#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8i s SER 2 N 0.00 -0.76 0.42 1.61 0.15 0.51 -4.83 113.70 110.80 2d8i s SER 2 Ca 0.00 0.62 -0.25 0.00 0.70 0.00 0.00 55.95 57.02 2d8i s SER 2 Cb 0.00 1.70 -0.08 0.00 -1.71 0.00 0.00 66.02 65.92 2d8i s SER 2 CO 0.00 -0.14 1.21 -0.55 1.20 0.00 0.00 173.24 174.95 2d8i s SER 3 N 2.81 6.36 0.16 5.45 0.15 -1.26 -4.77 113.70 122.60 2d8i s SER 3 Ca 0.04 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.12 2d8i s SER 3 Cb -0.11 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2d8i s SER 3 CO -0.15 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.10 2d8i n GLY 4 N 0.61 -3.72 3.54 9.45 0.00 -1.26 -4.88 105.19 108.94 2d8i n GLY 4 Ca 0.05 -0.91 -0.46 0.00 0.00 0.00 0.00 46.02 44.70 2d8i n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8i n SER 5 N -0.61 0.59 -4.69 1.61 7.64 -1.26 -4.90 113.62 112.00 2d8i n SER 5 Ca 0.00 1.16 -0.41 0.00 1.01 0.00 0.00 58.87 60.63 2d8i n SER 5 Cb 0.00 -1.18 -0.04 0.00 -1.01 0.00 0.00 64.21 61.98 2d8i n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d8i s SER 6 N -0.62 7.01 0.18 6.43 1.04 -1.26 -4.78 113.70 121.69 2d8i s SER 6 Ca 0.62 1.23 0.00 0.00 0.48 0.00 0.00 55.95 58.28 2d8i s SER 6 Cb -0.79 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 62.88 2d8i s SER 6 CO 0.58 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2d8i n GLY 7 N 3.30 1.02 3.38 7.32 0.00 -1.26 -4.98 105.19 113.96 2d8i n GLY 7 Ca 0.03 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 1.70 0.30 1.61 2.02 -1.26 -5.18 118.70 117.88 2d8i s GLU 8 Ca 0.00 -1.78 0.11 0.00 0.02 0.00 0.00 54.97 53.32 2d8i s GLU 8 Cb 0.00 0.37 -0.06 0.00 0.10 0.00 0.00 34.13 34.55 2d8i s GLU 8 CO 0.00 -0.66 -0.16 0.96 0.02 0.00 0.00 175.26 175.43 2d8i s ILE 9 N -3.48 2.32 1.04 -1.63 -4.36 -1.26 -5.13 121.20 108.70 2d8i s ILE 9 Ca 0.35 -2.32 -0.15 0.00 -0.26 0.00 0.00 60.65 58.27 2d8i s ILE 9 Cb 0.02 -2.41 0.14 0.00 1.25 0.00 0.00 42.46 41.47 2d8i s ILE 9 CO 0.20 -0.34 0.18 -0.62 0.24 0.00 0.00 174.94 174.60 2d8i n GLU 10 N -0.66 -2.08 0.03 0.37 -0.58 -1.26 -4.91 120.64 111.55 2d8i n GLU 10 Ca -0.05 -0.61 0.11 0.00 -0.42 0.00 0.00 57.16 56.19 2d8i n GLU 10 Cb 0.61 -1.51 0.05 0.00 -0.57 0.00 0.00 31.44 30.03 2d8i n GLU 10 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2d8i n ILE 11 N -4.40 0.20 -3.15 -3.67 5.41 -1.26 -4.85 119.36 107.64 2d8i n ILE 11 Ca 0.04 -0.24 -0.40 0.00 1.00 0.00 0.00 62.75 63.15 2d8i n ILE 11 Cb 0.43 0.15 -0.06 0.00 -0.71 0.00 0.00 39.64 39.45 2d8i n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2d8i s PRO 13 N 2.12 2.55 0.98 0.00 0.04 -1.26 -4.95 135.00 134.48 2d8i s PRO 13 Ca 0.26 -0.39 -0.16 0.00 0.04 0.00 0.00 61.00 60.76 2d8i s PRO 13 Cb -0.16 -5.08 -0.05 0.00 0.04 0.00 0.00 34.50 29.25 2d8i s PRO 13 CO 0.09 -3.44 -0.23 1.63 0.04 0.00 0.00 177.00 175.09 2d8i n LYS 14 N 8.79 -0.21 -4.55 4.56 5.02 -1.26 -4.72 118.16 125.79 2d8i n LYS 14 Ca 0.41 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.44 2d8i n LYS 14 Cb 0.47 -1.43 -0.15 0.00 -0.02 0.00 0.00 35.03 33.89 2d8i n LYS 14 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2d8i s VAL 15 N -2.20 0.99 0.28 -0.18 -7.23 0.75 -4.93 120.40 107.88 2d8i s VAL 15 Ca 0.48 -0.50 -0.23 0.00 -1.81 0.00 0.00 61.98 59.92 2d8i s VAL 15 Cb -0.18 -0.85 -0.09 0.00 0.56 0.00 0.00 36.38 35.82 2d8i s VAL 15 CO 0.74 0.29 0.85 0.42 -0.31 0.00 0.00 175.10 177.09 2d8i s THR 16 N -0.05 4.37 -0.07 5.32 -4.23 -1.26 0.11 115.64 119.83 2d8i s THR 16 Ca 0.00 1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 62.08 2d8i s THR 16 Cb -0.07 -3.93 0.03 0.00 1.34 0.00 0.00 72.50 69.86 2d8i s THR 16 CO 0.00 0.15 -0.02 0.00 -0.54 0.00 0.00 174.62 174.21 2d8i s GLN 17 N -2.07 0.79 -0.49 3.99 -2.07 0.49 -4.93 119.66 115.37 2d8i s GLN 17 Ca 0.48 0.00 -0.27 0.00 -1.82 0.00 0.00 55.36 53.75 2d8i s GLN 17 Cb -0.17 -1.02 0.03 0.00 -1.09 0.00 0.00 33.01 30.76 2d8i s GLN 17 CO 0.22 -0.24 1.03 -1.12 -1.32 0.00 0.00 175.29 173.86 2d8i s SER 18 N 1.66 6.52 -0.38 12.60 0.01 -1.26 -3.12 113.70 129.73 2d8i s SER 18 Ca 0.01 0.19 -0.08 0.00 1.31 0.00 0.00 55.95 57.38 2d8i s SER 18 Cb -0.13 -2.49 0.05 0.00 0.21 0.00 0.00 66.02 63.66 2d8i s SER 18 CO -0.04 -1.18 0.19 -0.63 0.41 0.00 0.00 173.24 171.98 2d8i s ILE 19 N 4.15 4.10 -0.26 1.44 1.01 -0.82 -5.01 121.20 125.81 2d8i s ILE 19 Ca 0.41 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 2d8i s ILE 19 Cb -0.09 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 2d8i s ILE 19 CO 0.28 -0.33 0.17 -1.38 0.00 0.00 0.00 174.94 173.68 2d8i s HIS 20 N 1.43 3.26 0.12 3.97 -3.43 -1.26 -1.89 115.29 117.49 2d8i s HIS 20 Ca 0.01 0.16 0.02 0.00 -0.80 0.00 0.00 55.06 54.45 2d8i s HIS 20 Cb -0.21 -2.33 -0.04 0.00 -1.43 0.00 0.00 32.58 28.58 2d8i s HIS 20 CO 0.03 -0.06 0.26 0.42 -2.00 0.00 0.00 174.74 173.39 2d8i s ILE 21 N 1.43 5.35 -0.17 -5.38 1.01 0.51 -4.94 121.20 119.01 2d8i s ILE 21 Ca 0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 2d8i s ILE 21 Cb -0.15 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2d8i s ILE 21 CO 0.08 -0.01 0.42 -1.61 0.00 0.00 0.00 174.94 173.82 2d8i s GLU 22 N -2.98 0.46 0.35 2.79 2.02 -1.26 -1.30 118.70 118.78 2d8i s GLU 22 Ca 0.35 0.68 0.08 0.00 0.02 0.00 0.00 54.97 56.10 2d8i s GLU 22 Cb -0.12 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 2d8i s GLU 22 CO 0.28 -0.10 0.16 0.15 0.02 0.00 0.00 175.26 175.77 2d8i s LYS 23 N 0.72 2.38 -0.13 1.61 1.02 0.66 -5.00 119.74 120.99 2d8i s LYS 23 Ca -0.04 -1.56 -0.07 0.00 0.02 0.00 0.00 55.97 54.31 2d8i s LYS 23 Cb -0.05 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.06 2d8i s LYS 23 CO -0.05 0.08 -0.15 0.77 -0.92 0.00 0.00 175.35 175.08 2d8i h SER 24 N 1.51 0.00 -3.30 2.83 0.02 -1.89 -3.46 113.55 109.25 2d8i h SER 24 Ca -0.44 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.92 2d8i h SER 24 Cb 1.25 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.40 2d8i h SER 24 CO 0.63 0.71 -0.75 -1.81 -1.14 0.00 0.00 176.83 174.46 2d8i s ASP 25 N -5.69 4.03 0.24 3.07 1.01 -1.26 -4.99 116.67 113.07 2d8i s ASP 25 Ca -0.12 -1.60 -0.07 0.00 0.71 0.00 0.00 52.55 51.47 2d8i s ASP 25 Cb 0.02 -1.00 0.28 0.00 1.01 0.00 0.00 42.92 43.23 2d8i s ASP 25 CO 0.18 -0.38 1.88 0.71 0.21 0.00 0.00 175.17 177.77 2d8i h THR 26 N 6.53 1.13 -1.60 -1.27 1.35 -1.89 0.15 112.91 117.31 2d8i h THR 26 Ca -0.13 -0.37 0.51 0.00 -0.55 0.00 0.00 66.41 65.87 2d8i h THR 26 Cb 1.03 -0.05 -0.11 0.00 -1.73 0.00 0.00 68.15 67.29 2d8i h THR 26 CO 0.46 0.20 1.08 0.00 -0.25 0.00 0.00 175.52 177.01 2d8i n ALA 27 N -2.35 1.56 -0.21 6.62 0.00 -1.26 -3.71 120.51 121.16 2d8i n ALA 27 Ca 0.11 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.33 2d8i n ALA 27 Cb 0.10 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.68 2.75 -1.93 0.00 0.00 -0.81 -5.02 120.51 112.82 2d8i n ALA 28 Ca 0.42 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 2d8i n ALA 28 Cb 1.73 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 21.15 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 -3.72 6.61 -0.10 0.00 1.11 0.46 -4.99 116.67 116.03 2d8i s ASP 29 Ca 0.00 2.45 -0.07 0.00 0.18 0.00 0.00 52.55 55.11 2d8i s ASP 29 Cb 0.00 -2.56 0.03 0.00 1.07 0.00 0.00 42.92 41.47 2d8i s ASP 29 CO 0.00 -0.90 0.26 0.28 1.18 0.00 0.00 175.17 175.99 2d8i s THR 30 N 2.95 -0.02 0.18 -1.27 -1.32 -1.26 -3.71 115.64 111.18 2d8i s THR 30 Ca 0.74 0.06 -0.30 0.00 -1.21 0.00 0.00 61.69 60.98 2d8i s THR 30 Cb -0.39 -0.38 -0.17 0.00 -1.51 0.00 0.00 72.50 70.06 2d8i s THR 30 CO 0.32 0.02 0.70 -1.22 -2.21 0.00 0.00 174.62 172.24 2d8i n TYR 31 N 3.50 0.01 -1.02 9.09 4.01 -1.26 -4.87 117.16 126.61 2d8i n TYR 31 Ca -0.18 0.93 0.06 0.00 -0.16 0.00 0.00 57.90 58.55 2d8i n TYR 31 Cb 0.56 -2.04 0.28 0.00 -0.31 0.00 0.00 39.34 37.84 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 1.84 3.90 3.84 2.72 0.00 -1.26 -4.99 105.19 111.24 2d8i n GLY 32 Ca 0.17 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.87 3.34 0.27 1.61 -0.71 -1.26 -3.78 117.98 114.58 2d8i s PHE 33 Ca 0.46 0.16 0.04 0.00 -1.04 0.00 0.00 56.93 56.55 2d8i s PHE 33 Cb 0.37 -1.69 -0.06 0.00 -1.21 0.00 0.00 43.02 40.43 2d8i s PHE 33 CO 0.10 0.55 0.01 -1.54 -1.34 0.00 0.00 175.22 173.00 2d8i s SER 34 N -2.41 2.14 -0.05 1.98 1.04 -0.84 -4.98 113.70 110.57 2d8i s SER 34 Ca 0.31 -1.27 0.03 0.00 0.48 0.00 0.00 55.95 55.51 2d8i s SER 34 Cb -0.13 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.96 2d8i s SER 34 CO 0.24 -0.52 -0.12 -0.76 0.98 0.00 0.00 173.24 173.07 2d8i s LEU 35 N -3.38 1.72 -0.17 2.42 1.43 -1.26 -1.67 118.68 117.76 2d8i s LEU 35 Ca 0.31 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 2d8i s LEU 35 Cb 0.06 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 2d8i s LEU 35 CO 0.11 0.06 0.02 -0.55 0.23 0.00 0.00 176.35 176.23 2d8i s SER 36 N 0.44 5.32 -0.09 2.29 0.15 0.40 -4.85 113.70 117.36 2d8i s SER 36 Ca -0.10 0.01 -0.27 0.00 0.70 0.00 0.00 55.95 56.29 2d8i s SER 36 Cb -0.13 -1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 62.27 2d8i s SER 36 CO 0.02 0.18 0.89 -0.94 1.20 0.00 0.00 173.24 174.60 2d8i s SER 37 N 0.32 7.15 -0.11 5.45 1.04 -1.26 -1.37 113.70 124.92 2d8i s SER 37 Ca 0.01 1.40 -0.01 0.00 0.48 0.00 0.00 55.95 57.83 2d8i s SER 37 Cb -0.13 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.52 2d8i s SER 37 CO 0.01 -0.32 -0.03 -0.69 0.98 0.00 0.00 173.24 173.19 2d8i s VAL 38 N 1.57 0.72 -0.09 5.02 1.01 0.19 -4.98 120.40 123.84 2d8i s VAL 38 Ca 0.44 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 2d8i s VAL 38 Cb -0.18 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2d8i s VAL 38 CO 0.19 0.23 0.42 -0.70 0.00 0.00 0.00 175.10 175.24 2d8i s GLU 39 N 1.82 4.19 -0.11 2.72 -6.30 -1.26 -1.41 118.70 118.35 2d8i s GLU 39 Ca 0.04 0.37 -0.03 0.00 -2.50 0.00 0.00 54.97 52.85 2d8i s GLU 39 Cb -0.13 -3.36 0.04 0.00 0.00 0.00 0.00 34.13 30.68 2d8i s GLU 39 CO -0.07 0.35 0.06 -1.21 0.02 0.00 0.00 175.26 174.41 2d8i s GLU 40 N 0.04 0.17 -1.40 4.30 2.02 0.69 -4.83 118.70 119.69 2d8i s GLU 40 Ca 0.23 0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.30 2d8i s GLU 40 Cb -0.15 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 32.83 2d8i s GLU 40 CO 0.10 -0.48 0.03 -0.25 0.02 0.00 0.00 175.26 174.68 2d8i n ASP 41 N 5.24 -4.87 0.00 -0.19 8.00 -1.26 -0.00 116.55 123.46 2d8i n ASP 41 Ca -0.06 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2d8i n ASP 41 Cb 0.49 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d8i n GLY 42 N -0.93 1.73 3.54 0.44 0.00 -1.26 0.19 105.19 108.90 2d8i n GLY 42 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.34 4.79 -0.17 -0.61 1.01 0.99 -4.88 121.20 120.00 2d8i s ILE 43 Ca 0.00 0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.83 2d8i s ILE 43 Cb 0.00 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2d8i s ILE 43 CO 0.00 -0.54 0.52 -0.60 0.00 0.00 0.00 174.94 174.32 2d8i s ARG 44 N 2.92 4.24 0.26 2.79 3.00 -1.26 -0.22 118.95 130.69 2d8i s ARG 44 Ca 0.25 0.46 0.02 0.00 -1.00 0.00 0.00 55.73 55.46 2d8i s ARG 44 Cb -0.14 -3.52 -0.05 0.00 0.00 0.00 0.00 34.95 31.24 2d8i s ARG 44 CO 0.19 -0.06 0.07 1.03 0.00 0.00 0.00 175.30 176.53 2d8i s ARG 45 N 1.34 1.43 0.09 5.12 0.52 -0.50 -4.15 118.95 122.80 2d8i s ARG 45 Ca 0.25 -1.77 0.09 0.00 -0.52 0.00 0.00 55.73 53.79 2d8i s ARG 45 Cb -0.15 -0.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.87 2d8i s ARG 45 CO 0.10 -0.25 -0.23 -0.51 0.02 0.00 0.00 175.30 174.44 2d8i s LEU 46 N -3.34 2.43 -0.03 2.53 2.01 -1.26 -0.63 118.68 120.39 2d8i s LEU 46 Ca 0.36 -0.60 0.00 0.00 0.01 0.00 0.00 54.13 53.91 2d8i s LEU 46 Cb 0.08 -1.38 0.03 0.00 0.01 0.00 0.00 46.19 44.93 2d8i s LEU 46 CO 0.13 0.22 -0.00 -0.31 1.01 0.00 0.00 176.35 177.39 2d8i s TYR 47 N -0.99 0.32 -0.52 0.29 2.02 -0.47 -2.71 117.35 115.30 2d8i s TYR 47 Ca 0.14 -0.01 -0.26 0.00 -0.37 0.00 0.00 57.07 56.58 2d8i s TYR 47 Cb -0.10 -0.41 -0.06 0.00 -0.40 0.00 0.00 41.96 40.99 2d8i s TYR 47 CO 0.06 -0.13 2.29 0.08 -1.57 0.00 0.00 175.55 176.28 2d8i s VAL 48 N 0.99 3.08 0.02 0.71 1.01 -0.64 -0.46 120.40 125.11 2d8i s VAL 48 Ca -0.10 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 2d8i s VAL 48 Cb -0.13 -3.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.91 2d8i s VAL 48 CO -0.02 -0.22 1.11 -1.13 0.00 0.00 0.00 175.10 174.84 2d8i h ASN 49 N 18.54 -0.64 -3.07 3.32 -0.73 -1.66 0.66 115.58 132.01 2d8i h ASN 49 Ca -0.24 0.02 -0.51 0.00 1.87 0.00 0.00 56.30 57.44 2d8i h ASN 49 Cb 1.24 0.17 -0.15 0.00 0.27 0.00 0.00 38.32 39.84 2d8i h ASN 49 CO 1.17 -0.39 -0.76 -0.55 -0.37 0.00 0.00 177.43 176.54 2d8i s SER 50 N -3.68 2.87 0.03 1.15 0.15 -1.26 -4.54 113.70 108.43 2d8i s SER 50 Ca -0.11 -0.97 0.02 0.00 0.70 0.00 0.00 55.95 55.59 2d8i s SER 50 Cb 0.01 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.12 2d8i s SER 50 CO 0.33 -0.07 -0.07 -0.69 1.20 0.00 0.00 173.24 173.94 2d8i s VAL 51 N -2.56 0.47 -0.26 4.45 1.01 -1.26 -1.99 120.40 120.26 2d8i s VAL 51 Ca 0.22 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2d8i s VAL 51 Cb -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 2d8i s VAL 51 CO 0.09 -0.34 1.32 -0.75 0.00 0.00 0.00 175.10 175.42 2d8i s LYS 52 N -1.39 3.98 0.00 2.72 2.20 -1.25 -4.85 119.74 121.16 2d8i s LYS 52 Ca -0.09 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 2d8i s LYS 52 Cb -0.09 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 2d8i s LYS 52 CO 0.00 -1.04 0.77 -1.91 -0.36 0.00 0.00 175.35 172.81 2d8i n GLU 53 N 7.18 0.00 -1.66 4.03 2.13 -1.26 -3.14 120.64 127.92 2d8i n GLU 53 Ca 0.15 0.41 -0.33 0.00 0.66 0.00 0.00 57.16 58.05 2d8i n GLU 53 Cb 0.46 -1.27 -0.04 0.00 0.27 0.00 0.00 31.44 30.86 2d8i n GLU 53 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2d8i n THR 54 N -1.52 4.32 0.00 6.31 -2.24 -1.26 -4.56 114.28 115.33 2d8i n THR 54 Ca 0.00 -3.43 0.00 0.00 -2.27 0.00 0.00 64.05 58.35 2d8i n THR 54 Cb 0.00 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.25 2d8i n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d8i n GLY 55 N 1.76 3.00 0.98 3.38 0.00 -1.19 -5.11 105.19 108.02 2d8i n GLY 55 Ca 0.58 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.60 -0.32 0.99 4.77 -1.26 -4.54 117.00 117.23 2d8i n LEU 56 Ca 0.00 0.08 0.18 0.00 -0.03 0.00 0.00 56.01 56.24 2d8i n LEU 56 Cb 0.00 -0.19 0.38 0.00 -2.33 0.00 0.00 43.42 41.28 2d8i n LEU 56 CO 0.00 -0.34 1.08 0.00 -1.33 0.00 0.00 177.39 176.80 2d8i h ALA 57 N -0.04 1.67 0.00 -1.18 0.00 -1.96 0.28 119.26 118.03 2d8i h ALA 57 Ca -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2d8i h ALA 57 Cb 0.55 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2d8i h ALA 57 CO -0.01 -0.41 -0.00 1.03 0.00 0.00 0.00 179.25 179.86 2d8i h SER 58 N 0.40 -0.00 -1.09 0.00 0.87 -1.80 -1.52 113.55 110.41 2d8i h SER 58 Ca 0.64 0.00 0.30 0.00 -1.23 0.00 0.00 61.79 61.49 2d8i h SER 58 Cb 1.30 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.17 2d8i h SER 58 CO -0.56 -0.00 0.71 0.07 -0.53 0.00 0.00 176.83 176.52 2d8i h LYS 59 N -0.00 0.31 0.14 2.24 2.10 -1.71 -2.27 116.57 117.37 2d8i h LYS 59 Ca -0.00 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2d8i h LYS 59 Cb 0.00 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2d8i h LYS 59 CO 0.00 0.20 -0.10 -0.22 -2.00 0.00 0.00 179.45 177.34 2d8i h LYS 60 N 0.31 -0.22 0.00 0.07 1.63 -0.39 -3.46 116.57 114.52 2d8i h LYS 60 Ca 0.62 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.44 2d8i h LYS 60 Cb 1.72 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.40 2d8i h LYS 60 CO -0.29 -0.14 0.00 0.41 -3.45 0.00 0.00 179.45 175.98 2d8i n GLY 61 N -1.12 0.00 3.46 5.01 0.00 -0.85 -5.10 105.19 106.59 2d8i n GLY 61 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 2.58 0.08 0.99 1.43 -0.62 -5.04 118.68 118.10 2d8i s LEU 62 Ca 0.00 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.22 2d8i s LEU 62 Cb 0.00 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.91 2d8i s LEU 62 CO 0.00 0.12 0.27 -0.54 0.23 0.00 0.00 176.35 176.44 2d8i s LYS 63 N -2.63 0.88 -0.72 1.70 -0.14 -1.26 -4.53 119.74 113.05 2d8i s LYS 63 Ca 0.21 -0.76 -0.26 0.00 -1.36 0.00 0.00 55.97 53.80 2d8i s LYS 63 Cb -0.08 0.37 -0.10 0.00 -1.68 0.00 0.00 37.83 36.34 2d8i s LYS 63 CO 0.11 -0.30 2.32 0.00 -0.76 0.00 0.00 175.35 176.72 2d8i s ALA 64 N -3.45 1.13 0.00 5.17 0.00 -1.26 -1.66 121.76 121.70 2d8i s ALA 64 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2d8i s ALA 64 Cb 0.02 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.64 2d8i s ALA 64 CO -0.09 -5.30 0.00 0.41 0.00 0.00 0.00 175.76 170.78 2d8i n GLY 65 N 6.54 1.23 3.40 0.00 0.00 0.23 -4.94 105.19 111.65 2d8i n GLY 65 Ca 0.42 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.31 -4.58 1.61 9.92 -0.66 -4.34 116.55 117.19 2d8i n ASP 66 Ca 0.00 1.08 -0.39 0.00 -0.53 0.00 0.00 54.79 54.96 2d8i n ASP 66 Cb 0.00 -0.97 -0.11 0.00 -0.64 0.00 0.00 41.12 39.41 2d8i n ASP 66 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2d8i s GLU 67 N -1.05 3.84 -0.43 -1.24 2.56 -1.26 -1.63 118.70 119.50 2d8i s GLU 67 Ca 0.63 -0.38 -0.25 0.00 0.00 0.00 0.00 54.97 54.97 2d8i s GLU 67 Cb -0.86 -3.70 0.02 0.00 2.00 0.00 0.00 34.13 31.59 2d8i s GLU 67 CO 0.57 -0.25 0.89 0.42 -0.56 0.00 0.00 175.26 176.33 2d8i s ILE 68 N 1.77 4.55 -0.12 -3.70 -1.09 -1.10 -4.43 121.20 117.08 2d8i s ILE 68 Ca 0.07 0.80 -0.28 0.00 -2.23 0.00 0.00 60.65 59.02 2d8i s ILE 68 Cb -0.16 -4.37 -0.27 0.00 -1.58 0.00 0.00 42.46 36.08 2d8i s ILE 68 CO 0.11 -0.71 0.81 -0.07 -1.23 0.00 0.00 174.94 173.85 2d8i h LEU 69 N 10.30 0.09 -7.84 2.97 3.38 -1.63 -3.40 115.31 119.18 2d8i h LEU 69 Ca -0.24 -0.98 -0.14 0.00 0.09 0.00 0.00 57.88 56.61 2d8i h LEU 69 Cb 1.08 -0.03 -0.19 0.00 0.09 0.00 0.00 40.66 41.61 2d8i h LEU 69 CO 0.99 1.06 -0.53 -1.61 0.09 0.00 0.00 178.44 178.44 2d8i s GLU 70 N -2.32 0.51 -0.27 1.13 2.02 -1.23 -3.40 118.70 115.14 2d8i s GLU 70 Ca -0.18 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 2d8i s GLU 70 Cb -0.02 0.20 0.08 0.00 0.10 0.00 0.00 34.13 34.49 2d8i s GLU 70 CO 0.72 -0.12 0.05 0.42 0.02 0.00 0.00 175.26 176.35 2d8i s ILE 71 N -1.93 0.96 -1.22 -1.63 1.01 0.25 -1.36 121.20 117.28 2d8i s ILE 71 Ca -0.11 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 2d8i s ILE 71 Cb -0.05 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.86 2d8i s ILE 71 CO -0.01 -0.45 1.06 0.59 0.00 0.00 0.00 174.94 176.12 2d8i n ASN 72 N 4.84 -5.44 -1.10 3.58 3.02 0.11 -2.09 115.26 118.18 2d8i n ASN 72 Ca -0.05 -0.50 -0.09 0.00 -0.03 0.00 0.00 54.58 53.90 2d8i n ASN 72 Cb 0.44 -4.64 -0.00 0.00 -0.61 0.00 0.00 39.78 34.96 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 -2.66 -3.25 -4.09 6.41 5.15 -1.26 -5.03 115.26 110.53 2d8i n ASN 73 Ca -0.03 -0.02 -0.23 0.00 -0.60 0.00 0.00 54.58 53.70 2d8i n ASN 73 Cb 0.57 -2.50 -0.16 0.00 -0.53 0.00 0.00 39.78 37.16 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 -4.51 1.35 0.03 1.20 1.81 -0.89 -5.11 118.95 112.84 2d8i s ARG 74 Ca 0.01 -0.50 -0.30 0.00 -1.72 0.00 0.00 55.73 53.21 2d8i s ARG 74 Cb -0.00 -1.24 -0.07 0.00 -0.45 0.00 0.00 34.95 33.19 2d8i s ARG 74 CO 0.01 0.24 1.48 0.00 -0.68 0.00 0.00 175.30 176.34 2d8i s ALA 75 N -0.07 3.62 0.28 2.13 0.00 -1.26 -0.59 121.76 125.87 2d8i s ALA 75 Ca -0.00 1.01 0.02 0.00 0.00 0.00 0.00 51.96 52.99 2d8i s ALA 75 Cb -0.09 -3.62 0.66 0.00 0.00 0.00 0.00 23.12 20.07 2d8i s ALA 75 CO 0.01 -0.94 1.71 0.00 0.00 0.00 0.00 175.76 176.55 2d8i h ALA 76 N 7.85 1.36 -0.04 0.00 0.00 -1.84 0.32 119.26 126.91 2d8i h ALA 76 Ca -0.40 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2d8i h ALA 76 Cb 1.19 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2d8i h ALA 76 CO 0.91 -0.27 -0.59 0.38 0.00 0.00 0.00 179.25 179.67 2d8i h ASP 77 N 0.45 0.16 0.61 0.00 2.03 -1.89 -2.96 116.42 114.83 2d8i h ASP 77 Ca 0.52 -0.09 -0.08 0.00 -0.73 0.00 0.00 57.03 56.66 2d8i h ASP 77 Cb 0.93 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.37 2d8i h ASP 77 CO -0.48 0.71 -0.38 0.00 -1.03 0.00 0.00 179.24 178.05 2d8i h ALA 78 N 1.29 1.14 -2.63 4.15 0.00 -0.83 -3.43 119.26 118.95 2d8i h ALA 78 Ca -0.01 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 54.03 2d8i h ALA 78 Cb 1.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2d8i h ALA 78 CO 0.09 0.48 0.25 -0.51 0.00 0.00 0.00 179.25 179.56 2d8i s LEU 79 N -7.50 4.49 0.29 0.00 1.43 -0.13 -4.98 118.68 112.28 2d8i s LEU 79 Ca -0.01 1.63 0.08 0.00 -1.03 0.00 0.00 54.13 54.80 2d8i s LEU 79 Cb 0.12 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2d8i s LEU 79 CO 0.70 0.01 0.10 0.54 0.23 0.00 0.00 176.35 177.92 2d8i s ASN 80 N -0.18 4.82 0.32 2.29 4.22 -1.26 -4.88 114.94 120.28 2d8i s ASN 80 Ca 0.42 -0.61 0.16 0.00 -2.14 0.00 0.00 52.86 50.69 2d8i s ASN 80 Cb -0.22 -0.92 1.13 0.00 1.28 0.00 0.00 41.25 42.52 2d8i s ASN 80 CO 0.26 -0.13 1.41 -1.54 -2.04 0.00 0.00 177.10 175.07 2d8i n SER 81 N -1.07 0.25 0.32 3.54 3.41 -1.26 0.18 113.62 118.99 2d8i n SER 81 Ca -0.05 1.49 -0.16 0.00 -0.26 0.00 0.00 58.87 59.89 2d8i n SER 81 Cb 0.60 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.69 0.11 4.04 0.87 -2.00 -2.40 113.55 113.47 2d8i h SER 82 Ca 0.73 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 61.28 2d8i h SER 82 Cb 1.88 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 63.98 2d8i h SER 82 CO -0.71 -0.38 -0.32 0.24 -0.53 0.00 0.00 176.83 175.13 2d8i h MET 83 N -1.01 -0.52 -0.67 2.24 2.86 -0.65 -2.65 114.93 114.54 2d8i h MET 83 Ca -0.08 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.70 2d8i h MET 83 Cb 0.68 0.12 -0.12 0.00 0.06 0.00 0.00 31.60 32.33 2d8i h MET 83 CO 0.14 -0.35 -0.36 -0.07 1.06 0.00 0.00 176.91 177.33 2d8i h LEU 84 N -0.54 -1.25 -0.79 1.22 3.38 -1.02 -0.23 115.31 116.09 2d8i h LEU 84 Ca 0.03 0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.38 2d8i h LEU 84 Cb 0.57 0.62 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 2d8i h LEU 84 CO -0.19 -0.30 -0.34 0.50 0.09 0.00 0.00 178.44 178.19 2d8i h LYS 85 N -0.14 -0.07 -0.21 1.13 3.64 -1.07 0.12 116.57 119.96 2d8i h LYS 85 Ca 0.25 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2d8i h LYS 85 Cb 0.56 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 2d8i h LYS 85 CO -0.74 -0.05 -0.31 0.22 -2.27 0.00 0.00 179.45 176.31 2d8i h ASP 86 N -0.08 -0.98 -0.71 4.20 3.58 -0.91 0.32 116.42 121.85 2d8i h ASP 86 Ca 0.30 0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.99 2d8i h ASP 86 Cb 0.58 0.43 -0.05 0.00 1.72 0.00 0.00 39.33 42.02 2d8i h ASP 86 CO -0.83 -0.33 0.47 -0.26 -2.88 0.00 0.00 179.24 175.40 2d8i h PHE 87 N -0.33 0.70 0.00 0.28 0.04 -0.62 0.19 116.94 117.19 2d8i h PHE 87 Ca 0.12 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2d8i h PHE 87 Cb 0.53 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.45 2d8i h PHE 87 CO -0.44 0.35 0.00 -0.07 -0.60 0.00 0.00 178.31 177.56 2d8i h LEU 88 N 0.68 0.00 -3.34 1.54 3.38 0.98 -2.77 115.31 115.77 2d8i h LEU 88 Ca 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2d8i h LEU 88 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2d8i h LEU 88 CO -0.11 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.18 2d8i n SER 89 N -2.37 5.34 -4.62 -0.43 2.88 0.65 -4.84 113.62 110.22 2d8i n SER 89 Ca 0.03 -2.85 -0.29 0.00 -1.33 0.00 0.00 58.87 54.42 2d8i n SER 89 Cb 0.32 -0.67 -0.09 0.00 -0.75 0.00 0.00 64.21 63.01 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 -2.62 2.27 0.46 -1.46 -1.52 -1.05 -5.02 119.66 110.73 2d8i s GLN 90 Ca 0.50 -1.00 0.25 0.00 -1.95 0.00 0.00 55.36 53.16 2d8i s GLN 90 Cb 0.38 -2.37 1.06 0.00 -0.22 0.00 0.00 33.01 31.86 2d8i s GLN 90 CO 0.14 0.51 1.89 -1.00 -0.25 0.00 0.00 175.29 176.58 2d8i h PRO 91 N 3.40 0.00 -5.67 2.91 0.13 -1.91 -3.44 132.00 127.41 2d8i h PRO 91 Ca -0.48 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 2d8i h PRO 91 Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 2d8i h PRO 91 CO 0.55 0.20 -0.80 -1.54 -0.23 0.00 0.00 178.00 176.18 2d8i s SER 92 N -6.17 2.02 -0.00 1.44 1.04 -1.26 -0.25 113.70 110.52 2d8i s SER 92 Ca -0.00 -0.61 -0.10 0.00 0.48 0.00 0.00 55.95 55.71 2d8i s SER 92 Cb 0.11 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.14 2d8i s SER 92 CO 0.62 -0.00 0.20 -0.76 0.98 0.00 0.00 173.24 174.28 2d8i s LEU 93 N -1.68 1.31 -0.32 2.42 1.43 -0.42 -4.98 118.68 116.45 2d8i s LEU 93 Ca 0.02 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2d8i s LEU 93 Cb -0.10 0.88 0.10 0.00 0.03 0.00 0.00 46.19 47.11 2d8i s LEU 93 CO 0.03 -0.41 0.08 -0.83 0.23 0.00 0.00 176.35 175.45 2d8i s GLY 94 N -1.40 1.38 0.15 -3.19 0.00 -1.26 -0.36 107.32 102.64 2d8i s GLY 94 Ca -0.14 -1.98 -0.00 0.00 0.00 0.00 0.00 44.72 42.60 2d8i s GLY 94 CO 0.02 1.38 0.32 1.08 0.00 0.00 0.00 173.10 175.90 2d8i s LEU 95 N 1.36 4.29 -0.31 0.66 1.43 -0.79 0.04 118.68 125.36 2d8i s LEU 95 Ca 0.10 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2d8i s LEU 95 Cb -0.18 -3.07 0.10 0.00 0.03 0.00 0.00 46.19 43.07 2d8i s LEU 95 CO -0.19 0.04 0.07 -0.22 0.23 0.00 0.00 176.35 176.28 2d8i s LEU 96 N -3.05 3.06 0.30 1.79 2.96 -0.47 -1.95 118.68 121.33 2d8i s LEU 96 Ca 0.37 -1.76 0.10 0.00 -0.22 0.00 0.00 54.13 52.62 2d8i s LEU 96 Cb -0.12 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 2d8i s LEU 96 CO 0.28 -0.39 -0.07 0.68 -1.32 0.00 0.00 176.35 175.53 2d8i s VAL 97 N 1.37 2.76 0.20 1.68 -7.23 -1.18 -1.56 120.40 116.43 2d8i s VAL 97 Ca 0.09 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2d8i s VAL 97 Cb -0.18 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 2d8i s VAL 97 CO -0.18 -0.31 0.16 -0.13 -0.31 0.00 0.00 175.10 174.34 2d8i s ARG 98 N -3.63 2.92 0.22 4.82 0.52 -1.26 -0.38 118.95 122.16 2d8i s ARG 98 Ca 0.32 -0.94 -0.13 0.00 -0.52 0.00 0.00 55.73 54.46 2d8i s ARG 98 Cb -0.03 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.82 2d8i s ARG 98 CO 0.18 0.45 0.46 -0.08 0.02 0.00 0.00 175.30 176.33 2d8i s THR 99 N -1.90 0.02 0.11 0.02 -1.32 0.12 -4.93 115.64 107.75 2d8i s THR 99 Ca 0.32 -1.27 -0.24 0.00 -1.21 0.00 0.00 61.69 59.28 2d8i s THR 99 Cb -0.09 -2.02 -0.07 0.00 -1.51 0.00 0.00 72.50 68.81 2d8i s THR 99 CO 0.24 -0.07 0.74 -0.31 -2.21 0.00 0.00 174.62 173.01 2d8i s TYR 100 N -3.98 3.83 1.25 9.09 1.51 -1.26 -0.18 117.35 127.62 2d8i s TYR 100 Ca 0.19 1.52 -0.21 0.00 -1.01 0.00 0.00 57.07 57.56 2d8i s TYR 100 Cb -0.00 -2.74 0.31 0.00 -0.11 0.00 0.00 41.96 39.41 2d8i s TYR 100 CO 0.05 0.44 1.11 -0.35 -1.11 0.00 0.00 175.55 175.69 2d8i n PRO 101 N 2.03 -3.20 -3.96 -1.71 -0.04 -1.26 -4.92 135.00 121.95 2d8i n PRO 101 Ca -0.05 -1.77 -0.12 0.00 -0.04 0.00 0.00 63.50 61.52 2d8i n PRO 101 Cb 0.49 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2d8i n PRO 101 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2d8i s GLU 102 N -5.52 2.04 -0.43 0.54 8.01 -1.26 -5.04 118.70 117.05 2d8i s GLU 102 Ca 0.72 -1.58 -0.01 0.00 0.01 0.00 0.00 54.97 54.10 2d8i s GLU 102 Cb -0.07 0.53 0.27 0.00 -4.31 0.00 0.00 34.13 30.55 2d8i s GLU 102 CO 0.55 -0.90 2.06 1.28 0.01 0.00 0.00 175.26 178.26 2d8i n LEU 103 N -0.54 6.83 -2.97 1.80 4.32 -1.26 -4.58 117.00 120.59 2d8i n LEU 103 Ca -0.03 -3.62 -0.34 0.00 -0.02 0.00 0.00 56.01 51.99 2d8i n LEU 103 Cb 0.61 -1.05 0.01 0.00 -1.62 0.00 0.00 43.42 41.37 2d8i n LEU 103 CO 0.28 1.32 0.89 1.21 -1.22 0.00 0.00 177.39 179.87 2d8i n GLU 104 N 0.02 3.64 -3.39 3.23 4.07 -1.26 -5.00 120.64 121.95 2d8i n GLU 104 Ca 0.40 -4.31 -0.17 0.00 -0.06 0.00 0.00 57.16 53.02 2d8i n GLU 104 Cb 0.59 -2.30 -0.04 0.00 -0.06 0.00 0.00 31.44 29.63 2d8i n GLU 104 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2d8i n GLU 105 N -0.36 1.29 0.00 5.31 1.02 -1.26 -5.02 120.64 121.63 2d8i n GLU 105 Ca 0.44 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 2d8i n GLU 105 Cb 0.38 0.57 0.00 0.00 -0.02 0.00 0.00 31.44 32.37 2d8i n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d8i n GLY 106 N 1.71 3.60 2.91 0.62 0.00 -1.26 -4.49 105.19 108.28 2d8i n GLY 106 Ca -0.10 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.12 0.46 1.61 0.11 -1.26 -5.14 120.40 116.07 2d8i s VAL 107 Ca 0.00 0.23 -0.21 0.00 -2.93 0.00 0.00 61.98 59.07 2d8i s VAL 107 Cb 0.00 -0.27 -0.12 0.00 -1.53 0.00 0.00 36.38 34.46 2d8i s VAL 107 CO 0.00 0.09 0.43 -0.62 -3.33 0.00 0.00 175.10 171.68 2d8i n GLU 108 N 4.55 0.45 -3.96 1.54 1.02 -1.26 -4.95 120.64 118.03 2d8i n GLU 108 Ca -0.20 0.17 -0.35 0.00 -0.02 0.00 0.00 57.16 56.75 2d8i n GLU 108 Cb 0.51 -1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 30.36 2d8i n GLU 108 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2d8i s SER 109 N -1.01 5.04 0.01 1.62 1.04 -1.26 -5.10 113.70 114.05 2d8i s SER 109 Ca 0.63 -0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.81 2d8i s SER 109 Cb -0.56 -1.88 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 2d8i s SER 109 CO 0.58 0.05 0.31 -0.83 0.98 0.00 0.00 173.24 174.33 2d8i s GLY 110 N 1.13 2.31 0.07 7.32 0.00 -1.26 -5.01 107.32 111.87 2d8i s GLY 110 Ca 0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 2d8i s GLY 110 CO 0.02 -0.23 1.38 -0.56 0.00 0.00 0.00 173.10 173.72 2d8i h PRO 111 N 4.18 0.53 -6.30 2.90 0.13 -2.06 -3.44 132.00 127.93 2d8i h PRO 111 Ca -0.51 -0.28 -0.66 0.00 -0.87 0.00 0.00 66.00 63.68 2d8i h PRO 111 Cb 1.20 0.01 0.04 0.00 0.13 0.00 0.00 31.00 32.39 2d8i h PRO 111 CO 0.64 0.86 0.68 0.43 -0.23 0.00 0.00 178.00 180.38 2d8i n SER 112 N -4.41 2.30 -3.95 1.44 7.64 -1.26 -4.93 113.62 110.45 2d8i n SER 112 Ca -0.05 1.09 -0.30 0.00 1.01 0.00 0.00 58.87 60.62 2d8i n SER 112 Cb 0.41 -1.26 -0.11 0.00 -1.01 0.00 0.00 64.21 62.24 2d8i n SER 112 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8i s SER 113 N 1.49 4.94 0.00 6.43 0.15 -1.26 -5.23 113.70 120.22 2d8i s SER 113 Ca 0.86 -3.64 0.06 0.00 0.70 0.00 0.00 55.95 53.93 2d8i s SER 113 Cb -0.88 -1.69 0.33 0.00 -1.71 0.00 0.00 66.02 62.07 2d8i s SER 113 CO 0.49 -0.14 0.80 0.61 1.20 0.00 0.00 173.24 176.20