#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8l s HIS 4 N 0.00 3.47 -0.14 3.17 5.65 -1.26 -4.33 115.29 121.84 1i8l s HIS 4 Ca 0.00 0.81 0.01 0.00 0.25 0.00 0.00 55.06 56.14 1i8l s HIS 4 Cb 0.00 -2.55 0.02 0.00 -1.18 0.00 0.00 32.58 28.86 1i8l s HIS 4 CO 0.00 0.10 -0.17 0.08 -0.65 0.00 0.00 174.74 174.10 1i8l s VAL 5 N 0.88 1.73 -0.11 0.89 1.01 -1.26 -1.42 120.40 122.12 1i8l s VAL 5 Ca 0.24 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1i8l s VAL 5 Cb -0.15 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1i8l s VAL 5 CO 0.09 0.49 0.01 0.00 0.00 0.00 0.00 175.10 175.68 1i8l s ALA 6 N 1.22 3.26 -0.22 5.51 0.00 0.41 -4.16 121.76 127.78 1i8l s ALA 6 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 50.98 1i8l s ALA 6 Cb -0.14 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.48 1i8l s ALA 6 CO -0.08 0.47 0.58 1.14 0.00 0.00 0.00 175.76 177.88 1i8l s GLN 7 N -0.51 0.66 0.13 0.00 -2.07 -1.26 -0.29 119.66 116.32 1i8l s GLN 7 Ca 0.09 0.85 -0.35 0.00 -1.82 0.00 0.00 55.36 54.13 1i8l s GLN 7 Cb -0.12 0.29 -0.16 0.00 -1.09 0.00 0.00 33.01 31.93 1i8l s GLN 7 CO 0.02 -0.09 1.25 -2.30 -1.32 0.00 0.00 175.29 172.85 1i8l n PRO 8 N 3.01 1.15 0.16 9.60 -0.02 -1.26 -4.76 135.00 142.88 1i8l n PRO 8 Ca -0.15 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.75 1i8l n PRO 8 Cb 0.56 -1.98 0.30 0.00 -0.02 0.00 0.00 33.50 32.36 1i8l n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i8l h ALA 9 N 3.97 1.27 -3.05 3.55 0.00 -1.95 -3.32 119.26 119.72 1i8l h ALA 9 Ca -0.45 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 53.88 1i8l h ALA 9 Cb 1.34 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.78 1i8l h ALA 9 CO 0.74 0.54 -0.45 0.08 0.00 0.00 0.00 179.25 180.16 1i8l s VAL 10 N -4.07 -0.02 -0.06 0.00 1.01 -1.26 -0.88 120.40 115.13 1i8l s VAL 10 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1i8l s VAL 10 Cb 0.14 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 36.18 1i8l s VAL 10 CO 0.74 0.03 0.11 -0.69 0.00 0.00 0.00 175.10 175.29 1i8l s VAL 11 N 0.77 -0.14 -0.00 2.92 1.01 0.79 -4.89 120.40 120.86 1i8l s VAL 11 Ca -0.05 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 1i8l s VAL 11 Cb -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1i8l s VAL 11 CO -0.05 0.13 0.63 -1.48 0.00 0.00 0.00 175.10 174.33 1i8l s LEU 12 N 1.81 4.41 0.00 3.92 -0.00 -1.26 -0.43 118.68 127.12 1i8l s LEU 12 Ca -0.01 1.20 0.00 0.00 -0.00 0.00 0.00 54.13 55.32 1i8l s LEU 12 Cb -0.12 -2.98 0.00 0.00 -0.00 0.00 0.00 46.19 43.09 1i8l s LEU 12 CO -0.05 0.07 0.00 0.00 -0.00 0.00 0.00 176.35 176.37 1i8l n ALA 13 N 2.84 0.00 -2.30 1.48 0.00 1.36 -4.85 120.51 119.05 1i8l n ALA 13 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1i8l n ALA 13 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1i8l n ALA 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i8l s SER 14 N -2.04 1.08 0.25 0.00 0.15 -1.03 -4.89 113.70 107.22 1i8l s SER 14 Ca 0.00 -1.40 0.02 0.00 0.70 0.00 0.00 55.95 55.27 1i8l s SER 14 Cb 0.00 0.21 0.30 0.00 -1.71 0.00 0.00 66.02 64.81 1i8l s SER 14 CO 0.00 -0.76 1.62 0.77 1.20 0.00 0.00 173.24 176.07 1i8l h SER 15 N 2.40 0.45 0.29 5.45 4.64 -1.89 -3.24 113.55 121.65 1i8l h SER 15 Ca -0.38 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 60.73 1i8l h SER 15 Cb 1.25 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i8l h SER 15 CO 0.59 0.83 -0.14 0.03 -0.87 0.00 0.00 176.83 177.27 1i8l h ARG 16 N 0.34 -0.38 0.00 4.77 -0.00 -1.95 -3.39 114.38 113.78 1i8l h ARG 16 Ca 0.03 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1i8l h ARG 16 Cb 0.90 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.96 1i8l h ARG 16 CO 0.08 -0.25 0.00 0.41 0.00 0.00 0.00 179.97 180.20 1i8l n GLY 17 N -0.33 -0.00 3.78 0.04 0.00 -1.22 -4.78 105.19 102.67 1i8l n GLY 17 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1i8l n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i8l s ILE 18 N 0.00 5.41 0.09 -0.61 1.01 -1.26 -0.98 121.20 124.85 1i8l s ILE 18 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1i8l s ILE 18 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1i8l s ILE 18 CO 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 174.94 175.33 1i8l s ALA 19 N -0.14 1.11 0.22 9.38 0.00 -1.17 -2.46 121.76 128.70 1i8l s ALA 19 Ca 0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1i8l s ALA 19 Cb -0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1i8l s ALA 19 CO 0.00 0.03 0.24 -1.12 0.00 0.00 0.00 175.76 174.91 1i8l s SER 20 N -2.19 0.14 0.00 0.00 0.01 -1.26 -1.95 113.70 108.45 1i8l s SER 20 Ca 0.02 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.02 1i8l s SER 20 Cb -0.05 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1i8l s SER 20 CO 0.01 -0.94 0.00 2.22 0.41 0.00 0.00 173.24 174.94 1i8l n PHE 21 N -0.32 0.00 -2.06 2.43 -1.74 -1.12 -4.96 117.46 109.70 1i8l n PHE 21 Ca 0.01 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.57 1i8l n PHE 21 Cb 0.65 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.66 1i8l n PHE 21 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1i8l s VAL 22 N 0.00 3.58 -0.05 1.97 0.11 -1.26 -2.76 120.40 121.99 1i8l s VAL 22 Ca 0.00 0.80 -0.00 0.00 -2.93 0.00 0.00 61.98 59.84 1i8l s VAL 22 Cb 0.00 -3.30 0.03 0.00 -1.53 0.00 0.00 36.38 31.57 1i8l s VAL 22 CO 0.00 -0.39 0.00 0.00 -3.33 0.00 0.00 175.10 171.38 1i8l s GLU 24 N 1.51 1.89 0.13 0.00 2.02 0.60 0.61 118.70 125.46 1i8l s GLU 24 Ca -0.03 -1.06 0.04 0.00 0.02 0.00 0.00 54.97 53.94 1i8l s GLU 24 Cb -0.13 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 1i8l s GLU 24 CO -0.03 0.52 -0.10 1.52 0.02 0.00 0.00 175.26 177.19 1i8l s TYR 25 N -0.77 1.22 0.24 1.61 1.13 -0.15 0.16 117.35 120.79 1i8l s TYR 25 Ca 0.11 -0.71 -0.23 0.00 -1.41 0.00 0.00 57.07 54.83 1i8l s TYR 25 Cb -0.10 -0.63 -0.09 0.00 -1.10 0.00 0.00 41.96 40.04 1i8l s TYR 25 CO 0.02 0.06 0.80 0.00 -2.51 0.00 0.00 175.55 173.92 1i8l s ALA 26 N -2.99 3.36 -0.74 9.51 0.00 -0.50 -4.70 121.76 125.70 1i8l s ALA 26 Ca 0.13 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 1i8l s ALA 26 Cb 0.00 -2.96 0.19 0.00 0.00 0.00 0.00 23.12 20.35 1i8l s ALA 26 CO 0.01 0.27 0.58 -1.12 0.00 0.00 0.00 175.76 175.50 1i8l s SER 27 N -1.53 5.46 0.00 0.00 0.01 -1.26 -4.84 113.70 111.53 1i8l s SER 27 Ca 0.44 -3.35 0.00 0.00 1.31 0.00 0.00 55.95 54.35 1i8l s SER 27 Cb -0.19 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1i8l s SER 27 CO 0.23 -0.25 0.00 -2.65 0.41 0.00 0.00 173.24 170.98 1i8l n PRO 28 N 2.80 0.00 -2.38 12.44 -0.02 -1.26 -4.78 135.00 141.80 1i8l n PRO 28 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1i8l n PRO 28 Cb 0.37 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1i8l n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i8l n GLY 29 N 0.15 -0.33 3.56 -1.23 0.00 -1.26 -5.06 105.19 101.03 1i8l n GLY 29 Ca 0.00 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1i8l n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8l s LYS 30 N -2.00 2.74 0.00 1.61 0.00 -1.26 -4.91 119.74 115.93 1i8l s LYS 30 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 55.97 55.70 1i8l s LYS 30 Cb 0.00 -4.97 0.00 0.00 0.00 0.00 0.00 37.83 32.86 1i8l s LYS 30 CO 0.00 -3.06 0.31 0.00 0.00 0.00 0.00 175.35 172.61 1i8l n ALA 31 N 12.86 0.00 0.00 0.59 0.00 -1.26 -4.42 120.51 128.28 1i8l n ALA 31 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1i8l n ALA 31 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1i8l n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i8l n THR 32 N -0.44 0.00 -4.23 0.00 -1.04 -1.26 -3.79 114.28 103.51 1i8l n THR 32 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1i8l n THR 32 Cb 0.00 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.34 1i8l n THR 32 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1i8l s GLU 33 N 0.00 1.72 0.01 -2.82 2.12 -0.61 -2.54 118.70 116.58 1i8l s GLU 33 Ca 0.00 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1i8l s GLU 33 Cb 0.00 -1.58 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 1i8l s GLU 33 CO 0.00 -0.13 -0.02 0.08 -0.54 0.00 0.00 175.26 174.65 1i8l s VAL 34 N 1.21 0.10 -0.24 3.70 1.01 -0.71 -2.02 120.40 123.44 1i8l s VAL 34 Ca -0.04 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1i8l s VAL 34 Cb -0.14 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.15 1i8l s VAL 34 CO -0.03 -0.17 -0.06 -0.60 0.00 0.00 0.00 175.10 174.24 1i8l s ARG 35 N -0.56 1.70 -0.09 2.72 3.52 0.03 -0.53 118.95 125.74 1i8l s ARG 35 Ca -0.05 -1.07 -0.21 0.00 -0.13 0.00 0.00 55.73 54.27 1i8l s ARG 35 Cb -0.04 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1i8l s ARG 35 CO -0.00 -0.61 0.59 0.08 -0.81 0.00 0.00 175.30 174.55 1i8l s VAL 36 N 1.34 5.11 -0.09 7.11 1.01 -0.61 -1.36 120.40 132.92 1i8l s VAL 36 Ca -0.06 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.15 1i8l s VAL 36 Cb -0.19 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1i8l s VAL 36 CO -0.06 0.29 -0.14 -0.89 0.00 0.00 0.00 175.10 174.30 1i8l s THR 37 N 0.68 1.34 -0.36 3.92 2.01 0.13 -1.82 115.64 121.55 1i8l s THR 37 Ca 0.32 -0.57 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1i8l s THR 37 Cb -0.17 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.11 1i8l s THR 37 CO 0.14 0.41 0.24 -0.69 -0.69 0.00 0.00 174.62 174.03 1i8l s VAL 38 N 0.90 5.05 0.34 3.82 1.01 -0.69 0.07 120.40 130.90 1i8l s VAL 38 Ca -0.09 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1i8l s VAL 38 Cb -0.15 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1i8l s VAL 38 CO 0.00 -0.12 0.45 -0.76 0.00 0.00 0.00 175.10 174.68 1i8l s LEU 39 N 1.67 3.89 -0.25 3.92 1.43 0.74 0.13 118.68 130.20 1i8l s LEU 39 Ca 0.05 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1i8l s LEU 39 Cb -0.18 -2.66 0.08 0.00 0.03 0.00 0.00 46.19 43.46 1i8l s LEU 39 CO 0.09 -0.46 0.09 -0.60 0.23 0.00 0.00 176.35 175.71 1i8l s ARG 40 N -4.17 0.38 0.00 1.70 6.06 0.26 -2.03 118.95 121.15 1i8l s ARG 40 Ca 0.45 -0.54 -0.17 0.00 -2.50 0.00 0.00 55.73 52.98 1i8l s ARG 40 Cb -0.09 -1.68 -0.06 0.00 0.06 0.00 0.00 34.95 33.19 1i8l s ARG 40 CO 0.31 -0.86 0.47 -1.14 -2.50 0.00 0.00 175.30 171.57 1i8l s GLN 41 N 1.95 4.08 -0.29 5.12 0.74 -0.52 -1.48 119.66 129.27 1i8l s GLN 41 Ca 0.06 0.52 -0.17 0.00 0.05 0.00 0.00 55.36 55.82 1i8l s GLN 41 Cb -0.16 -3.27 0.15 0.00 1.10 0.00 0.00 33.01 30.83 1i8l s GLN 41 CO -0.23 0.58 1.02 0.00 -0.55 0.00 0.00 175.29 176.11 1i8l s ALA 42 N -0.77 -2.29 -1.60 1.58 0.00 -0.80 -3.49 121.76 114.39 1i8l s ALA 42 Ca 0.26 2.14 0.00 0.00 0.00 0.00 0.00 51.96 54.36 1i8l s ALA 42 Cb -0.17 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1i8l s ALA 42 CO 0.15 -0.33 0.00 -0.25 0.00 0.00 0.00 175.76 175.33 1i8l n ASP 43 N 3.47 -5.40 0.00 0.00 8.00 -1.26 -1.01 116.55 120.35 1i8l n ASP 43 Ca -0.18 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1i8l n ASP 43 Cb 0.57 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 1i8l n ASP 43 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1i8l n SER 44 N -1.05 0.00 -4.69 -2.24 2.88 -1.26 -5.01 113.62 102.25 1i8l n SER 44 Ca -0.15 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.97 1i8l n SER 44 Cb 0.59 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 1i8l n SER 44 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1i8l s GLN 45 N -0.13 4.26 0.01 -1.46 -0.21 -0.18 -5.01 119.66 116.94 1i8l s GLN 45 Ca 0.00 2.07 -0.09 0.00 0.02 0.00 0.00 55.36 57.36 1i8l s GLN 45 Cb 0.00 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 30.39 1i8l s GLN 45 CO 0.00 -0.62 0.31 0.14 -2.12 0.00 0.00 175.29 173.00 1i8l s VAL 46 N 2.42 5.23 0.03 1.09 -7.23 -1.26 -1.90 120.40 118.78 1i8l s VAL 46 Ca 0.67 0.36 0.01 0.00 -1.81 0.00 0.00 61.98 61.21 1i8l s VAL 46 Cb -0.34 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 32.99 1i8l s VAL 46 CO 0.28 0.42 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.54 1i8l s THR 47 N -1.25 0.36 -0.08 5.32 2.01 -0.55 -4.93 115.64 116.52 1i8l s THR 47 Ca 0.27 -0.83 -0.20 0.00 0.31 0.00 0.00 61.69 61.23 1i8l s THR 47 Cb -0.14 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1i8l s THR 47 CO 0.15 -0.32 0.57 -0.70 -0.69 0.00 0.00 174.62 173.63 1i8l s GLU 48 N -1.22 4.37 -0.11 4.92 2.12 -1.26 0.89 118.70 128.40 1i8l s GLU 48 Ca -0.09 0.64 0.18 0.00 0.36 0.00 0.00 54.97 56.06 1i8l s GLU 48 Cb -0.08 -3.43 -0.25 0.00 0.26 0.00 0.00 34.13 30.64 1i8l s GLU 48 CO -0.00 0.15 0.32 0.28 -0.54 0.00 0.00 175.26 175.48 1i8l n VAL 49 N 3.58 1.13 0.00 3.70 0.31 0.34 -4.90 118.33 122.49 1i8l n VAL 49 Ca -0.05 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1i8l n VAL 49 Cb 0.51 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1i8l n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i8l s ALA 51 N -2.00 -2.03 0.07 0.00 0.00 -1.26 -1.70 121.76 114.85 1i8l s ALA 51 Ca 0.00 1.36 -0.27 0.00 0.00 0.00 0.00 51.96 53.05 1i8l s ALA 51 Cb 0.00 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.26 1i8l s ALA 51 CO 0.00 -0.67 0.95 0.00 0.00 0.00 0.00 175.76 176.04 1i8l s ALA 52 N -2.58 -1.76 -0.13 0.00 0.00 -0.75 -4.79 121.76 111.75 1i8l s ALA 52 Ca 0.09 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1i8l s ALA 52 Cb -0.00 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1i8l s ALA 52 CO -0.05 -0.89 -0.16 0.99 0.00 0.00 0.00 175.76 175.65 1i8l s THR 53 N -3.16 1.60 0.04 0.00 2.01 -1.26 -1.57 115.64 113.30 1i8l s THR 53 Ca 0.09 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 1i8l s THR 53 Cb -0.01 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1i8l s THR 53 CO -0.03 0.46 0.25 -0.72 -0.69 0.00 0.00 174.62 173.89 1i8l s TYR 54 N 1.19 3.54 -0.68 4.92 -0.00 0.31 -4.83 117.35 121.80 1i8l s TYR 54 Ca -0.01 0.43 -0.01 0.00 -0.00 0.00 0.00 57.07 57.48 1i8l s TYR 54 Cb -0.14 -1.89 0.42 0.00 -0.00 0.00 0.00 41.96 40.35 1i8l s TYR 54 CO -0.06 0.59 1.92 -1.33 -0.00 0.00 0.00 175.55 176.67 1i8l n MET 55 N 0.71 2.82 0.00 -3.49 2.81 -1.26 -1.74 117.12 116.98 1i8l n MET 55 Ca -0.08 -3.49 0.00 0.00 -1.81 0.00 0.00 57.70 52.31 1i8l n MET 55 Cb 0.52 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 1i8l n MET 55 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1i8l n MET 56 N -0.77 0.00 -2.05 0.03 1.56 -1.05 -4.35 117.12 110.49 1i8l n MET 56 Ca 0.57 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.58 1i8l n MET 56 Cb 0.56 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.93 1i8l n MET 56 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1i8l n GLY 57 N 0.00 4.07 1.17 -5.12 0.00 -1.26 -4.18 105.19 99.87 1i8l n GLY 57 Ca 0.00 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 1i8l n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i8l n ASN 58 N 6.18 -0.98 -1.71 1.61 3.02 -1.26 -5.09 115.26 117.03 1i8l n ASN 58 Ca 0.49 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 1i8l n ASN 58 Cb 0.40 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 1i8l n ASN 58 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1i8l n GLU 59 N -0.19 -0.21 -0.17 3.52 0.28 -1.26 -4.68 120.64 117.94 1i8l n GLU 59 Ca -0.25 0.40 -0.05 0.00 -0.16 0.00 0.00 57.16 57.10 1i8l n GLU 59 Cb 0.69 -0.44 0.00 0.00 1.43 0.00 0.00 31.44 33.12 1i8l n GLU 59 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1i8l n LEU 60 N 1.02 -0.53 -3.65 -1.84 7.94 -1.26 -4.66 117.00 114.03 1i8l n LEU 60 Ca 0.00 0.09 -0.03 0.00 -1.11 0.00 0.00 56.01 54.96 1i8l n LEU 60 Cb 0.19 -0.12 -0.05 0.00 0.53 0.00 0.00 43.42 43.98 1i8l n LEU 60 CO 0.00 -0.67 0.29 -0.89 -1.11 0.00 0.00 177.39 175.00 1i8l s THR 61 N -0.28 -0.68 0.00 1.96 2.01 -1.26 -4.41 115.64 112.98 1i8l s THR 61 Ca 0.08 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1i8l s THR 61 Cb -0.07 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.45 1i8l s THR 61 CO 0.09 0.00 0.00 0.49 -0.69 0.00 0.00 174.62 174.51 1i8l n PHE 62 N 5.09 -0.27 -3.23 4.92 3.01 -1.26 -4.71 117.46 121.02 1i8l n PHE 62 Ca -0.15 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.07 1i8l n PHE 62 Cb 0.52 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.98 1i8l n PHE 62 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 1i8l s LEU 63 N 0.00 3.94 0.15 4.37 2.34 -1.26 -5.01 118.68 123.20 1i8l s LEU 63 Ca 0.00 0.55 -0.16 0.00 0.06 0.00 0.00 54.13 54.58 1i8l s LEU 63 Cb 0.00 -3.43 0.03 0.00 -0.56 0.00 0.00 46.19 42.22 1i8l s LEU 63 CO 0.00 -0.35 1.79 -2.24 -1.06 0.00 0.00 176.35 174.49 1i8l h ASP 64 N 0.67 0.32 -0.52 1.48 -0.00 -1.97 -3.12 116.42 113.28 1i8l h ASP 64 Ca -0.49 0.01 -0.08 0.00 -0.00 0.00 0.00 57.03 56.47 1i8l h ASP 64 Cb 1.22 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 40.47 1i8l h ASP 64 CO 0.61 0.23 0.01 -2.24 -0.00 0.00 0.00 179.24 177.86 1i8l h ASP 65 N 0.42 0.88 -2.21 4.15 2.03 -1.98 -3.46 116.42 116.24 1i8l h ASP 65 Ca 0.15 -0.30 -0.59 0.00 -0.73 0.00 0.00 57.03 55.55 1i8l h ASP 65 Cb 0.03 -0.24 0.18 0.00 -0.83 0.00 0.00 39.33 38.47 1i8l h ASP 65 CO -0.08 0.97 -1.03 -0.24 -1.03 0.00 0.00 179.24 177.83 1i8l n SER 66 N -4.31 -3.23 0.11 4.15 2.88 -1.18 -4.92 113.62 107.11 1i8l n SER 66 Ca 0.01 0.64 0.04 0.00 -1.33 0.00 0.00 58.87 58.24 1i8l n SER 66 Cb 0.31 -0.92 -0.00 0.00 -0.75 0.00 0.00 64.21 62.86 1i8l n SER 66 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1i8l h ILE 67 N -0.02 0.52 -3.81 2.46 3.07 -1.89 -3.47 117.51 114.37 1i8l h ILE 67 Ca -0.42 -1.84 -0.47 0.00 1.55 0.00 0.00 64.86 63.68 1i8l h ILE 67 Cb 1.43 2.11 0.07 0.00 -0.27 0.00 0.00 36.82 40.16 1i8l h ILE 67 CO 0.42 0.30 0.23 0.00 -1.05 0.00 0.00 178.15 178.04 1i8l s THR 69 N -3.14 0.07 0.21 0.00 2.01 -1.11 -4.84 115.64 108.84 1i8l s THR 69 Ca 0.57 -0.61 -0.23 0.00 0.31 0.00 0.00 61.69 61.74 1i8l s THR 69 Cb -0.11 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.34 1i8l s THR 69 CO 0.46 -0.34 0.91 -0.83 -0.69 0.00 0.00 174.62 174.13 1i8l s GLY 70 N -2.57 -0.07 -0.14 4.40 0.00 -1.26 -1.10 107.32 106.58 1i8l s GLY 70 Ca 0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.50 1i8l s GLY 70 CO -0.09 0.38 0.35 -1.59 0.00 0.00 0.00 173.10 172.15 1i8l s THR 71 N -3.09 -0.03 0.37 0.90 2.01 -1.17 -4.45 115.64 110.18 1i8l s THR 71 Ca 0.14 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 1i8l s THR 71 Cb -0.03 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1i8l s THR 71 CO 0.05 0.04 0.66 -0.55 -0.69 0.00 0.00 174.62 174.12 1i8l s SER 72 N 1.15 6.40 -0.30 3.53 0.15 -1.26 -0.15 113.70 123.21 1i8l s SER 72 Ca -0.08 0.82 -0.18 0.00 0.70 0.00 0.00 55.95 57.22 1i8l s SER 72 Cb -0.08 -2.19 0.20 0.00 -1.71 0.00 0.00 66.02 62.23 1i8l s SER 72 CO -0.09 -0.35 1.26 -0.55 1.20 0.00 0.00 173.24 174.70 1i8l s SER 73 N -3.51 -0.11 0.44 5.45 0.15 -0.77 -4.69 113.70 110.66 1i8l s SER 73 Ca 0.46 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1i8l s SER 73 Cb -0.10 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1i8l s SER 73 CO 0.35 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1i8l n GLY 74 N 4.09 2.47 2.36 9.45 0.00 -1.26 -0.19 105.19 122.11 1i8l n GLY 74 Ca -0.10 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1i8l n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i8l n ASN 75 N 1.00 7.53 -4.01 1.61 3.02 -1.26 -4.92 115.26 118.23 1i8l n ASN 75 Ca 0.00 -3.79 -0.08 0.00 -0.03 0.00 0.00 54.58 50.67 1i8l n ASN 75 Cb 0.00 -0.95 -0.11 0.00 -0.61 0.00 0.00 39.78 38.12 1i8l n ASN 75 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1i8l s GLN 76 N -3.83 0.40 -0.03 3.52 1.11 0.73 -0.98 119.66 120.58 1i8l s GLN 76 Ca 0.63 -0.78 0.01 0.00 0.01 0.00 0.00 55.36 55.23 1i8l s GLN 76 Cb 0.50 0.14 0.02 0.00 -1.01 0.00 0.00 33.01 32.66 1i8l s GLN 76 CO -0.04 -0.07 -0.04 0.14 0.01 0.00 0.00 175.29 175.29 1i8l s VAL 77 N -2.18 0.44 -1.30 1.09 -7.23 0.20 -1.85 120.40 109.58 1i8l s VAL 77 Ca -0.09 -0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 59.84 1i8l s VAL 77 Cb -0.05 -0.45 0.14 0.00 0.56 0.00 0.00 36.38 36.58 1i8l s VAL 77 CO -0.04 0.18 1.84 -3.20 -0.31 0.00 0.00 175.10 173.57 1i8l n ASN 78 N 3.73 4.89 -4.68 4.85 5.15 0.78 -0.33 115.26 129.65 1i8l n ASN 78 Ca -0.22 -3.02 -0.30 0.00 -0.60 0.00 0.00 54.58 50.44 1i8l n ASN 78 Cb 0.53 -1.55 0.15 0.00 -0.53 0.00 0.00 39.78 38.38 1i8l n ASN 78 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1i8l s LEU 79 N 0.99 2.38 -0.45 1.20 1.43 -1.11 -3.05 118.68 120.06 1i8l s LEU 79 Ca 0.43 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.32 1i8l s LEU 79 Cb 0.07 -4.15 0.19 0.00 0.03 0.00 0.00 46.19 42.33 1i8l s LEU 79 CO -0.01 -2.88 0.82 -0.89 0.23 0.00 0.00 176.35 173.63 1i8l s THR 80 N -2.78 -0.76 1.34 5.49 2.01 -0.26 -2.78 115.64 117.92 1i8l s THR 80 Ca 0.65 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1i8l s THR 80 Cb -0.20 0.00 0.34 0.00 0.01 0.00 0.00 72.50 72.65 1i8l s THR 80 CO 0.58 0.00 0.98 -0.63 -0.69 0.00 0.00 174.62 174.86 1i8l s ILE 81 N 1.13 1.39 0.02 1.82 1.01 -0.82 -2.74 121.20 123.01 1i8l s ILE 81 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 1i8l s ILE 81 Cb 0.03 -2.17 0.10 0.00 0.01 0.00 0.00 42.46 40.43 1i8l s ILE 81 CO -0.07 0.00 1.07 -1.58 0.00 0.00 0.00 174.94 174.36 1i8l s GLN 82 N -5.08 0.77 -1.18 2.79 0.74 -1.16 -3.06 119.66 113.48 1i8l s GLN 82 Ca 0.69 -0.38 -0.03 0.00 0.05 0.00 0.00 55.36 55.68 1i8l s GLN 82 Cb -0.14 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.26 1i8l s GLN 82 CO 0.58 -0.35 0.43 0.41 -0.55 0.00 0.00 175.29 175.81 1i8l n GLY 83 N -0.38 -0.22 3.67 2.59 0.00 -0.95 -4.89 105.19 105.01 1i8l n GLY 83 Ca -0.06 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1i8l n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i8l s LEU 84 N -5.07 4.17 0.00 0.99 1.43 -0.15 -5.04 118.68 115.01 1i8l s LEU 84 Ca 0.21 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1i8l s LEU 84 Cb -0.09 -2.89 0.05 0.00 0.03 0.00 0.00 46.19 43.29 1i8l s LEU 84 CO 0.26 -0.23 0.38 -2.11 0.23 0.00 0.00 176.35 174.88 1i8l n ARG 85 N 4.78 0.46 0.13 1.70 0.00 -1.26 -4.41 116.66 118.07 1i8l n ARG 85 Ca -0.02 -1.12 -0.01 0.00 -0.00 0.00 0.00 57.85 56.70 1i8l n ARG 85 Cb 0.50 -0.22 0.15 0.00 -0.00 0.00 0.00 32.46 32.89 1i8l n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1i8l h ALA 86 N -0.29 0.91 0.00 2.89 0.00 -1.90 -2.99 119.26 117.88 1i8l h ALA 86 Ca -0.12 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 1i8l h ALA 86 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1i8l h ALA 86 CO 0.14 0.80 -0.20 0.00 0.00 0.00 0.00 179.25 180.00 1i8l h MET 87 N 0.00 0.00 -0.02 0.00 -0.00 -1.95 -2.68 114.93 110.28 1i8l h MET 87 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1i8l h MET 87 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.76 1i8l h MET 87 CO 0.08 0.20 0.00 -0.25 -0.00 0.00 0.00 176.91 176.94 1i8l n ASP 88 N -3.78 0.02 -4.74 -0.10 8.00 -1.13 -4.82 116.55 110.01 1i8l n ASP 88 Ca -0.02 -1.80 -0.41 0.00 0.71 0.00 0.00 54.79 53.28 1i8l n ASP 88 Cb 0.30 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1i8l n ASP 88 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1i8l s THR 89 N -1.97 4.16 -2.81 -3.53 -1.32 -1.01 -4.93 115.64 104.22 1i8l s THR 89 Ca 0.00 1.91 0.00 0.00 -1.21 0.00 0.00 61.69 62.39 1i8l s THR 89 Cb 0.00 -4.22 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 1i8l s THR 89 CO 0.00 0.35 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 1i8l n GLY 90 N 1.96 -1.19 3.66 6.08 0.00 -0.77 -5.01 105.19 109.92 1i8l n GLY 90 Ca 0.01 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 1i8l n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i8l s LEU 91 N 0.00 4.15 -0.46 0.99 2.96 -1.23 -0.47 118.68 124.63 1i8l s LEU 91 Ca 0.00 0.76 -0.06 0.00 -0.22 0.00 0.00 54.13 54.62 1i8l s LEU 91 Cb 0.00 -2.80 0.12 0.00 0.50 0.00 0.00 46.19 44.01 1i8l s LEU 91 CO 0.00 -0.22 0.29 -0.31 -1.32 0.00 0.00 176.35 174.79 1i8l s TYR 92 N 1.72 3.51 -0.06 5.38 1.51 -0.70 -1.43 117.35 127.27 1i8l s TYR 92 Ca 0.27 -2.19 -0.30 0.00 -1.01 0.00 0.00 57.07 53.84 1i8l s TYR 92 Cb -0.16 -3.36 -0.03 0.00 -0.11 0.00 0.00 41.96 38.31 1i8l s TYR 92 CO 0.10 -0.98 1.16 0.42 -1.11 0.00 0.00 175.55 175.14 1i8l s ILE 93 N 1.15 4.37 -0.35 2.71 1.01 -0.86 -2.27 121.20 126.95 1i8l s ILE 93 Ca 0.08 1.68 -0.13 0.00 0.00 0.00 0.00 60.65 62.28 1i8l s ILE 93 Cb -0.24 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1i8l s ILE 93 CO -0.03 0.01 0.25 0.00 0.00 0.00 0.00 174.94 175.17 1i8l s LYS 95 N 1.71 3.40 -0.07 0.00 2.20 0.11 -1.67 119.74 125.42 1i8l s LYS 95 Ca 0.06 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1i8l s LYS 95 Cb -0.18 -2.96 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1i8l s LYS 95 CO 0.10 0.52 -0.14 0.08 -0.36 0.00 0.00 175.35 175.55 1i8l s VAL 96 N -0.36 1.30 -0.14 4.02 1.01 0.19 0.20 120.40 126.61 1i8l s VAL 96 Ca 0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1i8l s VAL 96 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1i8l s VAL 96 CO 0.02 0.39 -0.14 -1.61 0.00 0.00 0.00 175.10 173.76 1i8l s GLU 97 N 0.60 3.33 -0.75 2.72 2.02 -0.46 0.41 118.70 126.57 1i8l s GLU 97 Ca -0.15 -0.71 -0.19 0.00 0.02 0.00 0.00 54.97 53.94 1i8l s GLU 97 Cb -0.16 -2.64 0.12 0.00 0.10 0.00 0.00 34.13 31.55 1i8l s GLU 97 CO 0.05 0.14 0.90 -0.51 0.02 0.00 0.00 175.26 175.86 1i8l s LEU 98 N 0.53 5.27 -0.00 1.80 1.43 0.51 -0.79 118.68 127.42 1i8l s LEU 98 Ca -0.09 -1.72 -0.21 0.00 -1.03 0.00 0.00 54.13 51.09 1i8l s LEU 98 Cb -0.16 -2.34 -0.22 0.00 0.03 0.00 0.00 46.19 43.50 1i8l s LEU 98 CO 0.04 -1.09 1.11 0.24 0.23 0.00 0.00 176.35 176.88 1i8l h MET 99 N 8.96 0.37 -1.71 1.70 2.86 -1.70 -2.67 114.93 122.74 1i8l h MET 99 Ca -0.09 -0.36 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1i8l h MET 99 Cb 1.06 0.09 -0.23 0.00 0.06 0.00 0.00 31.60 32.58 1i8l h MET 99 CO 1.07 1.03 0.40 -0.47 1.06 0.00 0.00 176.91 180.01 1i8l s TYR 100 N -3.32 -0.50 0.64 -0.22 5.04 -1.19 -4.46 117.35 113.33 1i8l s TYR 100 Ca -0.14 1.01 -0.15 0.00 -2.44 0.00 0.00 57.07 55.35 1i8l s TYR 100 Cb 0.03 0.40 -0.01 0.00 0.35 0.00 0.00 41.96 42.73 1i8l s TYR 100 CO 0.80 -0.38 1.10 -1.25 -1.34 0.00 0.00 175.55 174.49 1i8l s PRO 101 N -0.64 2.91 1.04 4.97 0.04 -1.25 -1.57 135.00 140.50 1i8l s PRO 101 Ca -0.02 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 1i8l s PRO 101 Cb -0.02 -1.97 0.21 0.00 0.04 0.00 0.00 34.50 32.77 1i8l s PRO 101 CO 0.01 -1.16 1.08 -1.25 0.04 0.00 0.00 177.00 175.72 1i8l s PRO 102 N -4.07 0.11 1.05 0.56 0.04 -1.26 -4.78 135.00 126.64 1i8l s PRO 102 Ca 0.67 0.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 1i8l s PRO 102 Cb -0.20 -1.70 0.18 0.00 0.04 0.00 0.00 34.50 32.82 1i8l s PRO 102 CO 0.40 -2.96 0.81 -2.30 0.04 0.00 0.00 177.00 172.99 1i8l n PRO 103 N -4.34 -1.33 -3.62 0.56 -0.02 -1.26 -5.12 135.00 119.87 1i8l n PRO 103 Ca 0.05 -0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 60.83 1i8l n PRO 103 Cb 0.57 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 1i8l n PRO 103 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1i8l s TYR 104 N -2.46 3.59 -0.04 6.00 5.04 -1.26 -4.81 117.35 123.42 1i8l s TYR 104 Ca 0.64 0.74 0.02 0.00 -2.44 0.00 0.00 57.07 56.04 1i8l s TYR 104 Cb -0.22 -2.12 0.01 0.00 0.35 0.00 0.00 41.96 39.98 1i8l s TYR 104 CO 0.63 0.55 -0.08 0.71 -1.34 0.00 0.00 175.55 176.02 1i8l s TYR 105 N -1.35 1.00 -0.10 4.97 1.51 -1.00 -4.96 117.35 117.41 1i8l s TYR 105 Ca 0.31 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 56.06 1i8l s TYR 105 Cb -0.14 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1i8l s TYR 105 CO 0.17 -0.16 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.27 1i8l s LEU 106 N 0.49 3.49 -0.03 -1.29 2.96 -1.26 -0.36 118.68 122.68 1i8l s LEU 106 Ca -0.08 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1i8l s LEU 106 Cb -0.12 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.79 1i8l s LEU 106 CO 0.01 0.33 -0.00 -0.83 -1.32 0.00 0.00 176.35 174.54 1i8l s GLY 107 N -0.58 0.23 -0.07 7.98 0.00 0.17 -0.56 107.32 114.48 1i8l s GLY 107 Ca 0.10 0.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.97 1i8l s GLY 107 CO 0.02 0.55 -0.04 -0.42 0.00 0.00 0.00 173.10 173.21 1i8l s ILE 108 N 0.94 0.62 0.82 0.90 1.01 -1.26 0.54 121.20 124.76 1i8l s ILE 108 Ca -0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 1i8l s ILE 108 Cb -0.13 -0.69 0.10 0.00 0.01 0.00 0.00 42.46 41.75 1i8l s ILE 108 CO -0.02 0.28 1.17 -0.83 0.00 0.00 0.00 174.94 175.55 1i8l s GLY 109 N 1.49 1.64 0.30 6.18 0.00 -0.67 -4.39 107.32 111.87 1i8l s GLY 109 Ca -0.01 -0.80 0.15 0.00 0.00 0.00 0.00 44.72 44.05 1i8l s GLY 109 CO -0.04 -0.28 1.57 -0.57 0.00 0.00 0.00 173.10 173.78 1i8l h ASN 110 N -1.07 0.00 -5.00 1.64 -0.73 -1.89 -3.42 115.58 105.11 1i8l h ASN 110 Ca -0.45 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.72 1i8l h ASN 110 Cb 1.31 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.90 1i8l h ASN 110 CO 0.60 0.54 0.00 0.61 -0.37 0.00 0.00 177.43 178.81 1i8l n GLY 111 N 0.67 3.25 2.82 1.57 0.00 -1.26 -4.85 105.19 107.39 1i8l n GLY 111 Ca 0.00 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 1i8l n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8l s ALA 112 N -2.64 1.34 -0.18 4.61 0.00 -0.96 -4.39 121.76 119.54 1i8l s ALA 112 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1i8l s ALA 112 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1i8l s ALA 112 CO 0.00 -1.07 1.51 -1.14 0.00 0.00 0.00 175.76 175.05 1i8l s GLN 113 N 1.69 3.99 -0.28 0.00 2.00 -0.06 -1.72 119.66 125.29 1i8l s GLN 113 Ca -0.02 1.73 -0.11 0.00 -2.00 0.00 0.00 55.36 54.96 1i8l s GLN 113 Cb -0.17 -3.95 -0.05 0.00 0.80 0.00 0.00 33.01 29.64 1i8l s GLN 113 CO -0.07 -1.04 0.19 0.42 -0.50 0.00 0.00 175.29 174.29 1i8l s ILE 114 N 4.47 5.31 -0.23 -2.34 1.01 0.38 -0.15 121.20 129.64 1i8l s ILE 114 Ca 0.66 0.19 -0.09 0.00 0.00 0.00 0.00 60.65 61.41 1i8l s ILE 114 Cb -0.25 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1i8l s ILE 114 CO 0.25 0.25 0.12 -0.31 0.00 0.00 0.00 174.94 175.26 1i8l s TYR 115 N 1.71 3.24 -0.05 3.97 2.02 0.42 -1.85 117.35 126.82 1i8l s TYR 115 Ca 0.07 0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1i8l s TYR 115 Cb -0.16 -2.23 0.02 0.00 -0.40 0.00 0.00 41.96 39.19 1i8l s TYR 115 CO 0.10 -0.03 -0.04 0.54 -1.57 0.00 0.00 175.55 174.55 1i8l s VAL 116 N 1.11 0.52 -0.12 0.71 0.11 -1.26 0.41 120.40 121.87 1i8l s VAL 116 Ca 0.06 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1i8l s VAL 116 Cb -0.14 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1i8l s VAL 116 CO 0.04 0.23 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.19 1i8l s ILE 117 N 1.01 1.98 -0.33 7.04 1.01 -1.26 -4.22 121.20 126.43 1i8l s ILE 117 Ca -0.10 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.43 1i8l s ILE 117 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 1i8l s ILE 117 CO -0.00 0.54 0.51 1.51 0.00 0.00 0.00 174.94 177.50 1i8l s ASP 118 N 0.70 6.34 0.32 3.58 3.84 -1.26 -4.71 116.67 125.48 1i8l s ASP 118 Ca -0.10 0.09 -0.17 0.00 -0.00 0.00 0.00 52.55 52.37 1i8l s ASP 118 Cb -0.16 -2.27 -0.12 0.00 -1.38 0.00 0.00 42.92 38.99 1i8l s ASP 118 CO 0.01 -0.44 0.06 -2.65 -0.00 0.00 0.00 175.17 172.15 1i8l n PRO 119 N 5.71 0.00 0.00 2.11 -0.02 -1.26 -4.97 135.00 136.56 1i8l n PRO 119 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1i8l n PRO 119 Cb 0.49 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 1i8l n PRO 119 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87