CO -0.16 0.44 -0.01 -0.51 0.00 0.00 0.00 179.25 179.01 2d8i s LEU 79 N -8.40 4.40 0.40 0.00 1.43 -0.43 -5.04 118.68 111.04 2d8i s LEU 79 Ca -0.04 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.29 2d8i s LEU 79 Cb 0.15 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 2d8i s LEU 79 CO 0.73 0.07 0.27 0.54 0.23 0.00 0.00 176.35 178.20 2d8i s ASN 80 N -0.05 4.81 0.47 2.29 2.20 -1.26 -4.87 114.94 118.52 2d8i s ASN 80 Ca 0.32 -0.84 0.38 0.00 -0.94 0.00 0.00 52.86 51.78 2d8i s ASN 80 Cb -0.18 -0.60 1.55 0.00 -2.00 0.00 0.00 41.25 40.02 2d8i s ASN 80 CO 0.17 -0.54 1.53 -1.54 -2.94 0.00 0.00 177.10 173.78 2d8i n SER 81 N -1.37 0.13 0.03 3.54 3.41 -1.26 -1.11 113.62 116.99 2d8i n SER 81 Ca 0.01 1.22 -0.01 0.00 -0.26 0.00 0.00 58.87 59.82 2d8i n SER 81 Cb 0.62 -0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.07 -0.95 4.04 0.87 -2.01 -2.94 113.55 112.49 2d8i h SER 82 Ca 0.89 0.00 0.28 0.00 -1.23 0.00 0.00 61.79 61.73 2d8i h SER 82 Cb 3.12 0.02 -0.17 0.00 -0.44 0.00 0.00 62.40 64.93 2d8i h SER 82 CO -0.29 -0.02 0.17 0.24 -0.53 0.00 0.00 176.83 176.39 2d8i h MET 83 N -0.14 0.07 -0.31 2.24 2.86 -1.49 0.32 114.93 118.48 2d8i h MET 83 Ca -0.01 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2d8i h MET 83 Cb 0.07 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 2d8i h MET 83 CO 0.01 0.05 -0.12 -0.07 1.06 0.00 0.00 176.91 177.84 2d8i h LEU 84 N 0.07 -0.43 -0.58 1.22 3.38 -1.30 -2.28 115.31 115.40 2d8i h LEU 84 Ca 0.62 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.80 2d8i h LEU 84 Cb 1.34 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 42.22 2d8i h LEU 84 CO -0.81 -0.16 -0.33 0.11 0.09 0.00 0.00 178.44 177.34 2d8i h LYS 85 N -0.07 -0.16 -0.49 1.13 1.79 -0.17 -0.66 116.57 117.94 2d8i h LYS 85 Ca 0.16 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.73 2d8i h LYS 85 Cb 0.31 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.89 2d8i h LYS 85 CO -0.35 -0.11 -0.27 -0.44 -1.08 0.00 0.00 179.45 177.20 2d8i h ASP 86 N -0.17 -0.92 -0.43 0.86 5.19 -1.30 -1.32 116.42 118.34 2d8i h ASP 86 Ca 0.23 0.19 0.09 0.00 -0.62 0.00 0.00 57.03 56.92 2d8i h ASP 86 Cb 0.55 0.47 -0.09 0.00 0.18 0.00 0.00 39.33 40.43 2d8i h ASP 86 CO -0.67 -0.28 -0.28 -0.26 -3.12 0.00 0.00 179.24 174.63 2d8i h PHE 87 N -0.16 -0.75 -0.80 4.55 0.04 -0.92 0.32 116.94 119.22 2d8i h PHE 87 Ca 0.22 0.05 0.22 0.00 2.80 0.00 0.00 57.97 61.27 2d8i h PHE 87 Cb 0.51 0.39 -0.04 0.00 2.20 0.00 0.00 35.95 39.02 2d8i h PHE 87 CO -0.53 -0.35 0.57 -0.07 -0.60 0.00 0.00 178.31 177.32 2d8i h LEU 88 N -0.20 0.05 -1.88 1.54 3.38 -0.74 0.37 115.31 117.84 2d8i h LEU 88 Ca 0.19 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2d8i h LEU 88 Cb 0.51 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2d8i h LEU 88 CO -0.54 0.02 -0.10 -1.28 0.09 0.00 0.00 178.44 176.63 2d8i h SER 89 N 0.05 0.00 -3.89 -0.43 0.87 0.14 -3.43 113.55 106.87 2d8i h SER 89 Ca 0.38 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.46 2d8i h SER 89 Cb 1.45 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.42 2d8i h SER 89 CO -0.03 0.10 0.41 -1.10 -0.53 0.00 0.00 176.83 175.69 2d8i s GLN 90 N -4.69 4.43 0.24 2.24 -0.21 0.13 -4.97 119.66 116.84 2d8i s GLN 90 Ca -0.04 1.55 0.01 0.00 0.02 0.00 0.00 55.36 56.90 2d8i s GLN 90 Cb 0.16 -2.83 0.27 0.00 1.00 0.00 0.00 33.01 31.60 2d8i s GLN 90 CO 0.66 0.09 1.61 -1.00 -2.12 0.00 0.00 175.29 174.53 2d8i h PRO 91 N 3.12 0.45 -5.06 2.91 0.13 -1.84 -3.42 132.00 128.30 2d8i h PRO 91 Ca -0.47 -0.24 -0.66 0.00 -0.87 0.00 0.00 66.00 63.76 2d8i h PRO 91 Cb 1.21 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 2d8i h PRO 91 CO 0.65 0.81 -0.76 -1.54 -0.23 0.00 0.00 178.00 176.92 2d8i s SER 92 N -6.87 3.97 0.03 1.44 1.04 -1.26 -1.49 113.70 110.56 2d8i s SER 92 Ca -0.06 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 55.97 2d8i s SER 92 Cb 0.12 -1.66 -0.02 0.00 0.10 0.00 0.00 66.02 64.57 2d8i s SER 92 CO 0.81 0.01 -0.16 -0.76 0.98 0.00 0.00 173.24 174.12 2d8i s LEU 93 N 1.27 2.14 -0.30 2.42 1.43 -0.46 -4.99 118.68 120.19 2d8i s LEU 93 Ca 0.03 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2d8i s LEU 93 Cb -0.14 -0.73 0.08 0.00 0.03 0.00 0.00 46.19 45.43 2d8i s LEU 93 CO -0.04 0.10 -0.02 -0.83 0.23 0.00 0.00 176.35 175.79 2d8i s GLY 94 N -0.97 1.77 0.01 -3.19 0.00 -1.26 -0.12 107.32 103.56 2d8i s GLY 94 Ca 0.04 -2.15 -0.12 0.00 0.00 0.00 0.00 44.72 42.49 2d8i s GLY 94 CO 0.01 0.83 0.37 1.08 0.00 0.00 0.00 173.10 175.38 2d8i s LEU 95 N 1.02 4.43 -0.38 0.66 1.43 -0.31 -0.58 118.68 124.96 2d8i s LEU 95 Ca 0.02 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2d8i s LEU 95 Cb -0.19 -2.63 0.11 0.00 0.03 0.00 0.00 46.19 43.50 2d8i s LEU 95 CO -0.07 0.29 0.12 -0.22 0.23 0.00 0.00 176.35 176.70 2d8i s LEU 96 N -1.32 4.97 0.28 1.79 2.96 -0.14 -1.77 118.68 125.45 2d8i s LEU 96 Ca 0.25 -2.13 0.08 0.00 -0.22 0.00 0.00 54.13 52.11 2d8i s LEU 96 Cb -0.15 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2d8i s LEU 96 CO 0.14 -0.45 0.16 0.68 -1.32 0.00 0.00 176.35 175.56 2d8i s VAL 97 N 0.97 3.91 0.07 1.68 -7.23 -1.23 0.10 120.40 118.67 2d8i s VAL 97 Ca 0.10 -1.55 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2d8i s VAL 97 Cb -0.21 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 2d8i s VAL 97 CO -0.06 -0.31 -0.05 -0.60 -0.31 0.00 0.00 175.10 173.77 2d8i s ARG 98 N -3.83 2.41 0.27 4.82 3.52 -1.25 -2.14 118.95 122.75 2d8i s ARG 98 Ca 0.34 -0.87 -0.08 0.00 -0.13 0.00 0.00 55.73 55.00 2d8i s ARG 98 Cb -0.07 -2.45 -0.01 0.00 -1.56 0.00 0.00 34.95 30.87 2d8i s ARG 98 CO 0.24 0.55 0.42 -0.08 -0.81 0.00 0.00 175.30 175.62 2d8i s THR 99 N -1.19 0.00 -0.08 4.11 -1.32 -0.47 -4.81 115.64 111.88 2d8i s THR 99 Ca 0.22 -1.56 -0.09 0.00 -1.21 0.00 0.00 61.69 59.04 2d8i s THR 99 Cb -0.11 -2.40 -0.05 0.00 -1.51 0.00 0.00 72.50 68.43 2d8i s THR 99 CO 0.14 0.00 0.23 -0.31 -2.21 0.00 0.00 174.62 172.47 2d8i s TYR 100 N -3.72 3.64 0.45 9.09 1.51 -1.26 -1.03 117.35 126.03 2d8i s TYR 100 Ca 0.28 0.68 -0.23 0.00 -1.01 0.00 0.00 57.07 56.78 2d8i s TYR 100 Cb 0.01 -2.05 -0.08 0.00 -0.11 0.00 0.00 41.96 39.73 2d8i s TYR 100 CO 0.13 0.71 1.17 -1.25 -1.11 0.00 0.00 175.55 175.20 2d8i s PRO 101 N -1.06 3.81 0.22 -1.71 0.04 -1.26 -4.91 135.00 130.13 2d8i s PRO 101 Ca 0.18 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 2d8i s PRO 101 Cb -0.14 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2d8i s PRO 101 CO 0.07 -0.52 0.46 -2.00 0.04 0.00 0.00 177.00 175.05 2d8i s GLU 102 N -2.63 1.45 -0.03 4.56 -6.30 -1.26 -5.02 118.70 109.47 2d8i s GLU 102 Ca 0.62 -1.16 0.02 0.00 -2.50 0.00 0.00 54.97 51.96 2d8i s GLU 102 Cb -0.29 0.47 0.13 0.00 0.00 0.00 0.00 34.13 34.44 2d8i s GLU 102 CO 0.36 -0.60 0.75 1.28 0.02 0.00 0.00 175.26 177.07 2d8i n LEU 103 N -0.35 1.66 -3.40 2.70 4.77 -1.26 -4.67 117.00 116.45 2d8i n LEU 103 Ca -0.04 -0.83 0.02 0.00 -0.03 0.00 0.00 56.01 55.12 2d8i n LEU 103 Cb 0.62 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2d8i n LEU 103 CO 0.21 0.30 0.62 -0.70 -1.33 0.00 0.00 177.39 176.49 2d8i s GLU 104 N -1.35 0.28 -0.26 3.23 2.12 -1.26 -5.17 118.70 116.29 2d8i s GLU 104 Ca 0.09 0.71 -0.26 0.00 0.36 0.00 0.00 54.97 55.87 2d8i s GLU 104 Cb 0.07 0.42 0.09 0.00 0.26 0.00 0.00 34.13 34.97 2d8i s GLU 104 CO 0.03 -0.10 0.85 -1.83 -0.54 0.00 0.00 175.26 173.67 2d8i s GLU 105 N 2.42 0.72 0.00 4.30 1.03 -1.26 -5.15 118.70 120.76 2d8i s GLU 105 Ca -0.03 0.77 0.00 0.00 0.03 0.00 0.00 54.97 55.74 2d8i s GLU 105 Cb -0.06 0.35 0.00 0.00 -0.80 0.00 0.00 34.13 33.62 2d8i s GLU 105 CO -0.17 -0.10 0.00 0.41 -1.33 0.00 0.00 175.26 174.06 2d8i n GLY 106 N 2.32 3.50 3.59 -3.83 0.00 -1.26 -5.12 105.19 104.38 2d8i n GLY 106 Ca -0.14 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2d8i n GLY 106 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2d8i n VAL 107 N 0.00 3.33 -5.18 1.61 0.24 -1.26 -5.01 118.33 112.06 2d8i n VAL 107 Ca 0.00 -0.47 -0.29 0.00 -2.04 0.00 0.00 64.34 61.54 2d8i n VAL 107 Cb 0.00 -1.07 -0.16 0.00 -1.47 0.00 0.00 33.84 31.15 2d8i n VAL 107 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2d8i s GLU 108 N -2.85 1.94 -0.19 7.34 -1.05 -1.26 -5.12 118.70 117.50 2d8i s GLU 108 Ca 0.75 -0.85 -0.33 0.00 -0.15 0.00 0.00 54.97 54.39 2d8i s GLU 108 Cb -0.39 -1.86 0.14 0.00 -0.44 0.00 0.00 34.13 31.58 2d8i s GLU 108 CO 0.49 0.50 1.19 0.45 0.95 0.00 0.00 175.26 178.83 2d8i s SER 109 N -0.53 -0.16 0.00 0.83 0.15 -1.26 -5.13 113.70 107.60 2d8i s SER 109 Ca 0.08 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2d8i s SER 109 Cb -0.09 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2d8i s SER 109 CO -0.01 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2d8i n GLY 110 N 0.10 0.94 3.72 9.45 0.00 -1.26 -5.12 105.19 113.02 2d8i n GLY 110 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.03 1.23 0.40 1.61 0.04 -1.26 -5.05 135.00 131.94 2d8i s PRO 111 Ca 0.00 0.81 -0.00 0.00 0.04 0.00 0.00 61.00 61.85 2d8i s PRO 111 Cb 0.00 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2d8i s PRO 111 CO 0.00 -2.26 0.63 -1.12 0.04 0.00 0.00 177.00 174.29 2d8i s SER 112 N -3.42 6.11 0.01 6.66 0.01 -1.26 -5.12 113.70 116.70 2d8i s SER 112 Ca 0.63 0.45 -0.21 0.00 1.31 0.00 0.00 55.95 58.13 2d8i s SER 112 Cb -0.18 -1.87 0.04 0.00 0.21 0.00 0.00 66.02 64.23 2d8i s SER 112 CO 0.57 -0.49 0.47 -0.44 0.41 0.00 0.00 173.24 173.76 2d8i s SER 113 N -4.12 -0.38 0.00 2.44 0.01 -1.26 -5.35 113.70 105.04 2d8i s SER 113 Ca 0.44 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2d8i s SER 113 Cb -0.10 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2d8i s SER 113 CO 0.38 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.02