#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l5i s GLY 5 N 0.00 -0.45 0.12 0.46 0.00 -1.26 -5.18 107.32 101.01 1l5i s GLY 5 Ca 0.00 1.81 0.04 0.00 0.00 0.00 0.00 44.72 46.57 1l5i s GLY 5 CO 0.00 1.28 -0.10 1.09 0.00 0.00 0.00 173.10 175.36 1l5i s ARG 6 N -0.61 0.97 -0.67 2.90 1.70 -1.26 -5.10 118.95 116.89 1l5i s ARG 6 Ca -0.05 -1.32 -0.27 0.00 -0.47 0.00 0.00 55.73 53.62 1l5i s ARG 6 Cb -0.02 -0.60 0.03 0.00 -0.57 0.00 0.00 34.95 33.78 1l5i s ARG 6 CO 0.04 0.08 1.29 0.12 -1.08 0.00 0.00 175.30 175.76 1l5i s PHE 7 N -2.90 2.35 -0.14 5.89 5.36 -1.26 -4.96 117.98 122.32 1l5i s PHE 7 Ca 0.12 0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1l5i s PHE 7 Cb -0.00 -4.55 0.04 0.00 -0.34 0.00 0.00 43.02 38.17 1l5i s PHE 7 CO 0.00 -1.93 -0.01 -1.54 -1.46 0.00 0.00 175.22 170.28 1l5i s SER 8 N 3.76 2.37 -0.14 6.13 1.04 -1.26 -4.19 113.70 121.42 1l5i s SER 8 Ca 0.40 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 1l5i s SER 8 Cb -0.08 -0.66 -0.03 0.00 0.10 0.00 0.00 66.02 65.35 1l5i s SER 8 CO 0.19 -0.22 -0.02 -0.63 0.98 0.00 0.00 173.24 173.54 1l5i s ILE 9 N 1.82 4.03 -0.18 -1.02 1.01 -1.14 -4.91 121.20 120.81 1l5i s ILE 9 Ca 0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1l5i s ILE 9 Cb -0.14 -2.75 0.06 0.00 0.01 0.00 0.00 42.46 39.63 1l5i s ILE 9 CO -0.07 0.51 0.03 -0.54 0.00 0.00 0.00 174.94 174.88 1l5i s LYS 10 N 0.12 0.63 0.15 2.79 -0.14 -1.26 0.68 119.74 122.71 1l5i s LYS 10 Ca -0.00 -0.35 -0.24 0.00 -1.36 0.00 0.00 55.97 54.02 1l5i s LYS 10 Cb -0.13 -1.98 0.06 0.00 -1.68 0.00 0.00 37.83 34.10 1l5i s LYS 10 CO 0.02 -0.60 0.73 0.00 -0.76 0.00 0.00 175.35 174.74 1l5i s ALA 11 N 1.88 -1.56 0.05 5.17 0.00 -0.97 -4.96 121.76 121.37 1l5i s ALA 11 Ca -0.00 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1l5i s ALA 11 Cb -0.16 0.75 -0.25 0.00 0.00 0.00 0.00 23.12 23.45 1l5i s ALA 11 CO -0.08 -0.85 1.03 -0.22 0.00 0.00 0.00 175.76 175.64 1l5i h LYS 12 N 2.00 0.15 -6.38 0.00 3.11 -1.85 0.07 116.57 113.68 1l5i h LYS 12 Ca -0.27 -0.26 -0.69 0.00 -2.81 0.00 0.00 60.65 56.62 1l5i h LYS 12 Cb 1.27 0.10 -0.23 0.00 -1.00 0.00 0.00 32.23 32.37 1l5i h LYS 12 CO 0.31 1.04 -0.77 -0.80 -2.81 0.00 0.00 179.45 176.42 1l5i s ASN 13 N -6.84 4.00 0.02 4.20 0.01 -1.25 -1.16 114.94 113.92 1l5i s ASN 13 Ca -0.04 -0.24 0.05 0.00 -0.71 0.00 0.00 52.86 51.92 1l5i s ASN 13 Cb 0.08 -0.81 -0.02 0.00 0.41 0.00 0.00 41.25 40.91 1l5i s ASN 13 CO 0.85 0.32 -0.16 -0.31 -1.51 0.00 0.00 177.10 176.29 1l5i s TYR 14 N -0.78 1.42 -0.17 2.20 2.02 -0.27 -0.58 117.35 121.19 1l5i s TYR 14 Ca 0.12 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 1l5i s TYR 14 Cb -0.11 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 1l5i s TYR 14 CO 0.02 0.02 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.75 1l5i s PHE 15 N -0.61 2.72 -0.18 2.71 0.08 0.61 -1.77 117.98 121.54 1l5i s PHE 15 Ca 0.05 -1.55 -0.07 0.00 0.12 0.00 0.00 56.93 55.48 1l5i s PHE 15 Cb -0.07 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1l5i s PHE 15 CO 0.00 -0.75 0.05 -0.51 -0.10 0.00 0.00 175.22 173.92 1l5i s LEU 16 N 1.16 3.73 -0.13 -0.37 2.01 -0.81 -1.94 118.68 122.33 1l5i s LEU 16 Ca 0.02 0.05 0.02 0.00 0.01 0.00 0.00 54.13 54.22 1l5i s LEU 16 Cb -0.14 -1.94 0.01 0.00 0.01 0.00 0.00 46.19 44.14 1l5i s LEU 16 CO -0.10 0.17 -0.19 -0.89 1.01 0.00 0.00 176.35 176.35 1l5i s THR 17 N 0.41 1.82 -0.39 5.49 2.01 -1.03 -1.79 115.64 122.17 1l5i s THR 17 Ca 0.02 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 1l5i s THR 17 Cb -0.13 -1.64 0.10 0.00 0.01 0.00 0.00 72.50 70.84 1l5i s THR 17 CO 0.01 0.50 0.17 -0.31 -0.69 0.00 0.00 174.62 174.30 1l5i s TYR 18 N 0.95 3.52 0.18 4.92 1.51 -0.76 -1.16 117.35 126.50 1l5i s TYR 18 Ca -0.05 -2.27 -0.30 0.00 -1.01 0.00 0.00 57.07 53.44 1l5i s TYR 18 Cb -0.15 -3.00 -0.08 0.00 -0.11 0.00 0.00 41.96 38.62 1l5i s TYR 18 CO -0.03 -0.93 1.12 -1.25 -1.11 0.00 0.00 175.55 173.35 1l5i s PRO 19 N 1.18 4.57 -1.44 -1.71 0.04 -1.26 -2.18 135.00 134.19 1l5i s PRO 19 Ca 0.06 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1l5i s PRO 19 Cb -0.22 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.06 1l5i s PRO 19 CO -0.03 0.04 0.21 1.17 0.04 0.00 0.00 177.00 178.42 1l5i n LYS 20 N 2.43 -0.70 -4.41 4.56 4.81 -0.79 -4.90 118.16 119.16 1l5i n LYS 20 Ca 0.03 0.08 -0.34 0.00 -0.87 0.00 0.00 58.31 57.21 1l5i n LYS 20 Cb 0.46 -3.22 -0.14 0.00 0.02 0.00 0.00 35.03 32.15 1l5i n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1l5i n ASP 22 N 4.04 2.10 -4.73 0.00 5.68 -1.26 -4.51 116.55 117.86 1l5i n ASP 22 Ca -0.18 -2.17 -0.41 0.00 -0.50 0.00 0.00 54.79 51.52 1l5i n ASP 22 Cb 0.52 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 1l5i n ASP 22 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1l5i s LEU 23 N -1.00 4.42 0.54 -2.12 2.96 -1.26 -5.02 118.68 117.20 1l5i s LEU 23 Ca 0.19 2.32 -0.05 0.00 -0.22 0.00 0.00 54.13 56.37 1l5i s LEU 23 Cb 0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 1l5i s LEU 23 CO 0.09 -0.48 0.84 0.42 -1.32 0.00 0.00 176.35 175.90 1l5i s THR 24 N 0.16 4.19 0.29 3.68 -4.23 -1.26 -4.94 115.64 113.53 1l5i s THR 24 Ca 0.56 0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.25 1l5i s THR 24 Cb -0.35 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 69.91 1l5i s THR 24 CO 0.37 -0.62 1.71 0.07 -0.54 0.00 0.00 174.62 175.61 1l5i h LYS 25 N 0.02 0.00 -0.12 3.99 2.10 -1.96 -1.22 116.57 119.39 1l5i h LYS 25 Ca -0.46 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.17 1l5i h LYS 25 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1l5i h LYS 25 CO 0.61 0.50 0.00 1.49 -2.00 0.00 0.00 179.45 180.05 1l5i h GLU 26 N 0.00 0.21 -0.38 0.07 4.81 -1.97 1.45 114.58 118.77 1l5i h GLU 26 Ca -0.00 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1l5i h GLU 26 Cb 0.91 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1l5i h GLU 26 CO 0.06 0.44 0.03 -0.91 -0.73 0.00 0.00 179.01 177.91 1l5i h ASN 27 N -0.05 0.64 0.16 1.04 -0.26 -1.93 0.30 115.58 115.48 1l5i h ASN 27 Ca 0.03 -0.29 -0.11 0.00 -0.56 0.00 0.00 56.30 55.38 1l5i h ASN 27 Cb 0.35 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1l5i h ASN 27 CO 0.01 0.77 -0.40 0.00 -1.06 0.00 0.00 177.43 176.74 1l5i h ALA 28 N 0.90 1.05 -0.34 -0.83 0.00 -1.14 0.14 119.26 119.04 1l5i h ALA 28 Ca 0.11 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1l5i h ALA 28 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1l5i h ALA 28 CO 0.01 0.60 -0.23 1.25 0.00 0.00 0.00 179.25 180.88 1l5i h LEU 29 N 0.27 0.79 -0.21 0.00 7.12 0.24 0.64 115.31 124.16 1l5i h LEU 29 Ca 0.02 -0.44 -0.06 0.00 0.13 0.00 0.00 57.88 57.54 1l5i h LEU 29 Cb 0.83 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.73 1l5i h LEU 29 CO 0.07 1.06 -0.11 -1.28 -0.13 0.00 0.00 178.44 178.05 1l5i h SER 30 N 0.53 0.46 -0.15 1.25 0.87 -0.17 0.56 113.55 116.91 1l5i h SER 30 Ca 0.07 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1l5i h SER 30 Cb 0.79 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1l5i h SER 30 CO 0.06 0.77 -0.01 1.56 -0.53 0.00 0.00 176.83 178.69 1l5i h GLN 31 N 0.14 0.26 -0.36 2.24 4.20 -0.68 0.42 115.11 121.33 1l5i h GLN 31 Ca 0.05 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1l5i h GLN 31 Cb 0.60 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1l5i h GLN 31 CO 0.03 0.50 0.12 0.82 -0.67 0.00 0.00 178.83 179.63 1l5i h ILE 32 N -0.00 1.21 -0.60 2.54 1.08 0.28 0.59 117.51 122.61 1l5i h ILE 32 Ca 0.04 -0.67 -0.05 0.00 -0.39 0.00 0.00 64.86 63.79 1l5i h ILE 32 Cb 0.39 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1l5i h ILE 32 CO 0.01 0.23 0.17 0.74 -0.69 0.00 0.00 178.15 178.61 1l5i h THR 33 N 0.43 1.23 -0.00 -0.27 2.02 0.22 -0.67 112.91 115.88 1l5i h THR 33 Ca 0.12 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1l5i h THR 33 Cb 0.24 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1l5i h THR 33 CO -0.00 0.31 -0.10 0.59 0.37 0.00 0.00 175.52 176.69 1l5i n ASN 34 N -4.27 0.23 -4.66 4.18 5.03 0.15 -4.78 115.26 111.14 1l5i n ASN 34 Ca 0.05 -0.13 -0.43 0.00 0.87 0.00 0.00 54.58 54.93 1l5i n ASN 34 Cb 0.22 -0.20 -0.02 0.00 -1.02 0.00 0.00 39.78 38.76 1l5i n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1l5i s LEU 35 N -2.71 4.17 0.60 3.41 1.02 0.20 -5.01 118.68 120.36 1l5i s LEU 35 Ca 0.22 1.70 -0.09 0.00 0.02 0.00 0.00 54.13 55.98 1l5i s LEU 35 Cb 0.19 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.84 1l5i s LEU 35 CO 0.52 -0.81 0.97 -1.10 0.02 0.00 0.00 176.35 175.95 1l5i s GLN 36 N 3.62 3.40 0.06 1.70 -0.21 -1.26 -4.96 119.66 122.01 1l5i s GLN 36 Ca 0.57 0.51 -0.12 0.00 0.02 0.00 0.00 55.36 56.34 1l5i s GLN 36 Cb -0.22 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.64 1l5i s GLN 36 CO 0.17 -0.58 0.26 -0.08 -2.12 0.00 0.00 175.29 172.94 1l5i s THR 37 N -3.09 0.10 -1.80 -0.19 -1.32 -1.26 -5.02 115.64 103.06 1l5i s THR 37 Ca 0.54 -0.83 0.24 0.00 -1.21 0.00 0.00 61.69 60.42 1l5i s THR 37 Cb -0.11 -1.04 0.58 0.00 -1.51 0.00 0.00 72.50 70.42 1l5i s THR 37 CO 0.51 -0.46 1.78 -0.81 -2.21 0.00 0.00 174.62 173.42 1l5i n PRO 38 N 0.39 0.60 0.00 7.08 -0.04 -1.26 -4.58 135.00 137.20 1l5i n PRO 38 Ca -0.18 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1l5i n PRO 38 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1l5i n PRO 38 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1l5i n THR 39 N -1.10 0.00 -3.64 0.52 5.66 -1.26 -5.10 114.28 109.35 1l5i n THR 39 Ca 0.15 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.09 1l5i n THR 39 Cb 0.12 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.83 1l5i n THR 39 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1l5i s ASN 40 N 0.63 -0.26 -0.28 1.09 2.47 -1.26 -4.99 114.94 112.35 1l5i s ASN 40 Ca 0.00 0.48 -0.20 0.00 0.42 0.00 0.00 52.86 53.56 1l5i s ASN 40 Cb 0.00 0.49 -0.01 0.00 -1.45 0.00 0.00 41.25 40.27 1l5i s ASN 40 CO 0.00 -0.09 0.63 -0.54 -3.72 0.00 0.00 177.10 173.38 1l5i s LYS 41 N 0.08 4.02 -0.18 0.43 1.02 -1.26 -1.41 119.74 122.44 1l5i s LYS 41 Ca 0.05 0.45 -0.16 0.00 0.02 0.00 0.00 55.97 56.34 1l5i s LYS 41 Cb -0.05 -3.68 -0.11 0.00 -0.52 0.00 0.00 37.83 33.47 1l5i s LYS 41 CO -0.10 -0.48 -0.01 -0.11 -0.92 0.00 0.00 175.35 173.72 1l5i n LEU 42 N 5.79 1.84 -4.10 3.17 7.94 -0.52 -4.90 117.00 126.22 1l5i n LEU 42 Ca -0.01 0.51 -0.10 0.00 -1.11 0.00 0.00 56.01 55.30 1l5i n LEU 42 Cb 0.49 -0.91 -0.10 0.00 0.53 0.00 0.00 43.42 43.43 1l5i n LEU 42 CO 0.44 -0.06 -0.38 0.12 -1.11 0.00 0.00 177.39 176.40 1l5i s PHE 43 N -2.34 0.66 -0.08 1.96 5.36 -1.10 -1.93 117.98 120.52 1l5i s PHE 43 Ca -0.23 -0.81 -0.03 0.00 -0.96 0.00 0.00 56.93 54.90 1l5i s PHE 43 Cb 0.05 -0.41 0.04 0.00 -0.34 0.00 0.00 43.02 42.35 1l5i s PHE 43 CO 0.41 -0.20 0.07 0.42 -1.46 0.00 0.00 175.22 174.46 1l5i s ILE 44 N -2.91 -0.10 -0.15 3.12 1.01 0.11 -2.38 121.20 119.89 1l5i s ILE 44 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1l5i s ILE 44 Cb 0.01 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.20 1l5i s ILE 44 CO -0.04 0.05 -0.15 -0.75 0.00 0.00 0.00 174.94 174.04 1l5i s LYS 45 N 2.16 3.25 -0.16 2.79 2.47 0.36 -1.89 119.74 128.72 1l5i s LYS 45 Ca 0.04 -0.74 -0.00 0.00 -1.56 0.00 0.00 55.97 53.71 1l5i s LYS 45 Cb -0.13 -2.61 0.04 0.00 -1.46 0.00 0.00 37.83 33.67 1l5i s LYS 45 CO -0.05 0.07 -0.06 0.42 0.16 0.00 0.00 175.35 175.90 1l5i s ILE 46 N 0.68 1.14 -0.02 5.43 1.01 -1.00 0.01 121.20 128.45 1l5i s ILE 46 Ca -0.07 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1l5i s ILE 46 Cb -0.16 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1l5i s ILE 46 CO 0.02 0.17 -0.14 0.00 0.00 0.00 0.00 174.94 175.00 1l5i s ARG 48 N -0.17 3.54 -0.03 0.00 3.52 -1.26 -0.59 118.95 123.95 1l5i s ARG 48 Ca 0.02 -0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.50 1l5i s ARG 48 Cb -0.07 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.22 1l5i s ARG 48 CO 0.00 0.69 0.07 -2.00 -0.81 0.00 0.00 175.30 173.25 1l5i s GLU 49 N -1.54 0.04 -0.13 5.12 2.56 -0.75 -4.92 118.70 119.08 1l5i s GLU 49 Ca 0.24 0.18 -0.11 0.00 0.00 0.00 0.00 54.97 55.28 1l5i s GLU 49 Cb -0.13 -0.10 -0.05 0.00 2.00 0.00 0.00 34.13 35.85 1l5i s GLU 49 CO 0.13 -0.09 0.22 -0.51 -0.56 0.00 0.00 175.26 174.45 1l5i s LEU 50 N 0.61 4.33 0.45 2.70 2.01 -1.26 -0.39 118.68 127.13 1l5i s LEU 50 Ca -0.05 0.51 -0.12 0.00 0.01 0.00 0.00 54.13 54.48 1l5i s LEU 50 Cb -0.07 -2.24 -0.06 0.00 0.01 0.00 0.00 46.19 43.83 1l5i s LEU 50 CO -0.02 0.27 0.84 -1.00 1.01 0.00 0.00 176.35 177.45 1l5i s HIS 51 N -0.35 3.49 -1.32 0.29 3.76 -0.17 -4.89 115.29 116.09 1l5i s HIS 51 Ca 0.15 1.15 0.21 0.00 -0.15 0.00 0.00 55.06 56.42 1l5i s HIS 51 Cb -0.13 -2.54 1.02 0.00 1.11 0.00 0.00 32.58 32.04 1l5i s HIS 51 CO 0.04 -0.23 1.67 -1.91 -0.85 0.00 0.00 174.74 173.46 1l5i n GLU 52 N -1.55 0.22 -0.00 1.40 2.13 -1.26 -1.91 120.64 119.66 1l5i n GLU 52 Ca 0.04 0.10 0.15 0.00 0.66 0.00 0.00 57.16 58.10 1l5i n GLU 52 Cb 0.54 -1.50 0.66 0.00 0.27 0.00 0.00 31.44 31.41 1l5i n GLU 52 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1l5i n ASN 53 N -1.34 1.00 0.00 4.31 3.02 -1.26 -4.87 115.26 116.12 1l5i n ASN 53 Ca 0.09 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1l5i n ASN 53 Cb 0.19 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1l5i n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l5i n GLY 54 N 1.12 0.75 3.76 7.41 0.00 -0.80 -5.03 105.19 112.39 1l5i n GLY 54 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1l5i n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l5i s GLU 55 N -0.24 4.11 -0.09 1.61 -1.05 -1.25 -4.92 118.70 116.87 1l5i s GLU 55 Ca 0.00 0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.63 1l5i s GLU 55 Cb 0.00 -3.37 -0.03 0.00 -0.44 0.00 0.00 34.13 30.29 1l5i s GLU 55 CO 0.00 0.37 1.23 -1.25 0.95 0.00 0.00 175.26 176.56 1l5i s PRO 56 N 0.07 4.31 0.19 -4.83 0.04 -1.26 -1.00 135.00 132.52 1l5i s PRO 56 Ca 0.17 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.98 1l5i s PRO 56 Cb -0.13 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1l5i s PRO 56 CO 0.05 -0.54 -0.02 -1.58 0.04 0.00 0.00 177.00 174.96 1l5i s HIS 57 N 2.65 2.78 -0.03 0.56 2.46 0.47 -0.48 115.29 123.71 1l5i s HIS 57 Ca 0.56 -0.17 0.02 0.00 0.47 0.00 0.00 55.06 55.94 1l5i s HIS 57 Cb -0.24 -1.33 0.01 0.00 -0.13 0.00 0.00 32.58 30.89 1l5i s HIS 57 CO 0.20 0.53 -0.08 -1.17 -2.47 0.00 0.00 174.74 171.75 1l5i s LEU 58 N -3.06 1.72 0.02 8.88 1.98 -0.92 -1.81 118.68 125.49 1l5i s LEU 58 Ca 0.28 -0.18 0.08 0.00 -2.89 0.00 0.00 54.13 51.42 1l5i s LEU 58 Cb -0.09 -0.53 -0.03 0.00 0.66 0.00 0.00 46.19 46.21 1l5i s LEU 58 CO 0.18 0.04 -0.23 -1.00 -1.89 0.00 0.00 176.35 173.45 1l5i s HIS 59 N 0.31 2.41 -0.03 5.38 3.76 0.24 -1.83 115.29 125.53 1l5i s HIS 59 Ca -0.05 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.47 1l5i s HIS 59 Cb -0.09 -1.46 0.01 0.00 1.11 0.00 0.00 32.58 32.14 1l5i s HIS 59 CO 0.01 0.12 0.10 0.42 -0.85 0.00 0.00 174.74 174.53 1l5i s ILE 60 N -0.77 0.00 -0.17 0.60 1.01 -0.74 -1.39 121.20 119.74 1l5i s ILE 60 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 1l5i s ILE 60 Cb -0.10 -0.16 0.06 0.00 0.01 0.00 0.00 42.46 42.27 1l5i s ILE 60 CO 0.02 -0.02 0.07 -0.22 0.00 0.00 0.00 174.94 174.79 1l5i s LEU 61 N -0.02 0.59 0.12 2.97 1.98 0.10 -1.92 118.68 122.50 1l5i s LEU 61 Ca -0.01 -0.63 0.09 0.00 -2.89 0.00 0.00 54.13 50.69 1l5i s LEU 61 Cb -0.01 -0.35 -0.04 0.00 0.66 0.00 0.00 46.19 46.45 1l5i s LEU 61 CO 0.00 -0.33 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.30 1l5i s ILE 62 N 2.05 2.72 -0.11 6.68 1.01 -0.73 -0.49 121.20 132.33 1l5i s ILE 62 Ca 0.01 -1.55 -0.02 0.00 0.00 0.00 0.00 60.65 59.09 1l5i s ILE 62 Cb -0.16 -2.24 0.04 0.00 0.01 0.00 0.00 42.46 40.11 1l5i s ILE 62 CO -0.08 0.10 0.02 0.00 0.00 0.00 0.00 174.94 174.98 1l5i s GLN 63 N -2.12 0.52 0.32 2.79 1.03 -1.00 -1.12 119.66 120.09 1l5i s GLN 63 Ca 0.17 -0.05 -0.04 0.00 0.04 0.00 0.00 55.36 55.48 1l5i s GLN 63 Cb -0.10 -1.36 -0.05 0.00 0.03 0.00 0.00 33.01 31.53 1l5i s GLN 63 CO 0.09 -0.44 0.58 -0.06 -2.54 0.00 0.00 175.29 172.93 1l5i s PHE 64 N 1.97 3.49 0.40 9.60 0.40 -0.30 -1.44 117.98 132.09 1l5i s PHE 64 Ca 0.03 0.62 0.08 0.00 -0.60 0.00 0.00 56.93 57.06 1l5i s PHE 64 Cb -0.14 -2.10 0.83 0.00 0.51 0.00 0.00 43.02 42.12 1l5i s PHE 64 CO -0.06 0.11 2.00 1.49 0.70 0.00 0.00 175.22 179.46 1l5i h GLU 65 N 1.37 0.44 -5.85 0.44 4.22 -1.55 -3.43 114.58 110.21 1l5i h GLU 65 Ca -0.48 -0.05 -0.51 0.00 0.08 0.00 0.00 59.36 58.40 1l5i h GLU 65 Cb 1.20 -0.09 -0.17 0.00 0.50 0.00 0.00 28.75 30.19 1l5i h GLU 65 CO 0.65 0.37 -0.77 0.20 -2.18 0.00 0.00 179.01 177.28 1l5i s GLY 66 N -3.82 1.41 -0.05 1.92 0.00 -1.26 -5.04 107.32 100.47 1l5i s GLY 66 Ca -0.07 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 42.81 1l5i s GLY 66 CO 0.73 -1.59 2.04 0.28 0.00 0.00 0.00 173.10 174.55 1l5i n LYS 67 N 0.13 2.51 -3.65 2.90 5.02 -1.26 -4.72 118.16 119.09 1l5i n LYS 67 Ca -0.12 0.87 -0.36 0.00 -2.02 0.00 0.00 58.31 56.68 1l5i n LYS 67 Cb 0.58 -3.01 -0.06 0.00 -0.02 0.00 0.00 35.03 32.52 1l5i n LYS 67 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1l5i s TYR 68 N 5.48 3.64 -0.34 2.13 5.04 0.01 -4.84 117.35 128.47 1l5i s TYR 68 Ca 0.93 0.77 -0.11 0.00 -2.44 0.00 0.00 57.07 56.22 1l5i s TYR 68 Cb -0.45 -2.13 -0.00 0.00 0.35 0.00 0.00 41.96 39.73 1l5i s TYR 68 CO 0.42 0.63 0.20 1.21 -1.34 0.00 0.00 175.55 176.66 1l5i s ASN 69 N -1.36 5.77 -0.81 4.32 3.04 -1.26 -2.28 114.94 122.35 1l5i s ASN 69 Ca 0.25 -0.60 0.02 0.00 0.04 0.00 0.00 52.86 52.57 1l5i s ASN 69 Cb -0.14 -2.06 0.27 0.00 -1.54 0.00 0.00 41.25 37.78 1l5i s ASN 69 CO 0.13 -0.26 1.01 0.00 -3.04 0.00 0.00 177.10 174.95 1l5i n THR 71 N 1.10 2.75 -3.27 0.00 5.66 -1.26 -2.88 114.28 116.38 1l5i n THR 71 Ca 0.28 -1.56 0.03 0.00 -3.05 0.00 0.00 64.05 59.75 1l5i n THR 71 Cb 0.38 -0.66 -0.02 0.00 -1.55 0.00 0.00 70.33 68.47 1l5i n THR 71 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1l5i s ASN 72 N -0.77 -0.74 -0.84 1.09 2.47 -1.26 -4.72 114.94 110.17 1l5i s ASN 72 Ca 0.44 0.67 -0.07 0.00 0.42 0.00 0.00 52.86 54.32 1l5i s ASN 72 Cb 0.37 1.70 -0.12 0.00 -1.45 0.00 0.00 41.25 41.75 1l5i s ASN 72 CO 0.07 -0.14 2.71 0.00 -3.72 0.00 0.00 177.10 176.02 1l5i n GLN 73 N 5.29 2.46 -0.00 0.43 0.00 -1.26 -3.52 117.38 120.78 1l5i n GLN 73 Ca -0.07 -1.47 -0.00 0.00 0.00 0.00 0.00 57.00 55.46 1l5i n GLN 73 Cb 0.52 -2.37 -0.00 0.00 0.00 0.00 0.00 30.24 28.39 1l5i n GLN 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1l5i n ARG 74 N 3.43 3.54 0.07 2.61 5.12 -1.26 -4.47 116.66 125.69 1l5i n ARG 74 Ca 0.53 -0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.35 1l5i n ARG 74 Cb 0.38 -1.01 0.03 0.00 -1.16 0.00 0.00 32.46 30.69 1l5i n ARG 74 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1l5i h PHE 75 N 0.00 0.46 -0.42 -1.55 3.57 -1.99 -2.95 116.94 114.06 1l5i h PHE 75 Ca -0.01 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1l5i h PHE 75 Cb 0.94 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1l5i h PHE 75 CO 0.00 0.97 0.00 1.19 -2.23 0.00 0.00 178.31 178.24 1l5i n PHE 76 N -3.79 0.76 -1.94 0.41 3.72 -1.26 -4.88 117.46 110.48 1l5i n PHE 76 Ca -0.04 -0.33 -0.42 0.00 -0.05 0.00 0.00 57.45 56.60 1l5i n PHE 76 Cb 0.73 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 1l5i n PHE 76 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1l5i s ASP 77 N -0.87 5.76 -0.09 4.37 1.01 -1.12 -4.46 116.67 121.28 1l5i s ASP 77 Ca 0.31 1.32 0.01 0.00 0.71 0.00 0.00 52.55 54.89 1l5i s ASP 77 Cb 0.18 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 1l5i s ASP 77 CO 0.18 -1.81 -0.09 -0.76 0.21 0.00 0.00 175.17 172.89 1l5i s LEU 78 N 7.35 2.99 0.29 1.23 1.43 -0.98 -5.00 118.68 125.99 1l5i s LEU 78 Ca 0.82 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.87 1l5i s LEU 78 Cb -0.23 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 1l5i s LEU 78 CO 0.33 0.30 -0.08 0.68 0.23 0.00 0.00 176.35 177.80 1l5i s VAL 79 N -0.42 1.87 -0.27 -1.59 -7.23 -1.26 0.44 120.40 111.95 1l5i s VAL 79 Ca 0.06 -2.17 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 1l5i s VAL 79 Cb -0.12 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.34 1l5i s VAL 79 CO 0.02 -0.30 0.81 -0.55 -0.31 0.00 0.00 175.10 174.77 1l5i s SER 80 N -3.49 6.76 0.00 4.85 0.15 -0.18 -4.90 113.70 116.89 1l5i s SER 80 Ca 0.30 0.88 0.23 0.00 0.70 0.00 0.00 55.95 58.06 1l5i s SER 80 Cb 0.02 -2.42 1.20 0.00 -1.71 0.00 0.00 66.02 63.12 1l5i s SER 80 CO 0.13 -0.55 1.75 -0.81 1.20 0.00 0.00 173.24 174.96 1l5i n PRO 81 N 6.08 0.41 -0.01 5.44 -0.04 -1.26 -2.54 135.00 143.08 1l5i n PRO 81 Ca 0.05 0.06 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1l5i n PRO 81 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1l5i n PRO 81 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1l5i n THR 82 N -1.23 0.04 -4.30 0.52 -2.24 -1.26 -5.00 114.28 100.82 1l5i n THR 82 Ca 0.12 -0.23 -0.18 0.00 -2.27 0.00 0.00 64.05 61.49 1l5i n THR 82 Cb 0.16 0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.47 1l5i n THR 82 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1l5i s ARG 83 N -2.65 0.72 -0.81 -0.78 6.06 -1.05 -5.03 118.95 115.41 1l5i s ARG 83 Ca -0.04 -0.48 -0.07 0.00 -2.50 0.00 0.00 55.73 52.65 1l5i s ARG 83 Cb 0.06 -0.67 -0.13 0.00 0.06 0.00 0.00 34.95 34.27 1l5i s ARG 83 CO 0.40 0.17 2.77 -1.13 -2.50 0.00 0.00 175.30 175.01 1l5i n SER 84 N 2.42 6.01 -4.12 -2.12 3.41 -1.26 -3.85 113.62 114.12 1l5i n SER 84 Ca -0.16 -2.40 -0.20 0.00 -0.26 0.00 0.00 58.87 55.85 1l5i n SER 84 Cb 0.56 -1.28 -0.14 0.00 -0.26 0.00 0.00 64.21 63.09 1l5i n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l5i s ALA 85 N 2.19 1.12 0.03 7.33 0.00 -1.26 -5.04 121.76 126.12 1l5i s ALA 85 Ca 0.56 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.81 1l5i s ALA 85 Cb 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1l5i s ALA 85 CO -0.03 0.23 0.01 -1.01 0.00 0.00 0.00 175.76 174.96 1l5i s HIS 86 N -0.67 3.07 -0.05 0.00 3.76 -1.26 -1.01 115.29 119.12 1l5i s HIS 86 Ca 0.02 0.06 0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1l5i s HIS 86 Cb -0.07 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 31.99 1l5i s HIS 86 CO 0.01 0.47 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.15 1l5i s PHE 87 N -1.17 1.70 -0.40 1.40 0.08 0.17 -4.96 117.98 114.79 1l5i s PHE 87 Ca 0.22 -0.55 -0.05 0.00 0.12 0.00 0.00 56.93 56.66 1l5i s PHE 87 Cb -0.12 -1.17 0.09 0.00 -0.57 0.00 0.00 43.02 41.26 1l5i s PHE 87 CO 0.13 -0.22 0.21 -1.58 -0.10 0.00 0.00 175.22 173.66 1l5i s HIS 88 N 0.25 3.44 0.74 0.36 5.65 -1.26 -2.31 115.29 122.16 1l5i s HIS 88 Ca -0.08 -1.99 -0.11 0.00 0.25 0.00 0.00 55.06 53.12 1l5i s HIS 88 Cb -0.13 -3.02 0.04 0.00 -1.18 0.00 0.00 32.58 28.29 1l5i s HIS 88 CO 0.03 -0.91 1.08 -1.25 -0.65 0.00 0.00 174.74 173.04 1l5i s PRO 89 N 1.27 2.53 -0.21 2.88 0.04 -1.26 -4.93 135.00 135.32 1l5i s PRO 89 Ca 0.04 0.81 -0.22 0.00 0.04 0.00 0.00 61.00 61.67 1l5i s PRO 89 Cb -0.23 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1l5i s PRO 89 CO -0.01 -1.35 0.71 1.21 0.04 0.00 0.00 177.00 177.60 1l5i s ASN 90 N -3.84 6.75 -0.16 6.66 3.84 -0.31 -4.83 114.94 123.04 1l5i s ASN 90 Ca 0.59 0.92 -0.19 0.00 0.21 0.00 0.00 52.86 54.39 1l5i s ASN 90 Cb -0.14 -2.39 -0.03 0.00 -0.55 0.00 0.00 41.25 38.14 1l5i s ASN 90 CO 0.55 -0.36 0.55 -0.63 -2.79 0.00 0.00 177.10 174.41 1l5i s ILE 91 N 2.24 5.10 -0.03 -5.21 1.01 -1.26 -2.46 121.20 120.59 1l5i s ILE 91 Ca 0.31 1.06 0.01 0.00 0.00 0.00 0.00 60.65 62.03 1l5i s ILE 91 Cb -0.16 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.45 1l5i s ILE 91 CO 0.10 0.21 -0.04 -1.58 0.00 0.00 0.00 174.94 173.63 1l5i s GLN 92 N 1.32 0.64 -0.36 2.79 0.74 -0.82 -4.97 119.66 119.01 1l5i s GLN 92 Ca 0.27 -0.11 -0.16 0.00 0.05 0.00 0.00 55.36 55.41 1l5i s GLN 92 Cb -0.16 -0.67 -0.00 0.00 1.10 0.00 0.00 33.01 33.28 1l5i s GLN 92 CO 0.11 -0.02 0.37 0.20 -0.55 0.00 0.00 175.29 175.40 1l5i s GLY 93 N 0.58 1.91 -0.39 2.59 0.00 -1.26 -0.29 107.32 110.47 1l5i s GLY 93 Ca -0.07 -1.29 -0.24 0.00 0.00 0.00 0.00 44.72 43.11 1l5i s GLY 93 CO -0.00 1.02 0.84 0.00 0.00 0.00 0.00 173.10 174.96 1l5i s ALA 94 N 2.02 3.39 0.00 3.20 0.00 0.26 -4.96 121.76 125.67 1l5i s ALA 94 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1l5i s ALA 94 Cb -0.17 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1l5i s ALA 94 CO 0.12 -1.63 0.00 1.63 0.00 0.00 0.00 175.76 175.88 1l5i n LYS 95 N 6.63 0.00 -3.83 0.00 4.01 -1.26 -3.85 118.16 119.86 1l5i n LYS 95 Ca 0.04 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.49 1l5i n LYS 95 Cb 0.48 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.95 1l5i n LYS 95 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1l5i s SER 96 N -1.67 6.44 0.00 4.39 0.01 -1.26 -4.82 113.70 116.79 1l5i s SER 96 Ca 0.00 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1l5i s SER 96 Cb 0.00 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1l5i s SER 96 CO 0.00 0.33 0.00 -1.54 0.41 0.00 0.00 173.24 172.44 1l5i n SER 97 N 1.50 0.00 -0.00 2.44 3.41 -1.26 -4.98 113.62 114.73 1l5i n SER 97 Ca -0.15 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.61 1l5i n SER 97 Cb 0.54 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.22 1l5i n SER 97 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1l5i n SER 98 N 0.00 0.01 -0.19 4.04 7.64 -1.26 -3.69 113.62 120.18 1l5i n SER 98 Ca 0.00 -0.05 0.29 0.00 1.01 0.00 0.00 58.87 60.12 1l5i n SER 98 Cb 0.00 -0.31 0.60 0.00 -1.01 0.00 0.00 64.21 63.49 1l5i n SER 98 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1l5i h ASP 99 N 0.01 0.00 -0.21 6.43 3.58 -1.99 1.77 116.42 126.02 1l5i h ASP 99 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1l5i h ASP 99 Cb 0.32 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 1l5i h ASP 99 CO 0.00 0.00 -0.12 -0.37 -2.88 0.00 0.00 179.24 175.87 1l5i h VAL 100 N 0.00 1.31 -0.65 2.25 -1.51 -2.00 -1.49 116.25 114.17 1l5i h VAL 100 Ca 0.46 -1.20 -0.06 0.00 -1.23 0.00 0.00 66.70 64.68 1l5i h VAL 100 Cb 2.42 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 33.21 1l5i h VAL 100 CO -0.00 0.36 0.19 0.50 -1.23 0.00 0.00 177.57 177.39 1l5i h LYS 101 N 0.14 1.02 -0.41 5.19 3.11 0.23 0.33 116.57 126.17 1l5i h LYS 101 Ca 0.04 -0.23 0.04 0.00 -2.81 0.00 0.00 60.65 57.69 1l5i h LYS 101 Cb 0.62 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 31.67 1l5i h LYS 101 CO 0.03 0.90 0.19 1.03 -2.81 0.00 0.00 179.45 178.79 1l5i h SER 102 N 0.94 0.27 -0.27 4.20 0.87 -1.07 -0.41 113.55 118.07 1l5i h SER 102 Ca 0.21 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.63 1l5i h SER 102 Cb 0.32 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1l5i h SER 102 CO -0.00 0.19 -0.43 0.22 -0.53 0.00 0.00 176.83 176.28 1l5i h TYR 103 N 0.39 1.01 -0.04 2.24 3.20 -0.95 -1.87 116.97 120.95 1l5i h TYR 103 Ca 0.18 -0.32 0.01 0.00 3.14 0.00 0.00 58.73 61.74 1l5i h TYR 103 Cb 0.10 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 1l5i h TYR 103 CO -0.11 1.12 0.03 0.82 -1.64 0.00 0.00 178.16 178.38 1l5i h ILE 104 N 0.67 0.71 0.23 1.81 2.04 0.21 -0.81 117.51 122.38 1l5i h ILE 104 Ca 0.04 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.56 1l5i h ILE 104 Cb 1.01 0.97 0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1l5i h ILE 104 CO 0.10 0.00 -1.55 -0.78 0.00 0.00 0.00 178.15 175.92 1l5i h ASP 105 N 0.00 0.78 -0.22 1.72 3.58 -0.74 -3.38 116.42 118.15 1l5i h ASP 105 Ca 0.02 -0.90 -0.62 0.00 0.42 0.00 0.00 57.03 55.95 1l5i h ASP 105 Cb 0.09 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1l5i h ASP 105 CO -0.00 1.72 2.33 2.29 -2.88 0.00 0.00 179.24 182.70 1l5i n LYS 106 N -3.68 2.21 -0.05 0.28 2.85 -0.31 -4.89 118.16 114.57 1l5i n LYS 106 Ca -0.19 -2.42 0.00 0.00 -1.05 0.00 0.00 58.31 54.65 1l5i n LYS 106 Cb 1.10 -3.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.21 1l5i n LYS 106 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1l5i n ASP 107 N 8.41 0.00 0.00 -5.58 5.75 -1.26 -4.92 116.55 118.95 1l5i n ASP 107 Ca 0.49 -0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1l5i n ASP 107 Cb 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1l5i n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1l5i n GLY 108 N 5.00 2.34 3.42 6.12 0.00 -1.26 -4.93 105.19 115.88 1l5i n GLY 108 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1l5i n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1l5i n ASP 109 N 0.00 -6.11 -4.54 1.61 9.92 -1.26 -4.97 116.55 111.20 1l5i n ASP 109 Ca 0.00 -0.48 -0.25 0.00 -0.53 0.00 0.00 54.79 53.52 1l5i n ASP 109 Cb 0.00 -4.75 -0.10 0.00 -0.64 0.00 0.00 41.12 35.63 1l5i n ASP 109 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1l5i s VAL 110 N -3.29 2.40 -0.21 2.53 0.11 -1.26 -4.63 120.40 116.05 1l5i s VAL 110 Ca 0.53 -2.22 -0.07 0.00 -2.93 0.00 0.00 61.98 57.29 1l5i s VAL 110 Cb -0.23 -2.58 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 1l5i s VAL 110 CO 0.65 -0.26 0.06 -0.22 -3.33 0.00 0.00 175.10 172.00 1l5i s LEU 111 N -3.60 3.57 -0.16 2.54 0.20 -0.30 -5.01 118.68 115.91 1l5i s LEU 111 Ca 0.32 -0.08 -0.03 0.00 0.69 0.00 0.00 54.13 55.03 1l5i s LEU 111 Cb -0.00 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.81 1l5i s LEU 111 CO 0.17 0.07 -0.05 -0.70 -0.29 0.00 0.00 176.35 175.55 1l5i s GLU 112 N 0.98 3.58 -0.02 1.98 -6.30 -1.26 -2.37 118.70 115.28 1l5i s GLU 112 Ca 0.03 -0.56 -0.01 0.00 -2.50 0.00 0.00 54.97 51.93 1l5i s GLU 112 Cb -0.14 -2.90 0.02 0.00 0.00 0.00 0.00 34.13 31.12 1l5i s GLU 112 CO 0.03 0.15 0.05 -0.46 0.02 0.00 0.00 175.26 175.05 1l5i s TRP 113 N 0.58 -0.02 0.02 5.30 -0.00 -0.79 -5.04 118.94 118.98 1l5i s TRP 113 Ca -0.03 0.17 0.00 0.00 -0.00 0.00 0.00 56.10 56.24 1l5i s TRP 113 Cb -0.15 -0.13 0.00 0.00 -0.00 0.00 0.00 33.47 33.19 1l5i s TRP 113 CO 0.03 -0.08 0.00 0.41 -0.00 0.00 0.00 176.95 177.31 1l5i n GLY 114 N 3.84 -2.13 3.15 5.86 0.00 -1.26 0.06 105.19 114.71 1l5i n GLY 114 Ca -0.23 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1l5i n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l5i s THR 115 N -0.61 1.68 0.35 2.61 2.01 -0.81 -4.77 115.64 116.10 1l5i s THR 115 Ca 0.00 -0.81 -0.25 0.00 0.31 0.00 0.00 61.69 60.94 1l5i s THR 115 Cb 0.00 -1.46 -0.10 0.00 0.01 0.00 0.00 72.50 70.95 1l5i s THR 115 CO 0.00 0.48 0.95 0.12 -0.69 0.00 0.00 174.62 175.47 1l5i s PHE 116 N 0.32 3.58 -0.02 4.92 5.36 -1.26 -3.79 117.98 127.09 1l5i s PHE 116 Ca -0.13 1.73 -0.00 0.00 -0.96 0.00 0.00 56.93 57.57 1l5i s PHE 116 Cb -0.16 -2.91 0.03 0.00 -0.34 0.00 0.00 43.02 39.64 1l5i s PHE 116 CO 0.06 0.11 0.04 -0.65 -1.46 0.00 0.00 175.22 173.32 1l5i s GLN 117 N -2.37 -0.02 -0.31 10.12 -0.21 -1.26 -5.05 119.66 120.57 1l5i s GLN 117 Ca 0.54 0.19 -0.15 0.00 0.02 0.00 0.00 55.36 55.96 1l5i s GLN 117 Cb -0.16 -0.22 -0.02 0.00 1.00 0.00 0.00 33.01 33.61 1l5i s GLN 117 CO 0.21 -0.15 0.36 0.42 -2.12 0.00 0.00 175.29 174.00 1l5i s ILE 118 N 0.99 5.18 -0.06 1.08 1.01 -1.26 -5.04 121.20 123.10 1l5i s ILE 118 Ca -0.08 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 1l5i s ILE 118 Cb -0.12 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1l5i s ILE 118 CO -0.03 0.03 1.39 1.51 0.00 0.00 0.00 174.94 177.84 1l5i s ASP 119 N 1.70 6.87 1.15 3.58 1.47 -1.26 -4.69 116.67 125.48 1l5i s ASP 119 Ca 0.13 1.99 0.00 0.00 1.18 0.00 0.00 52.55 55.85 1l5i s ASP 119 Cb -0.16 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.87 1l5i s ASP 119 CO 0.11 -0.75 0.00 0.61 0.68 0.00 0.00 175.17 175.82 1l5i n GLY 120 N 3.69 0.91 0.32 2.12 0.00 -1.26 -5.21 105.19 105.77 1l5i n GLY 120 Ca 0.14 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.71 1l5i n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86