#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l5i n GLY 5 N 0.00 0.78 2.99 0.46 0.00 -1.26 -5.13 105.19 103.03 1l5i n GLY 5 Ca 0.00 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 1l5i n GLY 5 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1l5i s ARG 6 N -2.08 1.25 -0.66 1.61 3.52 -1.26 -5.09 118.95 116.24 1l5i s ARG 6 Ca 0.00 -0.31 -0.27 0.00 -0.13 0.00 0.00 55.73 55.02 1l5i s ARG 6 Cb 0.00 -1.11 0.02 0.00 -1.56 0.00 0.00 34.95 32.30 1l5i s ARG 6 CO 0.00 0.03 1.39 0.12 -0.81 0.00 0.00 175.30 176.04 1l5i s PHE 7 N 0.56 2.22 -0.13 5.12 5.36 -1.26 -4.96 117.98 124.89 1l5i s PHE 7 Ca -0.10 0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 56.10 1l5i s PHE 7 Cb -0.13 -4.48 0.04 0.00 -0.34 0.00 0.00 43.02 38.11 1l5i s PHE 7 CO 0.02 -2.04 -0.00 -1.54 -1.46 0.00 0.00 175.22 170.19 1l5i s SER 8 N 4.49 2.25 -0.12 6.13 1.04 -1.26 -4.23 113.70 122.00 1l5i s SER 8 Ca 0.45 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 1l5i s SER 8 Cb -0.09 -0.60 -0.03 0.00 0.10 0.00 0.00 66.02 65.39 1l5i s SER 8 CO 0.19 -0.22 -0.04 -0.63 0.98 0.00 0.00 173.24 173.52 1l5i s ILE 9 N 1.86 3.90 -0.18 -1.02 1.01 -1.14 -4.91 121.20 120.72 1l5i s ILE 9 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1l5i s ILE 9 Cb -0.14 -2.67 0.06 0.00 0.01 0.00 0.00 42.46 39.71 1l5i s ILE 9 CO -0.07 0.54 0.03 -0.54 0.00 0.00 0.00 174.94 174.90 1l5i s LYS 10 N -0.10 0.62 0.15 2.79 1.02 -1.26 0.72 119.74 123.68 1l5i s LYS 10 Ca 0.02 -0.34 -0.24 0.00 0.02 0.00 0.00 55.97 55.43 1l5i s LYS 10 Cb -0.13 -1.97 0.06 0.00 -0.52 0.00 0.00 37.83 35.28 1l5i s LYS 10 CO 0.03 -0.60 0.74 0.00 -0.92 0.00 0.00 175.35 174.59 1l5i s ALA 11 N 1.89 -1.57 -0.14 5.17 0.00 -0.85 -4.95 121.76 121.32 1l5i s ALA 11 Ca -0.00 0.37 0.16 0.00 0.00 0.00 0.00 51.96 52.49 1l5i s ALA 11 Cb -0.16 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 1l5i s ALA 11 CO -0.08 -0.85 1.10 1.57 0.00 0.00 0.00 175.76 177.50 1l5i h LYS 12 N 2.00 0.00 -6.51 0.00 2.10 -1.81 0.28 116.57 112.63 1l5i h LYS 12 Ca -0.27 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.70 1l5i h LYS 12 Cb 1.27 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.30 1l5i h LYS 12 CO 0.31 0.38 -0.89 -0.80 -2.00 0.00 0.00 179.45 176.46 1l5i s ASN 13 N -6.07 2.97 0.02 7.07 0.01 -1.25 -0.68 114.94 117.02 1l5i s ASN 13 Ca 0.00 -0.46 0.03 0.00 -0.71 0.00 0.00 52.86 51.72 1l5i s ASN 13 Cb 0.08 -0.36 -0.01 0.00 0.41 0.00 0.00 41.25 41.37 1l5i s ASN 13 CO 0.78 0.31 -0.10 -0.31 -1.51 0.00 0.00 177.10 176.27 1l5i s TYR 14 N -0.57 0.87 -0.16 2.20 2.02 -0.37 0.06 117.35 121.40 1l5i s TYR 14 Ca 0.09 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1l5i s TYR 14 Cb -0.10 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.94 1l5i s TYR 14 CO -0.01 -0.01 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.69 1l5i s PHE 15 N -0.60 2.74 -0.17 2.71 0.40 0.93 -1.89 117.98 122.10 1l5i s PHE 15 Ca 0.00 -1.52 -0.07 0.00 -0.60 0.00 0.00 56.93 54.75 1l5i s PHE 15 Cb -0.06 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1l5i s PHE 15 CO 0.00 -0.73 0.05 -0.51 0.70 0.00 0.00 175.22 174.73 1l5i s LEU 16 N 1.10 3.73 -0.10 -0.37 2.01 -0.59 -1.83 118.68 122.63 1l5i s LEU 16 Ca 0.00 0.06 0.03 0.00 0.01 0.00 0.00 54.13 54.23 1l5i s LEU 16 Cb -0.14 -1.93 -0.00 0.00 0.01 0.00 0.00 46.19 44.12 1l5i s LEU 16 CO -0.08 0.18 -0.22 0.42 1.01 0.00 0.00 176.35 177.66 1l5i s THR 17 N 0.30 2.23 -0.34 5.49 -4.23 -1.02 -2.08 115.64 115.99 1l5i s THR 17 Ca 0.02 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1l5i s THR 17 Cb -0.13 -1.86 0.09 0.00 1.34 0.00 0.00 72.50 71.94 1l5i s THR 17 CO 0.01 0.56 0.06 -0.31 -0.54 0.00 0.00 174.62 174.39 1l5i s TYR 18 N 0.30 3.57 0.14 3.99 1.51 -1.00 -0.96 117.35 124.90 1l5i s TYR 18 Ca -0.17 -2.56 -0.30 0.00 -1.01 0.00 0.00 57.07 53.03 1l5i s TYR 18 Cb -0.17 -2.74 -0.07 0.00 -0.11 0.00 0.00 41.96 38.87 1l5i s TYR 18 CO 0.08 -0.92 1.14 -1.25 -1.11 0.00 0.00 175.55 173.48 1l5i s PRO 19 N 1.05 4.53 -1.41 -1.71 0.04 -1.26 -2.39 135.00 133.85 1l5i s PRO 19 Ca 0.05 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 1l5i s PRO 19 Cb -0.20 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.05 1l5i s PRO 19 CO -0.05 -0.05 0.20 1.17 0.04 0.00 0.00 177.00 178.30 1l5i n LYS 20 N 2.91 -0.72 -4.06 4.56 4.81 -0.37 -4.90 118.16 120.40 1l5i n LYS 20 Ca 0.05 0.07 -0.35 0.00 -0.87 0.00 0.00 58.31 57.21 1l5i n LYS 20 Cb 0.46 -3.15 -0.14 0.00 0.02 0.00 0.00 35.03 32.23 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 4.55 2.06 -4.75 0.00 9.92 -1.26 -4.36 116.55 122.71 1l5i n ASP 22 Ca -0.18 -2.17 -0.41 0.00 -0.53 0.00 0.00 54.79 51.50 1l5i n ASP 22 Cb 0.51 -0.38 -0.03 0.00 -0.64 0.00 0.00 41.12 40.59 1l5i n ASP 22 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1l5i s LEU 23 N -0.99 4.43 0.53 0.64 2.96 -1.26 -5.01 118.68 119.98 1l5i s LEU 23 Ca 0.18 2.45 -0.05 0.00 -0.22 0.00 0.00 54.13 56.49 1l5i s LEU 23 Cb 0.12 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 1l5i s LEU 23 CO 0.09 -0.50 0.84 0.42 -1.32 0.00 0.00 176.35 175.87 1l5i s THR 24 N -0.22 4.34 0.28 3.68 -4.23 -1.26 -4.93 115.64 113.30 1l5i s THR 24 Ca 0.54 0.12 0.14 0.00 -1.18 0.00 0.00 61.69 61.31 1l5i s THR 24 Cb -0.37 -3.68 0.07 0.00 1.34 0.00 0.00 72.50 69.86 1l5i s THR 24 CO 0.41 -0.68 1.73 0.07 -0.54 0.00 0.00 174.62 175.61 1l5i h LYS 25 N 0.04 0.00 -0.14 3.99 2.10 -1.95 -0.95 116.57 119.67 1l5i h LYS 25 Ca -0.46 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1l5i h LYS 25 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1l5i h LYS 25 CO 0.61 0.46 0.03 1.49 -2.00 0.00 0.00 179.45 180.04 1l5i h GLU 26 N 0.00 0.22 -0.26 0.07 4.81 -1.97 1.30 114.58 118.75 1l5i h GLU 26 Ca -0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1l5i h GLU 26 Cb 0.88 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1l5i h GLU 26 CO 0.06 0.39 -0.11 -0.91 -0.73 0.00 0.00 179.01 177.70 1l5i h ASN 27 N 0.02 0.55 -0.44 1.04 -0.26 -1.93 0.23 115.58 114.80 1l5i h ASN 27 Ca 0.04 -0.40 -0.07 0.00 -0.56 0.00 0.00 56.30 55.31 1l5i h ASN 27 Cb 0.27 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 1l5i h ASN 27 CO 0.00 0.83 0.03 0.00 -1.06 0.00 0.00 177.43 177.23 1l5i h ALA 28 N 0.74 1.11 -0.35 -0.83 0.00 -1.09 0.20 119.26 119.05 1l5i h ALA 28 Ca 0.06 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1l5i h ALA 28 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1l5i h ALA 28 CO 0.04 0.57 -0.35 1.25 0.00 0.00 0.00 179.25 180.76 1l5i h LEU 29 N 0.77 0.84 -0.23 0.00 7.12 0.19 0.75 115.31 124.76 1l5i h LEU 29 Ca 0.15 -0.36 -0.05 0.00 0.13 0.00 0.00 57.88 57.75 1l5i h LEU 29 Cb 0.42 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1l5i h LEU 29 CO 0.02 1.10 -0.05 0.77 -0.13 0.00 0.00 178.44 180.14 1l5i h SER 30 N 0.66 0.44 -0.14 1.25 4.64 0.00 0.46 113.55 120.87 1l5i h SER 30 Ca 0.06 -0.37 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 1l5i h SER 30 Cb 0.90 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1l5i h SER 30 CO 0.08 0.70 -0.18 1.56 -0.87 0.00 0.00 176.83 178.12 1l5i h GLN 31 N 0.17 0.37 -0.48 4.77 4.20 -0.53 0.11 115.11 123.73 1l5i h GLN 31 Ca 0.06 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1l5i h GLN 31 Cb 0.51 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1l5i h GLN 31 CO 0.02 0.79 0.26 0.82 -0.67 0.00 0.00 178.83 180.05 1l5i h ILE 32 N -0.01 1.17 -0.61 2.54 1.08 0.53 0.90 117.51 123.11 1l5i h ILE 32 Ca 0.02 -0.43 -0.08 0.00 -0.39 0.00 0.00 64.86 63.97 1l5i h ILE 32 Cb 0.74 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1l5i h ILE 32 CO 0.04 0.18 0.06 0.74 -0.69 0.00 0.00 178.15 178.49 1l5i h THR 33 N 0.64 1.26 -0.00 -0.27 2.02 -0.05 -1.44 112.91 115.06 1l5i h THR 33 Ca 0.17 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1l5i h THR 33 Cb 0.05 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1l5i h THR 33 CO -0.03 0.39 -0.04 0.59 0.37 0.00 0.00 175.52 176.80 1l5i n ASN 34 N -4.21 0.08 -4.65 4.18 5.03 0.38 -4.76 115.26 111.32 1l5i n ASN 34 Ca 0.04 0.13 -0.43 0.00 0.87 0.00 0.00 54.58 55.19 1l5i n ASN 34 Cb 0.30 -0.33 -0.02 0.00 -1.02 0.00 0.00 39.78 38.71 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 -2.80 4.08 0.70 3.41 1.02 0.31 -5.00 118.68 120.40 1l5i s LEU 35 Ca 0.20 1.61 -0.11 0.00 0.02 0.00 0.00 54.13 55.85 1l5i s LEU 35 Cb 0.19 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.88 1l5i s LEU 35 CO 0.51 -0.92 1.07 0.00 0.02 0.00 0.00 176.35 177.03 1l5i s GLN 36 N 3.88 2.89 0.10 1.70 -2.07 -1.26 -4.96 119.66 119.93 1l5i s GLN 36 Ca 0.59 0.67 -0.09 0.00 -1.82 0.00 0.00 55.36 54.71 1l5i s GLN 36 Cb -0.22 -2.01 -0.00 0.00 -1.09 0.00 0.00 33.01 29.69 1l5i s GLN 36 CO 0.20 -1.06 0.21 -0.08 -1.32 0.00 0.00 175.29 173.24 1l5i s THR 37 N -3.21 0.13 0.02 3.63 -1.32 -1.26 -5.04 115.64 108.60 1l5i s THR 37 Ca 0.58 -1.16 0.19 0.00 -1.21 0.00 0.00 61.69 60.09 1l5i s THR 37 Cb -0.12 -1.36 0.15 0.00 -1.51 0.00 0.00 72.50 69.65 1l5i s THR 37 CO 0.53 -0.61 1.66 1.55 -2.21 0.00 0.00 174.62 175.54 1l5i h PRO 38 N 2.72 0.00 0.00 7.08 0.13 -1.98 -3.42 132.00 136.52 1l5i h PRO 38 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1l5i h PRO 38 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1l5i h PRO 38 CO 0.55 0.36 0.00 -2.37 -0.23 0.00 0.00 178.00 176.31 1l5i n THR 39 N -3.36 0.00 -3.63 1.56 5.66 -1.26 -5.12 114.28 108.14 1l5i n THR 39 Ca 0.01 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1l5i n THR 39 Cb 0.56 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.28 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 -1.00 -0.31 -0.16 1.09 2.47 -1.26 -5.00 114.94 110.78 1l5i s ASN 40 Ca 0.00 0.53 -0.19 0.00 0.42 0.00 0.00 52.86 53.62 1l5i s ASN 40 Cb 0.00 0.51 -0.04 0.00 -1.45 0.00 0.00 41.25 40.27 1l5i s ASN 40 CO 0.00 -0.15 0.53 -0.54 -3.72 0.00 0.00 177.10 173.21 1l5i s LYS 41 N -0.21 4.27 0.00 0.43 1.02 -1.26 -2.05 119.74 121.93 1l5i s LYS 41 Ca 0.04 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.51 1l5i s LYS 41 Cb -0.04 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1l5i s LYS 41 CO -0.07 -0.01 0.00 -0.11 -0.92 0.00 0.00 175.35 174.24 1l5i n LEU 42 N 4.27 0.00 -4.88 3.17 7.94 -0.89 -4.88 117.00 121.74 1l5i n LEU 42 Ca -0.05 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.62 1l5i n LEU 42 Cb 0.51 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.42 1l5i n LEU 42 CO 0.43 0.00 -0.13 0.12 -1.11 0.00 0.00 177.39 176.70 1l5i s PHE 43 N 0.00 3.26 -0.04 1.96 5.36 -1.13 -3.63 117.98 123.75 1l5i s PHE 43 Ca 0.00 -0.04 -0.02 0.00 -0.96 0.00 0.00 56.93 55.91 1l5i s PHE 43 Cb 0.00 -1.50 0.03 0.00 -0.34 0.00 0.00 43.02 41.22 1l5i s PHE 43 CO 0.00 0.50 0.09 0.42 -1.46 0.00 0.00 175.22 174.77 1l5i s ILE 44 N -1.99 -0.05 -0.21 3.12 1.01 0.15 -2.53 121.20 120.70 1l5i s ILE 44 Ca 0.33 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1l5i s ILE 44 Cb -0.09 -0.16 0.05 0.00 0.01 0.00 0.00 42.46 42.27 1l5i s ILE 44 CO 0.26 0.08 -0.05 -0.75 0.00 0.00 0.00 174.94 174.48 1l5i s LYS 45 N 1.11 1.56 -0.21 2.79 2.47 0.43 -1.92 119.74 125.97 1l5i s LYS 45 Ca -0.09 -0.82 0.02 0.00 -1.56 0.00 0.00 55.97 53.52 1l5i s LYS 45 Cb -0.12 -2.40 0.04 0.00 -1.46 0.00 0.00 37.83 33.89 1l5i s LYS 45 CO -0.05 -0.54 -0.14 0.42 0.16 0.00 0.00 175.35 175.20 1l5i s ILE 46 N 1.48 2.00 -0.01 5.43 1.01 -1.01 0.21 121.20 130.31 1l5i s ILE 46 Ca -0.03 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.42 1l5i s ILE 46 Cb -0.18 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 1l5i s ILE 46 CO -0.07 0.24 -0.07 0.00 0.00 0.00 0.00 174.94 175.04 1l5i s ARG 48 N -0.02 3.62 -0.02 0.00 3.52 -1.26 0.46 118.95 125.25 1l5i s ARG 48 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 55.73 55.61 1l5i s ARG 48 Cb -0.05 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.26 1l5i s ARG 48 CO -0.00 0.66 0.03 -2.00 -0.81 0.00 0.00 175.30 173.18 1l5i s GLU 49 N -1.58 -0.02 -0.12 5.12 2.56 0.04 -4.89 118.70 119.81 1l5i s GLU 49 Ca 0.26 0.13 -0.12 0.00 0.00 0.00 0.00 54.97 55.24 1l5i s GLU 49 Cb -0.14 -0.15 -0.05 0.00 2.00 0.00 0.00 34.13 35.80 1l5i s GLU 49 CO 0.14 -0.10 0.25 -0.51 -0.56 0.00 0.00 175.26 174.48 1l5i s LEU 50 N 0.66 4.33 0.39 2.70 2.01 -1.26 -0.75 118.68 126.76 1l5i s LEU 50 Ca -0.05 0.55 -0.07 0.00 0.01 0.00 0.00 54.13 54.57 1l5i s LEU 50 Cb -0.08 -2.29 -0.05 0.00 0.01 0.00 0.00 46.19 43.78 1l5i s LEU 50 CO -0.02 0.25 0.70 -1.00 1.01 0.00 0.00 176.35 177.29 1l5i s HIS 51 N -0.29 3.50 -1.32 0.29 3.76 -0.75 -4.91 115.29 115.56 1l5i s HIS 51 Ca 0.16 0.83 0.23 0.00 -0.15 0.00 0.00 55.06 56.14 1l5i s HIS 51 Cb -0.13 -2.28 1.11 0.00 1.11 0.00 0.00 32.58 32.39 1l5i s HIS 51 CO 0.05 -0.06 1.74 -1.91 -0.85 0.00 0.00 174.74 173.72 1l5i n GLU 52 N -1.46 0.24 -0.00 1.40 4.07 -1.26 -2.15 120.64 121.48 1l5i n GLU 52 Ca 0.00 0.08 0.15 0.00 -0.06 0.00 0.00 57.16 57.33 1l5i n GLU 52 Cb 0.54 -1.50 0.75 0.00 -0.06 0.00 0.00 31.44 31.17 1l5i n GLU 52 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1l5i n ASN 53 N -1.34 0.70 0.00 4.31 3.02 -1.26 -4.86 115.26 115.82 1l5i n ASN 53 Ca 0.09 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 1l5i n ASN 53 Cb 0.20 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 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 1.08 0.83 3.67 7.41 0.00 -0.91 -5.02 105.19 112.25 1l5i n GLY 54 Ca 0.22 0.00 -0.38 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 -0.21 4.13 -0.08 1.61 -1.05 -1.26 -4.93 118.70 116.91 1l5i s GLU 55 Ca 0.00 0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.55 1l5i s GLU 55 Cb 0.00 -3.54 -0.03 0.00 -0.44 0.00 0.00 34.13 30.12 1l5i s GLU 55 CO 0.00 -0.01 1.23 -1.25 0.95 0.00 0.00 175.26 176.19 1l5i s PRO 56 N 1.24 4.31 0.23 -4.83 0.04 -1.26 -1.81 135.00 132.92 1l5i s PRO 56 Ca 0.15 1.70 0.11 0.00 0.04 0.00 0.00 61.00 62.99 1l5i s PRO 56 Cb -0.14 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.74 1l5i s PRO 56 CO 0.07 -0.53 -0.18 -1.58 0.04 0.00 0.00 177.00 174.82 1l5i s HIS 57 N 2.57 2.39 -0.01 0.56 2.46 0.07 0.17 115.29 123.50 1l5i s HIS 57 Ca 0.56 -0.31 0.03 0.00 0.47 0.00 0.00 55.06 55.81 1l5i s HIS 57 Cb -0.24 -1.11 -0.01 0.00 -0.13 0.00 0.00 32.58 31.08 1l5i s HIS 57 CO 0.20 0.59 -0.10 -1.17 -2.47 0.00 0.00 174.74 171.80 1l5i s LEU 58 N -3.10 2.03 -0.03 8.88 0.20 -1.00 -0.78 118.68 124.87 1l5i s LEU 58 Ca 0.26 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.92 1l5i s LEU 58 Cb -0.07 -0.51 -0.03 0.00 -0.43 0.00 0.00 46.19 45.15 1l5i s LEU 58 CO 0.13 0.12 -0.11 -1.00 -0.29 0.00 0.00 176.35 175.20 1l5i s HIS 59 N -0.26 2.78 -0.04 5.38 3.76 0.17 -2.38 115.29 124.71 1l5i s HIS 59 Ca 0.04 -0.10 -0.02 0.00 -0.15 0.00 0.00 55.06 54.82 1l5i s HIS 59 Cb -0.04 -1.62 0.02 0.00 1.11 0.00 0.00 32.58 32.05 1l5i s HIS 59 CO -0.00 0.27 0.09 0.42 -0.85 0.00 0.00 174.74 174.67 1l5i s ILE 60 N -0.84 -0.02 -0.17 0.60 1.01 -0.88 -1.08 121.20 119.81 1l5i s ILE 60 Ca 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 1l5i s ILE 60 Cb -0.11 -0.15 0.06 0.00 0.01 0.00 0.00 42.46 42.28 1l5i s ILE 60 CO 0.03 0.04 0.07 -0.22 0.00 0.00 0.00 174.94 174.86 1l5i s LEU 61 N 0.53 0.60 0.11 2.97 1.98 0.13 -1.54 118.68 123.46 1l5i s LEU 61 Ca -0.04 -0.65 0.09 0.00 -2.89 0.00 0.00 54.13 50.64 1l5i s LEU 61 Cb -0.06 -0.35 -0.04 0.00 0.66 0.00 0.00 46.19 46.40 1l5i s LEU 61 CO -0.02 -0.33 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.28 1l5i s ILE 62 N 2.05 2.72 -0.09 6.68 1.01 -0.79 -0.43 121.20 132.36 1l5i s ILE 62 Ca 0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 60.65 59.14 1l5i s ILE 62 Cb -0.16 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.12 1l5i s ILE 62 CO -0.08 0.14 0.01 0.00 0.00 0.00 0.00 174.94 175.00 1l5i s GLN 63 N -2.01 0.57 0.37 2.79 1.03 -1.05 -1.23 119.66 120.12 1l5i s GLN 63 Ca 0.17 0.06 -0.03 0.00 0.04 0.00 0.00 55.36 55.59 1l5i s GLN 63 Cb -0.10 -1.10 -0.04 0.00 0.03 0.00 0.00 33.01 31.79 1l5i s GLN 63 CO 0.09 -0.35 0.62 -0.06 -2.54 0.00 0.00 175.29 173.05 1l5i s PHE 64 N 1.97 3.51 0.41 9.60 0.40 0.14 -2.10 117.98 131.92 1l5i s PHE 64 Ca 0.04 0.59 0.08 0.00 -0.60 0.00 0.00 56.93 57.04 1l5i s PHE 64 Cb -0.13 -2.09 0.89 0.00 0.51 0.00 0.00 43.02 42.20 1l5i s PHE 64 CO -0.06 0.02 2.04 1.49 0.70 0.00 0.00 175.22 179.41 1l5i h GLU 65 N 0.89 0.52 -5.32 0.44 4.81 -1.73 -3.44 114.58 110.75 1l5i h GLU 65 Ca -0.48 -0.03 -0.42 0.00 -0.13 0.00 0.00 59.36 58.30 1l5i h GLU 65 Cb 1.21 -0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.33 1l5i h GLU 65 CO 0.63 0.34 -0.69 0.20 -0.73 0.00 0.00 179.01 178.76 1l5i s GLY 66 N -3.70 1.51 -0.20 1.92 0.00 -1.26 -5.06 107.32 100.52 1l5i s GLY 66 Ca -0.08 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 42.62 1l5i s GLY 66 CO 0.73 -1.72 2.19 0.28 0.00 0.00 0.00 173.10 174.58 1l5i n LYS 67 N -0.41 1.96 -3.22 2.90 5.02 -1.26 -4.61 118.16 118.54 1l5i n LYS 67 Ca -0.07 0.57 -0.38 0.00 -2.02 0.00 0.00 58.31 56.41 1l5i n LYS 67 Cb 0.62 -3.11 -0.06 0.00 -0.02 0.00 0.00 35.03 32.46 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 7.71 3.78 -0.39 2.13 5.04 0.98 -4.76 117.35 131.83 1l5i s TYR 68 Ca 1.00 1.32 -0.15 0.00 -2.44 0.00 0.00 57.07 56.80 1l5i s TYR 68 Cb -0.41 -2.54 0.01 0.00 0.35 0.00 0.00 41.96 39.37 1l5i s TYR 68 CO 0.38 0.52 0.31 1.21 -1.34 0.00 0.00 175.55 176.63 1l5i s ASN 69 N -1.27 6.12 -0.80 4.32 3.04 -1.26 -2.00 114.94 123.09 1l5i s ASN 69 Ca 0.33 -0.72 0.02 0.00 0.04 0.00 0.00 52.86 52.54 1l5i s ASN 69 Cb -0.19 -2.17 0.27 0.00 -1.54 0.00 0.00 41.25 37.62 1l5i s ASN 69 CO 0.20 -0.41 1.01 0.00 -3.04 0.00 0.00 177.10 174.86 1l5i n THR 71 N 1.01 2.72 -3.65 0.00 5.66 -1.26 -2.89 114.28 115.88 1l5i n THR 71 Ca 0.29 -1.56 -0.06 0.00 -3.05 0.00 0.00 64.05 59.67 1l5i n THR 71 Cb 0.38 -0.72 -0.07 0.00 -1.55 0.00 0.00 70.33 68.37 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 -0.71 -0.86 -0.34 1.09 2.47 -1.26 -4.71 114.94 110.62 1l5i s ASN 72 Ca 0.43 1.38 -0.00 0.00 0.42 0.00 0.00 52.86 55.08 1l5i s ASN 72 Cb 0.36 1.59 0.30 0.00 -1.45 0.00 0.00 41.25 42.05 1l5i s ASN 72 CO 0.07 -0.23 1.87 0.00 -3.72 0.00 0.00 177.10 175.09 1l5i n GLN 73 N 4.82 1.89 -0.00 0.43 6.02 -1.26 -3.68 117.38 125.60 1l5i n GLN 73 Ca -0.16 -1.84 0.02 0.00 -0.01 0.00 0.00 57.00 55.01 1l5i n GLN 73 Cb 0.54 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 1l5i n GLN 73 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1l5i n ARG 74 N -0.07 2.21 0.06 -1.09 1.74 -1.26 -4.49 116.66 113.77 1l5i n ARG 74 Ca 0.36 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 57.21 1l5i n ARG 74 Cb 0.78 -0.93 -0.11 0.00 -1.02 0.00 0.00 32.46 31.18 1l5i n ARG 74 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1l5i h PHE 75 N 0.00 0.98 -0.28 -1.55 3.57 -2.01 -3.13 116.94 114.53 1l5i h PHE 75 Ca 0.00 -0.56 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1l5i h PHE 75 Cb 0.14 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1l5i h PHE 75 CO 0.00 1.40 0.00 1.19 -2.23 0.00 0.00 178.31 178.67 1l5i n PHE 76 N -3.82 0.51 -1.92 0.41 3.72 -1.26 -4.85 117.46 110.25 1l5i n PHE 76 Ca -0.11 -0.22 -0.41 0.00 -0.05 0.00 0.00 57.45 56.66 1l5i n PHE 76 Cb 0.91 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 39.35 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 -0.81 5.53 -0.11 4.37 1.01 -1.18 -4.45 116.67 121.03 1l5i s ASP 77 Ca 0.20 1.10 -0.03 0.00 0.71 0.00 0.00 52.55 54.54 1l5i s ASP 77 Cb 0.12 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1l5i s ASP 77 CO 0.11 -2.03 0.01 -0.76 0.21 0.00 0.00 175.17 172.71 1l5i s LEU 78 N 8.16 3.57 0.32 1.23 1.43 -0.88 -4.97 118.68 127.54 1l5i s LEU 78 Ca 0.81 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1l5i s LEU 78 Cb -0.21 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 1l5i s LEU 78 CO 0.30 0.32 -0.08 0.68 0.23 0.00 0.00 176.35 177.80 1l5i s VAL 79 N -0.51 1.98 -0.27 -1.59 -7.23 -1.26 0.50 120.40 112.02 1l5i s VAL 79 Ca 0.09 -2.17 -0.25 0.00 -1.81 0.00 0.00 61.98 57.84 1l5i s VAL 79 Cb -0.12 -2.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.25 1l5i s VAL 79 CO 0.02 -0.24 0.85 -0.55 -0.31 0.00 0.00 175.10 174.87 1l5i s SER 80 N -3.54 6.80 0.00 4.85 0.15 0.29 -4.90 113.70 117.36 1l5i s SER 80 Ca 0.31 0.94 0.23 0.00 0.70 0.00 0.00 55.95 58.14 1l5i s SER 80 Cb 0.03 -2.44 1.21 0.00 -1.71 0.00 0.00 66.02 63.11 1l5i s SER 80 CO 0.15 -0.58 1.76 -0.81 1.20 0.00 0.00 173.24 174.95 1l5i n PRO 81 N 6.15 0.42 -0.01 5.44 -0.04 -1.26 -2.61 135.00 143.09 1l5i n PRO 81 Ca 0.06 0.06 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 1l5i n PRO 81 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.22 0.05 -4.20 0.52 -2.24 -1.26 -5.01 114.28 100.91 1l5i n THR 82 Ca 0.12 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 1l5i n THR 82 Cb 0.16 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.48 0.65 -0.70 -0.78 3.52 -1.07 -5.03 118.95 113.06 1l5i s ARG 83 Ca -0.03 -0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 54.90 1l5i s ARG 83 Cb 0.04 -0.57 -0.16 0.00 -1.56 0.00 0.00 34.95 32.71 1l5i s ARG 83 CO 0.31 0.14 2.96 0.43 -0.81 0.00 0.00 175.30 178.33 1l5i n SER 84 N 2.04 6.06 -4.10 -2.12 7.64 -1.26 -3.74 113.62 118.13 1l5i n SER 84 Ca -0.18 -2.42 -0.26 0.00 1.01 0.00 0.00 58.87 57.01 1l5i n SER 84 Cb 0.56 -1.32 -0.16 0.00 -1.01 0.00 0.00 64.21 62.27 1l5i n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1l5i s ALA 85 N 1.90 1.51 -0.00 -0.43 0.00 -1.26 -5.03 121.76 118.45 1l5i s ALA 85 Ca 0.59 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1l5i s ALA 85 Cb 0.22 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1l5i s ALA 85 CO -0.03 0.21 0.13 -1.01 0.00 0.00 0.00 175.76 175.07 1l5i s HIS 86 N 0.33 3.42 -0.03 0.00 3.76 -1.26 -0.55 115.29 120.96 1l5i s HIS 86 Ca -0.10 0.28 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 1l5i s HIS 86 Cb -0.14 -1.78 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 1l5i s HIS 86 CO 0.04 0.60 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.30 1l5i s PHE 87 N -1.27 1.65 -0.38 1.40 0.08 0.18 -4.97 117.98 114.67 1l5i s PHE 87 Ca 0.25 -0.41 -0.00 0.00 0.12 0.00 0.00 56.93 56.89 1l5i s PHE 87 Cb -0.12 -1.09 0.10 0.00 -0.57 0.00 0.00 43.02 41.34 1l5i s PHE 87 CO 0.17 -0.11 0.14 -1.58 -0.10 0.00 0.00 175.22 173.73 1l5i s HIS 88 N -0.13 3.63 0.71 0.36 5.65 -1.26 -2.07 115.29 122.17 1l5i s HIS 88 Ca 0.00 -2.59 -0.11 0.00 0.25 0.00 0.00 55.06 52.61 1l5i s HIS 88 Cb -0.10 -3.05 0.02 0.00 -1.18 0.00 0.00 32.58 28.27 1l5i s HIS 88 CO 0.01 -0.96 1.07 -1.25 -0.65 0.00 0.00 174.74 172.96 1l5i s PRO 89 N 1.06 2.82 -0.16 2.88 0.04 -1.26 -4.90 135.00 135.49 1l5i s PRO 89 Ca 0.08 0.90 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 1l5i s PRO 89 Cb -0.21 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1l5i s PRO 89 CO -0.05 -1.17 0.70 1.21 0.04 0.00 0.00 177.00 177.72 1l5i s ASN 90 N -3.82 6.83 -0.13 6.66 3.84 -0.13 -4.82 114.94 123.38 1l5i s ASN 90 Ca 0.58 1.01 -0.22 0.00 0.21 0.00 0.00 52.86 54.45 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 -0.26 0.64 -0.63 -2.79 0.00 0.00 177.10 174.60 1l5i s ILE 91 N 1.67 5.06 -0.03 -5.21 1.01 -1.26 -2.44 121.20 120.00 1l5i s ILE 91 Ca 0.33 1.27 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1l5i s ILE 91 Cb -0.16 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1l5i s ILE 91 CO 0.13 0.21 -0.04 -1.58 0.00 0.00 0.00 174.94 173.66 1l5i s GLN 92 N 1.20 0.61 -0.37 2.79 0.74 -0.76 -4.98 119.66 118.89 1l5i s GLN 92 Ca 0.32 -0.10 -0.18 0.00 0.05 0.00 0.00 55.36 55.45 1l5i s GLN 92 Cb -0.16 -0.64 0.00 0.00 1.10 0.00 0.00 33.01 33.30 1l5i s GLN 92 CO 0.14 -0.03 0.51 0.20 -0.55 0.00 0.00 175.29 175.56 1l5i s GLY 93 N 0.60 1.82 -0.39 2.59 0.00 -1.26 -0.05 107.32 110.64 1l5i s GLY 93 Ca -0.07 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 43.30 1l5i s GLY 93 CO -0.00 1.27 0.84 0.00 0.00 0.00 0.00 173.10 175.21 1l5i s ALA 94 N 2.39 3.38 0.03 3.20 0.00 0.11 -4.98 121.76 125.89 1l5i s ALA 94 Ca 0.18 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1l5i s ALA 94 Cb -0.16 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1l5i s ALA 94 CO 0.14 -1.63 0.00 1.17 0.00 0.00 0.00 175.76 175.43 1l5i n LYS 95 N 6.64 3.46 -3.33 0.00 4.81 -1.26 -3.74 118.16 124.73 1l5i n LYS 95 Ca 0.04 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.11 1l5i n LYS 95 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.47 1l5i n LYS 95 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1l5i s SER 96 N -1.52 6.93 0.00 3.14 1.04 -1.26 -4.83 113.70 117.20 1l5i s SER 96 Ca 0.00 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1l5i s SER 96 Cb 0.00 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1l5i s SER 96 CO 0.00 0.20 0.00 -1.20 0.98 0.00 0.00 173.24 173.22 1l5i n SER 97 N 1.29 0.00 -0.00 7.02 7.64 -1.26 -4.97 113.62 123.33 1l5i n SER 97 Ca -0.08 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.94 1l5i n SER 97 Cb 0.51 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.44 1l5i n SER 97 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1l5i n SER 98 N 0.00 0.02 -0.18 6.43 7.64 -1.26 -3.68 113.62 122.59 1l5i n SER 98 Ca 0.00 -0.03 0.29 0.00 1.01 0.00 0.00 58.87 60.14 1l5i n SER 98 Cb 0.00 -0.32 0.60 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.02 0.00 -0.26 6.43 3.58 -2.00 1.87 116.42 126.05 1l5i h ASP 99 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1l5i h ASP 99 Cb 0.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1l5i h ASP 99 CO 0.00 0.00 -0.14 -0.37 -2.88 0.00 0.00 179.24 175.85 1l5i h VAL 100 N 0.00 1.30 -0.78 2.25 -1.51 -2.00 -2.24 116.25 113.27 1l5i h VAL 100 Ca 0.45 -1.24 0.03 0.00 -1.23 0.00 0.00 66.70 64.72 1l5i h VAL 100 Cb 2.40 1.54 -0.05 0.00 -2.13 0.00 0.00 31.29 33.05 1l5i h VAL 100 CO -0.00 0.39 0.50 0.50 -1.23 0.00 0.00 177.57 177.72 1l5i h LYS 101 N 0.29 0.95 -0.18 5.19 3.11 0.26 0.27 116.57 126.47 1l5i h LYS 101 Ca 0.06 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 1l5i h LYS 101 Cb 0.66 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 1l5i h LYS 101 CO 0.04 0.63 0.01 0.77 -2.81 0.00 0.00 179.45 178.09 1l5i h SER 102 N 0.98 -0.06 -0.23 4.20 0.02 -1.25 0.38 113.55 117.59 1l5i h SER 102 Ca 0.31 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1l5i h SER 102 Cb -0.00 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1l5i h SER 102 CO -0.11 -0.00 -0.07 0.22 -1.14 0.00 0.00 176.83 175.73 1l5i h TYR 103 N 0.07 0.63 -0.28 3.45 3.20 -0.78 -1.38 116.97 121.87 1l5i h TYR 103 Ca 0.08 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1l5i h TYR 103 Cb 0.10 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1l5i h TYR 103 CO -0.16 0.64 -0.29 0.82 -1.64 0.00 0.00 178.16 177.54 1l5i h ILE 104 N 0.55 1.28 0.00 1.81 2.04 0.32 -2.06 117.51 121.45 1l5i h ILE 104 Ca 0.11 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 1l5i h ILE 104 Cb 0.45 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1l5i h ILE 104 CO 0.02 0.44 -0.22 0.44 0.00 0.00 0.00 178.15 178.83 1l5i h ASP 105 N 0.50 0.00 0.00 1.72 5.19 0.29 -3.34 116.42 120.78 1l5i h ASP 105 Ca 0.06 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.84 1l5i h ASP 105 Cb 0.75 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.27 1l5i h ASP 105 CO 0.06 0.22 2.81 0.29 -3.12 0.00 0.00 179.24 179.50 1l5i n LYS 106 N -3.36 2.30 -2.10 3.56 5.02 -0.57 -4.90 118.16 118.10 1l5i n LYS 106 Ca 0.00 -2.08 -0.28 0.00 -2.02 0.00 0.00 58.31 53.94 1l5i n LYS 106 Cb 0.44 -2.95 0.06 0.00 -0.02 0.00 0.00 35.03 32.56 1l5i n LYS 106 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1l5i s ASP 107 N 3.82 5.07 0.00 4.39 -4.77 -1.26 -5.00 116.67 118.92 1l5i s ASP 107 Ca 0.52 0.75 0.00 0.00 -3.30 0.00 0.00 52.55 50.53 1l5i s ASP 107 Cb 0.14 -1.48 0.00 0.00 -1.09 0.00 0.00 42.92 40.49 1l5i s ASP 107 CO 0.00 -1.49 0.00 0.61 0.70 0.00 0.00 175.17 174.99 1l5i n GLY 108 N -2.96 -0.34 1.71 2.12 0.00 -1.26 -5.01 105.19 99.45 1l5i n GLY 108 Ca 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.63 -4.10 1.61 8.00 -1.26 -5.07 116.55 113.10 1l5i n ASP 109 Ca 0.00 -0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.35 1l5i n ASP 109 Cb 0.00 -1.22 -0.10 0.00 -0.02 0.00 0.00 41.12 39.78 1l5i n ASP 109 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1l5i s VAL 110 N -3.03 0.14 -0.32 2.53 0.11 -1.26 -4.73 120.40 113.83 1l5i s VAL 110 Ca 0.04 -1.81 -0.09 0.00 -2.93 0.00 0.00 61.98 57.19 1l5i s VAL 110 Cb -0.01 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1l5i s VAL 110 CO 0.09 -0.63 0.15 -0.22 -3.33 0.00 0.00 175.10 171.16 1l5i s LEU 111 N -2.99 4.15 -0.11 2.54 0.20 -0.81 -5.03 118.68 116.63 1l5i s LEU 111 Ca 0.17 -0.62 -0.02 0.00 0.69 0.00 0.00 54.13 54.35 1l5i s LEU 111 Cb 0.07 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 1l5i s LEU 111 CO -0.03 -0.22 -0.03 -1.61 -0.29 0.00 0.00 176.35 174.17 1l5i s GLU 112 N 1.59 3.23 0.02 1.98 2.02 -1.26 -2.40 118.70 123.86 1l5i s GLU 112 Ca 0.04 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.55 1l5i s GLU 112 Cb -0.17 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 1l5i s GLU 112 CO 0.06 0.49 -0.04 -0.46 0.02 0.00 0.00 175.26 175.33 1l5i s TRP 113 N -0.33 0.32 0.16 1.61 -0.00 -0.81 -5.00 118.94 114.89 1l5i s TRP 113 Ca 0.06 -0.33 0.00 0.00 -0.00 0.00 0.00 56.10 55.82 1l5i s TRP 113 Cb -0.12 -0.21 0.00 0.00 -0.00 0.00 0.00 33.47 33.14 1l5i s TRP 113 CO 0.02 -0.09 0.00 0.41 -0.00 0.00 0.00 176.95 177.29 1l5i n GLY 114 N 2.11 -1.80 3.12 5.86 0.00 -1.26 0.31 105.19 113.54 1l5i n GLY 114 Ca -0.19 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.26 1.64 0.42 2.61 2.01 -1.24 -4.69 115.64 115.14 1l5i s THR 115 Ca 0.00 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 1l5i s THR 115 Cb 0.00 -1.45 -0.11 0.00 0.01 0.00 0.00 72.50 70.95 1l5i s THR 115 CO 0.00 0.47 0.95 0.12 -0.69 0.00 0.00 174.62 175.47 1l5i s PHE 116 N 0.61 3.33 -0.56 4.92 2.19 -1.26 -3.93 117.98 123.29 1l5i s PHE 116 Ca -0.14 1.62 -0.10 0.00 0.33 0.00 0.00 56.93 58.64 1l5i s PHE 116 Cb -0.16 -2.86 0.14 0.00 -1.31 0.00 0.00 43.02 38.83 1l5i s PHE 116 CO 0.04 -0.10 0.46 -0.65 1.83 0.00 0.00 175.22 176.80 1l5i s GLN 117 N -3.09 2.77 -0.41 10.12 -1.52 -1.26 -5.04 119.66 121.23 1l5i s GLN 117 Ca 0.61 -1.97 -0.26 0.00 -1.95 0.00 0.00 55.36 51.79 1l5i s GLN 117 Cb -0.10 -4.06 0.02 0.00 -0.22 0.00 0.00 33.01 28.66 1l5i s GLN 117 CO 0.14 -1.23 0.93 0.42 -0.25 0.00 0.00 175.29 175.29 1l5i s ILE 118 N 1.02 4.53 -0.15 1.08 1.09 -1.26 -4.90 121.20 122.61 1l5i s ILE 118 Ca 0.09 0.98 -0.14 0.00 -1.10 0.00 0.00 60.65 60.47 1l5i s ILE 118 Cb -0.23 -4.38 -0.11 0.00 -1.06 0.00 0.00 42.46 36.67 1l5i s ILE 118 CO -0.02 -0.68 0.16 0.44 -0.10 0.00 0.00 174.94 174.74 1l5i h ASP 119 N 8.78 0.00 -0.38 3.58 5.19 -2.01 -3.47 116.42 128.11 1l5i h ASP 119 Ca -0.24 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 1l5i h ASP 119 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1l5i h ASP 119 CO 1.00 0.94 0.00 0.61 -3.12 0.00 0.00 179.24 178.68 1l5i n GLY 120 N 1.60 -2.75 0.33 2.75 0.00 -1.26 -5.24 105.19 100.62 1l5i n GLY 120 Ca -0.13 -0.92 0.15 0.00 0.00 0.00 0.00 46.02 45.12 1l5i n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86