#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 2.46 3.19 5.00 0.00 -1.26 -5.16 105.19 109.42 1l5i n GLY 5 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1l5i n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1l5i s ARG 6 N 2.58 0.89 -0.65 1.61 1.81 -1.26 -5.10 118.95 118.84 1l5i s ARG 6 Ca 0.00 -1.17 -0.28 0.00 -1.72 0.00 0.00 55.73 52.56 1l5i s ARG 6 Cb 0.00 -0.64 0.03 0.00 -0.45 0.00 0.00 34.95 33.88 1l5i s ARG 6 CO 0.00 0.11 1.29 0.12 -0.68 0.00 0.00 175.30 176.14 1l5i s PHE 7 N -2.31 2.38 -0.21 -0.53 5.36 -1.26 -4.96 117.98 116.45 1l5i s PHE 7 Ca 0.06 0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1l5i s PHE 7 Cb -0.04 -4.53 0.06 0.00 -0.34 0.00 0.00 43.02 38.17 1l5i s PHE 7 CO 0.01 -1.89 0.01 -1.54 -1.46 0.00 0.00 175.22 170.35 1l5i s SER 8 N 3.73 3.21 -0.16 6.13 1.04 -1.26 -4.15 113.70 122.24 1l5i s SER 8 Ca 0.42 -0.94 -0.07 0.00 0.48 0.00 0.00 55.95 55.84 1l5i s SER 8 Cb -0.08 -0.77 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 1l5i s SER 8 CO 0.21 -0.29 0.09 -0.63 0.98 0.00 0.00 173.24 173.59 1l5i s ILE 9 N 1.72 5.02 -0.19 -1.02 1.01 -1.14 -4.91 121.20 121.69 1l5i s ILE 9 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1l5i s ILE 9 Cb -0.18 -3.23 0.06 0.00 0.01 0.00 0.00 42.46 39.12 1l5i s ILE 9 CO -0.08 0.51 0.03 -0.54 0.00 0.00 0.00 174.94 174.87 1l5i s LYS 10 N -0.11 0.64 0.15 2.79 1.02 -1.26 0.59 119.74 123.57 1l5i s LYS 10 Ca 0.08 -0.40 -0.24 0.00 0.02 0.00 0.00 55.97 55.44 1l5i s LYS 10 Cb -0.12 -2.06 0.06 0.00 -0.52 0.00 0.00 37.83 35.19 1l5i s LYS 10 CO 0.01 -0.63 0.73 0.00 -0.92 0.00 0.00 175.35 174.54 1l5i s ALA 11 N 1.87 -1.56 -0.17 5.17 0.00 -0.96 -4.97 121.76 121.14 1l5i s ALA 11 Ca -0.01 0.36 0.18 0.00 0.00 0.00 0.00 51.96 52.50 1l5i s ALA 11 Cb -0.17 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 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 0.00 -5.96 0.00 3.11 -1.85 -0.23 116.57 113.64 1l5i h LYS 12 Ca -0.27 0.00 -0.68 0.00 -2.81 0.00 0.00 60.65 56.89 1l5i h LYS 12 Cb 1.27 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 32.25 1l5i h LYS 12 CO 0.31 0.24 -0.78 -0.80 -2.81 0.00 0.00 179.45 175.61 1l5i s ASN 13 N -5.82 3.95 -0.03 4.20 0.01 -1.26 -2.43 114.94 113.56 1l5i s ASN 13 Ca -0.01 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 51.90 1l5i s ASN 13 Cb 0.08 -1.11 0.01 0.00 0.41 0.00 0.00 41.25 40.65 1l5i s ASN 13 CO 0.79 0.28 -0.07 -0.31 -1.51 0.00 0.00 177.10 176.27 1l5i s TYR 14 N -0.32 0.86 -0.13 2.20 2.02 -0.89 -2.31 117.35 118.78 1l5i s TYR 14 Ca 0.03 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1l5i s TYR 14 Cb -0.13 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.78 1l5i s TYR 14 CO 0.03 -0.14 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.59 1l5i s PHE 15 N 0.47 2.66 -0.16 2.71 0.40 -0.01 -1.93 117.98 122.11 1l5i s PHE 15 Ca -0.07 -1.25 -0.06 0.00 -0.60 0.00 0.00 56.93 54.95 1l5i s PHE 15 Cb -0.11 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1l5i s PHE 15 CO 0.01 -0.55 0.04 -0.51 0.70 0.00 0.00 175.22 174.90 1l5i s LEU 16 N 0.71 3.73 -0.09 -0.37 2.01 -0.70 -2.22 118.68 121.75 1l5i s LEU 16 Ca -0.10 0.08 0.04 0.00 0.01 0.00 0.00 54.13 54.16 1l5i s LEU 16 Cb -0.16 -1.92 -0.00 0.00 0.01 0.00 0.00 46.19 44.11 1l5i s LEU 16 CO 0.01 0.21 -0.23 -0.89 1.01 0.00 0.00 176.35 176.45 1l5i s THR 17 N 0.15 2.14 -0.30 5.49 2.01 -1.01 -1.94 115.64 122.18 1l5i s THR 17 Ca 0.04 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1l5i s THR 17 Cb -0.12 -1.81 0.09 0.00 0.01 0.00 0.00 72.50 70.66 1l5i s THR 17 CO 0.01 0.56 0.01 -0.31 -0.69 0.00 0.00 174.62 174.20 1l5i s TYR 18 N 0.20 3.04 0.16 4.92 1.51 -1.01 -1.17 117.35 125.00 1l5i s TYR 18 Ca -0.14 -2.42 -0.30 0.00 -1.01 0.00 0.00 57.07 53.20 1l5i s TYR 18 Cb -0.17 -2.29 -0.07 0.00 -0.11 0.00 0.00 41.96 39.32 1l5i s TYR 18 CO 0.07 -0.89 1.13 -1.25 -1.11 0.00 0.00 175.55 173.50 1l5i s PRO 19 N 1.16 4.55 -1.26 -1.71 0.04 -1.26 -2.39 135.00 134.14 1l5i s PRO 19 Ca 0.04 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1l5i s PRO 19 Cb -0.19 -3.29 0.04 0.00 0.04 0.00 0.00 34.50 31.11 1l5i s PRO 19 CO -0.10 -0.01 0.55 1.63 0.04 0.00 0.00 177.00 179.10 1l5i n LYS 20 N 2.68 -0.33 -4.24 4.56 4.01 -0.43 -4.91 118.16 119.49 1l5i n LYS 20 Ca 0.04 0.05 -0.34 0.00 -0.51 0.00 0.00 58.31 57.55 1l5i n LYS 20 Cb 0.46 -2.57 -0.14 0.00 -0.51 0.00 0.00 35.03 32.27 1l5i n LYS 20 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1l5i n ASP 22 N 4.20 1.30 -4.74 0.00 -0.08 -1.26 -4.46 116.55 111.51 1l5i n ASP 22 Ca -0.18 -2.01 -0.41 0.00 -1.51 0.00 0.00 54.79 50.67 1l5i n ASP 22 Cb 0.52 -0.17 -0.03 0.00 2.34 0.00 0.00 41.12 43.77 1l5i n ASP 22 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1l5i s LEU 23 N -0.99 4.43 0.53 -2.67 2.96 -1.26 -5.02 118.68 116.65 1l5i s LEU 23 Ca 0.16 2.31 -0.05 0.00 -0.22 0.00 0.00 54.13 56.32 1l5i s LEU 23 Cb 0.08 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 1l5i s LEU 23 CO 0.10 -0.46 0.83 0.42 -1.32 0.00 0.00 176.35 175.93 1l5i s THR 24 N 0.08 4.40 0.31 3.68 -4.23 -1.26 -4.94 115.64 113.68 1l5i s THR 24 Ca 0.55 0.12 0.14 0.00 -1.18 0.00 0.00 61.69 61.33 1l5i s THR 24 Cb -0.34 -3.70 0.09 0.00 1.34 0.00 0.00 72.50 69.89 1l5i s THR 24 CO 0.37 -0.70 1.78 0.07 -0.54 0.00 0.00 174.62 175.60 1l5i h LYS 25 N 0.06 0.00 -0.15 3.99 2.10 -1.96 -0.33 116.57 120.28 1l5i h LYS 25 Ca -0.46 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 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 0.41 0.00 1.49 -2.00 0.00 0.00 179.45 179.96 1l5i h GLU 26 N 0.00 0.26 -0.29 0.07 4.81 -1.97 1.41 114.58 118.88 1l5i h GLU 26 Ca -0.00 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1l5i h GLU 26 Cb 0.78 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1l5i h GLU 26 CO 0.05 0.49 -0.13 -0.91 -0.73 0.00 0.00 179.01 177.78 1l5i h ASN 27 N 0.00 0.61 -0.17 1.04 -0.26 -1.92 0.27 115.58 115.15 1l5i h ASN 27 Ca 0.04 -0.41 -0.10 0.00 -0.56 0.00 0.00 56.30 55.27 1l5i h ASN 27 Cb 0.37 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1l5i h ASN 27 CO 0.01 0.88 -0.23 0.00 -1.06 0.00 0.00 177.43 177.03 1l5i h ALA 28 N 0.75 1.00 -0.12 -0.83 0.00 -1.00 0.41 119.26 119.47 1l5i h ALA 28 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1l5i h ALA 28 Cb 0.65 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1l5i h ALA 28 CO 0.04 0.59 -0.04 1.25 0.00 0.00 0.00 179.25 181.09 1l5i h LEU 29 N 0.55 0.24 -0.42 0.00 7.12 0.21 0.34 115.31 123.34 1l5i h LEU 29 Ca 0.08 -0.39 -0.04 0.00 0.13 0.00 0.00 57.88 57.65 1l5i h LEU 29 Cb 0.69 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 1l5i h LEU 29 CO 0.05 0.58 0.10 0.77 -0.13 0.00 0.00 178.44 179.81 1l5i h SER 30 N -0.10 0.65 -0.33 1.25 4.64 -0.30 -1.32 113.55 118.04 1l5i h SER 30 Ca 0.03 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 1l5i h SER 30 Cb 0.48 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1l5i h SER 30 CO 0.01 0.72 -0.02 1.56 -0.87 0.00 0.00 176.83 178.23 1l5i h GLN 31 N 0.55 0.71 -0.24 4.77 4.20 -0.14 -1.97 115.11 122.99 1l5i h GLN 31 Ca 0.13 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1l5i h GLN 31 Cb 0.33 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1l5i h GLN 31 CO 0.00 0.74 -0.15 0.82 -0.67 0.00 0.00 178.83 179.57 1l5i h ILE 32 N 0.66 1.22 -0.58 2.54 1.08 0.02 -1.56 117.51 120.89 1l5i h ILE 32 Ca 0.13 -0.98 -0.08 0.00 -0.39 0.00 0.00 64.86 63.54 1l5i h ILE 32 Cb 0.44 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1l5i h ILE 32 CO 0.02 0.31 0.04 0.74 -0.69 0.00 0.00 178.15 178.58 1l5i h THR 33 N 0.37 1.26 0.00 -0.27 2.02 -0.51 -1.65 112.91 114.13 1l5i h THR 33 Ca 0.07 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1l5i h THR 33 Cb 0.48 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1l5i h THR 33 CO 0.03 0.39 0.00 0.59 0.37 0.00 0.00 175.52 176.90 1l5i n ASN 34 N -4.27 0.37 -4.63 4.18 4.13 -0.95 -4.67 115.26 109.42 1l5i n ASN 34 Ca 0.02 0.56 -0.43 0.00 1.68 0.00 0.00 54.58 56.42 1l5i n ASN 34 Cb 0.31 -0.65 -0.02 0.00 -1.54 0.00 0.00 39.78 37.87 1l5i n ASN 34 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1l5i s LEU 35 N -3.76 3.90 0.52 3.41 1.02 -0.62 -5.00 118.68 118.15 1l5i s LEU 35 Ca 0.09 1.38 -0.05 0.00 0.02 0.00 0.00 54.13 55.56 1l5i s LEU 35 Cb 0.12 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.78 1l5i s LEU 35 CO 0.43 -1.14 0.83 -1.58 0.02 0.00 0.00 176.35 174.91 1l5i s GLN 36 N 4.34 3.30 0.05 1.70 2.00 -1.26 -4.98 119.66 124.80 1l5i s GLN 36 Ca 0.62 0.10 -0.10 0.00 -2.00 0.00 0.00 55.36 53.98 1l5i s GLN 36 Cb -0.20 -2.34 0.01 0.00 0.80 0.00 0.00 33.01 31.28 1l5i s GLN 36 CO 0.25 -0.39 0.22 -0.08 -0.50 0.00 0.00 175.29 174.79 1l5i s THR 37 N -2.83 0.11 -1.37 -0.34 -1.32 -1.26 -5.02 115.64 103.60 1l5i s THR 37 Ca 0.50 -0.90 0.23 0.00 -1.21 0.00 0.00 61.69 60.31 1l5i s THR 37 Cb -0.10 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.26 1l5i s THR 37 CO 0.45 -0.49 1.74 -0.81 -2.21 0.00 0.00 174.62 173.29 1l5i n PRO 38 N 0.51 0.28 0.00 7.08 -0.04 -1.26 -4.59 135.00 136.98 1l5i n PRO 38 Ca -0.18 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 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 -1.31 0.00 -3.62 0.52 5.66 -1.26 -5.10 114.28 109.16 1l5i n THR 39 Ca 0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.02 1l5i n THR 39 Cb 0.19 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.91 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 0.19 -0.33 -0.29 1.09 2.47 -1.26 -4.99 114.94 111.83 1l5i s ASN 40 Ca 0.00 0.54 -0.19 0.00 0.42 0.00 0.00 52.86 53.63 1l5i s ASN 40 Cb 0.00 0.51 -0.02 0.00 -1.45 0.00 0.00 41.25 40.30 1l5i s ASN 40 CO 0.00 -0.18 0.59 -0.54 -3.72 0.00 0.00 177.10 173.24 1l5i s LYS 41 N -0.32 3.96 -0.10 0.43 1.02 -1.26 -1.99 119.74 121.48 1l5i s LYS 41 Ca 0.03 0.31 -0.07 0.00 0.02 0.00 0.00 55.97 56.25 1l5i s LYS 41 Cb -0.03 -3.70 -0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1l5i s LYS 41 CO -0.05 -0.49 -0.14 -0.11 -0.92 0.00 0.00 175.35 173.64 1l5i n LEU 42 N 5.74 1.26 -4.16 3.17 7.94 -0.66 -4.92 117.00 125.37 1l5i n LEU 42 Ca -0.02 0.49 -0.10 0.00 -1.11 0.00 0.00 56.01 55.26 1l5i n LEU 42 Cb 0.49 -0.75 -0.10 0.00 0.53 0.00 0.00 43.42 43.59 1l5i n LEU 42 CO 0.44 -0.47 -0.36 0.12 -1.11 0.00 0.00 177.39 176.01 1l5i s PHE 43 N -1.91 0.83 -0.02 1.96 2.19 -1.16 -1.97 117.98 117.91 1l5i s PHE 43 Ca -0.11 -1.00 0.01 0.00 0.33 0.00 0.00 56.93 56.16 1l5i s PHE 43 Cb 0.02 -0.50 0.01 0.00 -1.31 0.00 0.00 43.02 41.23 1l5i s PHE 43 CO 0.17 -0.26 -0.04 0.42 1.83 0.00 0.00 175.22 177.34 1l5i s ILE 44 N -3.75 0.36 -0.24 3.12 1.01 0.76 -2.37 121.20 120.08 1l5i s ILE 44 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 1l5i s ILE 44 Cb 0.06 -0.35 0.07 0.00 0.01 0.00 0.00 42.46 42.25 1l5i s ILE 44 CO -0.04 0.14 -0.00 -0.75 0.00 0.00 0.00 174.94 174.28 1l5i s LYS 45 N 0.34 1.25 -0.25 2.79 2.47 0.16 -2.34 119.74 124.15 1l5i s LYS 45 Ca -0.04 -0.91 -0.02 0.00 -1.56 0.00 0.00 55.97 53.44 1l5i s LYS 45 Cb -0.07 -2.43 0.02 0.00 -1.46 0.00 0.00 37.83 33.90 1l5i s LYS 45 CO -0.00 -0.68 -0.04 0.42 0.16 0.00 0.00 175.35 175.20 1l5i s ILE 46 N 1.51 2.99 -0.02 5.43 1.01 -0.95 0.40 121.20 131.57 1l5i s ILE 46 Ca -0.02 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.69 1l5i s ILE 46 Cb -0.18 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1l5i s ILE 46 CO -0.09 0.18 -0.19 0.00 0.00 0.00 0.00 174.94 174.83 1l5i s ARG 48 N -0.34 3.62 -0.08 0.00 3.52 -1.26 -1.25 118.95 123.15 1l5i s ARG 48 Ca 0.05 -0.01 -0.07 0.00 -0.13 0.00 0.00 55.73 55.56 1l5i s ARG 48 Cb -0.09 -3.08 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1l5i s ARG 48 CO 0.00 0.64 0.21 -2.00 -0.81 0.00 0.00 175.30 173.35 1l5i s GLU 49 N -1.70 0.24 -0.04 5.12 2.56 -0.81 -4.94 118.70 119.13 1l5i s GLU 49 Ca 0.27 0.31 0.05 0.00 0.00 0.00 0.00 54.97 55.60 1l5i s GLU 49 Cb -0.13 0.11 -0.01 0.00 2.00 0.00 0.00 34.13 36.10 1l5i s GLU 49 CO 0.16 -0.04 -0.18 -0.51 -0.56 0.00 0.00 175.26 174.12 1l5i s LEU 50 N 0.18 1.95 0.37 2.70 1.02 -1.26 -0.20 118.68 123.43 1l5i s LEU 50 Ca -0.01 -0.37 -0.03 0.00 0.02 0.00 0.00 54.13 53.74 1l5i s LEU 50 Cb -0.02 -1.02 -0.04 0.00 0.02 0.00 0.00 46.19 45.13 1l5i s LEU 50 CO -0.00 0.17 0.63 -1.00 0.02 0.00 0.00 176.35 176.17 1l5i s HIS 51 N -0.04 3.51 -1.51 0.29 3.76 -1.01 -4.95 115.29 115.34 1l5i s HIS 51 Ca -0.02 0.60 0.14 0.00 -0.15 0.00 0.00 55.06 55.62 1l5i s HIS 51 Cb -0.11 -2.10 0.71 0.00 1.11 0.00 0.00 32.58 32.19 1l5i s HIS 51 CO 0.02 0.01 1.34 -1.91 -0.85 0.00 0.00 174.74 173.36 1l5i n GLU 52 N -1.64 0.23 0.00 1.40 0.00 -1.26 -1.55 120.64 117.82 1l5i n GLU 52 Ca -0.02 0.14 0.16 0.00 0.00 0.00 0.00 57.16 57.43 1l5i n GLU 52 Cb 0.55 -1.50 0.87 0.00 0.00 0.00 0.00 31.44 31.36 1l5i n GLU 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1l5i n ASN 53 N -1.24 0.01 0.00 4.31 4.13 -1.26 -4.85 115.26 116.36 1l5i n ASN 53 Ca 0.07 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.67 1l5i n ASN 53 Cb 0.10 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 1l5i n ASN 53 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1l5i n GLY 54 N 1.12 0.67 3.64 7.41 0.00 -0.60 -5.01 105.19 112.42 1l5i n GLY 54 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.03 4.08 -0.06 1.61 -1.05 -1.25 -4.97 118.70 117.04 1l5i s GLU 55 Ca 0.00 0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.57 1l5i s GLU 55 Cb 0.00 -3.59 -0.03 0.00 -0.44 0.00 0.00 34.13 30.06 1l5i s GLU 55 CO 0.00 -0.13 1.22 -1.25 0.95 0.00 0.00 175.26 176.05 1l5i s PRO 56 N 1.62 4.34 0.17 -4.83 0.04 -1.26 -2.39 135.00 132.68 1l5i s PRO 56 Ca 0.15 1.70 0.10 0.00 0.04 0.00 0.00 61.00 62.99 1l5i s PRO 56 Cb -0.15 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 1l5i s PRO 56 CO 0.08 -0.48 -0.15 -1.58 0.04 0.00 0.00 177.00 174.92 1l5i s HIS 57 N 2.32 2.53 -0.00 0.56 2.46 0.71 0.40 115.29 124.28 1l5i s HIS 57 Ca 0.56 -0.26 0.03 0.00 0.47 0.00 0.00 55.06 55.86 1l5i s HIS 57 Cb -0.25 -1.26 -0.01 0.00 -0.13 0.00 0.00 32.58 30.93 1l5i s HIS 57 CO 0.22 0.49 -0.10 -1.17 -2.47 0.00 0.00 174.74 171.71 1l5i s LEU 58 N -2.68 2.03 -0.03 8.88 1.98 -1.00 -1.92 118.68 125.94 1l5i s LEU 58 Ca 0.23 -0.19 0.05 0.00 -2.89 0.00 0.00 54.13 51.33 1l5i s LEU 58 Cb -0.09 -0.49 -0.01 0.00 0.66 0.00 0.00 46.19 46.26 1l5i s LEU 58 CO 0.13 0.11 -0.20 -1.00 -1.89 0.00 0.00 176.35 173.50 1l5i s HIS 59 N -0.27 1.89 -0.01 5.38 3.76 -0.38 -2.40 115.29 123.26 1l5i s HIS 59 Ca 0.03 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1l5i s HIS 59 Cb -0.04 -1.24 -0.00 0.00 1.11 0.00 0.00 32.58 32.41 1l5i s HIS 59 CO -0.00 -0.12 -0.06 0.42 -0.85 0.00 0.00 174.74 174.13 1l5i s ILE 60 N -0.22 0.49 -0.16 0.60 1.01 -0.82 -1.42 121.20 120.68 1l5i s ILE 60 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 1l5i s ILE 60 Cb -0.10 -0.41 0.06 0.00 0.01 0.00 0.00 42.46 42.01 1l5i s ILE 60 CO 0.01 0.14 0.07 -0.22 0.00 0.00 0.00 174.94 174.94 1l5i s LEU 61 N -0.13 0.55 0.07 2.97 1.98 0.16 -1.71 118.68 122.57 1l5i s LEU 61 Ca 0.02 -0.60 0.08 0.00 -2.89 0.00 0.00 54.13 50.75 1l5i s LEU 61 Cb -0.03 -0.33 -0.03 0.00 0.66 0.00 0.00 46.19 46.46 1l5i s LEU 61 CO -0.00 -0.33 -0.21 -0.63 -1.89 0.00 0.00 176.35 173.29 1l5i s ILE 62 N 2.06 2.62 -0.11 6.68 1.01 -0.81 0.37 121.20 133.02 1l5i s ILE 62 Ca 0.02 -1.36 -0.01 0.00 0.00 0.00 0.00 60.65 59.30 1l5i s ILE 62 Cb -0.16 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.22 1l5i s ILE 62 CO -0.08 0.26 -0.04 0.00 0.00 0.00 0.00 174.94 175.07 1l5i s GLN 63 N -1.63 1.19 0.30 2.79 1.03 -1.00 -2.11 119.66 120.24 1l5i s GLN 63 Ca 0.15 -0.17 -0.02 0.00 0.04 0.00 0.00 55.36 55.36 1l5i s GLN 63 Cb -0.10 -1.45 -0.04 0.00 0.03 0.00 0.00 33.01 31.44 1l5i s GLN 63 CO 0.06 -0.31 0.53 -0.06 -2.54 0.00 0.00 175.29 172.97 1l5i s PHE 64 N 1.79 3.49 0.39 9.60 0.08 -1.02 -1.66 117.98 130.66 1l5i s PHE 64 Ca 0.04 0.48 0.07 0.00 0.12 0.00 0.00 56.93 57.64 1l5i s PHE 64 Cb -0.13 -1.98 0.78 0.00 -0.57 0.00 0.00 43.02 41.12 1l5i s PHE 64 CO -0.07 0.18 1.98 1.49 -0.10 0.00 0.00 175.22 178.70 1l5i h GLU 65 N 1.34 0.46 -5.36 0.44 4.81 -1.74 -3.44 114.58 111.10 1l5i h GLU 65 Ca -0.48 -0.06 -0.43 0.00 -0.13 0.00 0.00 59.36 58.25 1l5i h GLU 65 Cb 1.20 -0.09 -0.14 0.00 0.63 0.00 0.00 28.75 30.35 1l5i h GLU 65 CO 0.64 0.41 -0.69 0.20 -0.73 0.00 0.00 179.01 178.84 1l5i s GLY 66 N -3.81 1.56 0.01 1.92 0.00 -1.26 -5.05 107.32 100.68 1l5i s GLY 66 Ca -0.07 -1.75 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 1l5i s GLY 66 CO 0.74 -1.74 1.99 0.28 0.00 0.00 0.00 173.10 174.36 1l5i n LYS 67 N -0.44 2.75 -3.75 2.90 5.02 -1.26 -4.72 118.16 118.66 1l5i n LYS 67 Ca -0.07 1.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.86 1l5i n LYS 67 Cb 0.62 -2.99 -0.06 0.00 -0.02 0.00 0.00 35.03 32.59 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 4.70 3.61 -0.32 2.13 5.04 -0.10 -4.85 117.35 127.56 1l5i s TYR 68 Ca 0.90 0.63 -0.11 0.00 -2.44 0.00 0.00 57.07 56.06 1l5i s TYR 68 Cb -0.45 -2.03 -0.01 0.00 0.35 0.00 0.00 41.96 39.82 1l5i s TYR 68 CO 0.43 0.65 0.18 1.21 -1.34 0.00 0.00 175.55 176.68 1l5i s ASN 69 N -1.40 5.73 -0.81 4.32 3.04 -1.26 -2.25 114.94 122.31 1l5i s ASN 69 Ca 0.23 -0.47 0.02 0.00 0.04 0.00 0.00 52.86 52.68 1l5i s ASN 69 Cb -0.13 -2.05 0.28 0.00 -1.54 0.00 0.00 41.25 37.80 1l5i s ASN 69 CO 0.12 -0.20 1.05 0.00 -3.04 0.00 0.00 177.10 175.03 1l5i n THR 71 N 0.99 2.43 -3.38 0.00 5.66 -1.26 -2.90 114.28 115.82 1l5i n THR 71 Ca 0.29 -1.25 0.02 0.00 -3.05 0.00 0.00 64.05 60.05 1l5i n THR 71 Cb 0.38 -0.64 -0.03 0.00 -1.55 0.00 0.00 70.33 68.49 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 -0.52 -0.96 -0.08 1.09 2.47 -1.26 -4.73 114.94 110.95 1l5i s ASN 72 Ca 0.38 1.00 -0.05 0.00 0.42 0.00 0.00 52.86 54.61 1l5i s ASN 72 Cb 0.31 1.96 -0.16 0.00 -1.45 0.00 0.00 41.25 41.92 1l5i s ASN 72 CO 0.07 -0.18 3.18 0.00 -3.72 0.00 0.00 177.10 176.45 1l5i n GLN 73 N 5.32 1.90 -0.00 0.43 6.02 -1.26 -3.43 117.38 126.35 1l5i n GLN 73 Ca -0.08 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.84 1l5i n GLN 73 Cb 0.51 -1.85 -0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 2.01 1.07 0.07 -1.09 5.12 -1.26 -4.52 116.66 118.05 1l5i n ARG 74 Ca 0.37 -0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 56.09 1l5i n ARG 74 Cb 0.78 -0.92 -0.10 0.00 -1.16 0.00 0.00 32.46 31.06 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 0.91 -0.31 -1.55 3.57 -1.98 -3.13 116.94 114.45 1l5i h PHE 75 Ca 0.00 -0.54 0.00 0.00 3.53 0.00 0.00 57.97 60.96 1l5i h PHE 75 Cb 0.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1l5i h PHE 75 CO 0.00 1.37 0.00 1.19 -2.23 0.00 0.00 178.31 178.64 1l5i n PHE 76 N -3.79 0.59 -1.93 0.41 3.72 -1.26 -4.86 117.46 110.34 1l5i n PHE 76 Ca -0.11 -0.25 -0.43 0.00 -0.05 0.00 0.00 57.45 56.61 1l5i n PHE 76 Cb 0.92 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.79 5.76 -0.09 4.37 1.01 -1.19 -4.44 116.67 121.30 1l5i s ASP 77 Ca 0.23 1.35 -0.00 0.00 0.71 0.00 0.00 52.55 54.83 1l5i s ASP 77 Cb 0.14 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1l5i s ASP 77 CO 0.12 -1.80 -0.06 -0.76 0.21 0.00 0.00 175.17 172.88 1l5i s LEU 78 N 7.33 3.19 0.30 1.23 1.43 -0.92 -4.99 118.68 126.25 1l5i s LEU 78 Ca 0.83 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.97 1l5i s LEU 78 Cb -0.24 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.22 1l5i s LEU 78 CO 0.33 0.32 -0.09 0.68 0.23 0.00 0.00 176.35 177.82 1l5i s VAL 79 N -0.56 1.96 -0.28 -1.59 -7.23 -1.26 0.41 120.40 111.86 1l5i s VAL 79 Ca 0.08 -2.19 -0.24 0.00 -1.81 0.00 0.00 61.98 57.83 1l5i s VAL 79 Cb -0.12 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 1l5i s VAL 79 CO 0.02 -0.28 0.82 -0.55 -0.31 0.00 0.00 175.10 174.80 1l5i s SER 80 N -3.51 6.75 0.00 4.85 0.15 -0.18 -4.90 113.70 116.86 1l5i s SER 80 Ca 0.30 0.85 0.24 0.00 0.70 0.00 0.00 55.95 58.04 1l5i s SER 80 Cb 0.02 -2.43 1.34 0.00 -1.71 0.00 0.00 66.02 63.24 1l5i s SER 80 CO 0.14 -0.58 1.78 -0.81 1.20 0.00 0.00 173.24 174.96 1l5i n PRO 81 N 6.15 0.61 -0.00 5.44 -0.04 -1.26 -2.51 135.00 143.38 1l5i n PRO 81 Ca 0.05 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1l5i n PRO 81 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.10 0.03 -4.23 0.52 -2.24 -1.26 -5.02 114.28 100.98 1l5i n THR 82 Ca 0.16 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 1l5i n THR 82 Cb 0.12 0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.42 0.67 -0.74 -0.78 3.52 -1.05 -5.03 118.95 113.12 1l5i s ARG 83 Ca -0.02 -0.54 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 1l5i s ARG 83 Cb 0.04 -0.60 -0.15 0.00 -1.56 0.00 0.00 34.95 32.68 1l5i s ARG 83 CO 0.26 0.15 2.91 0.45 -0.81 0.00 0.00 175.30 178.26 1l5i n SER 84 N 2.22 6.08 -4.07 -2.12 2.88 -1.26 -3.84 113.62 113.50 1l5i n SER 84 Ca -0.17 -2.42 -0.23 0.00 -1.33 0.00 0.00 58.87 54.72 1l5i n SER 84 Cb 0.56 -1.31 -0.16 0.00 -0.75 0.00 0.00 64.21 62.55 1l5i n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l5i s ALA 85 N 1.98 1.16 0.02 -1.46 0.00 -1.26 -5.04 121.76 117.17 1l5i s ALA 85 Ca 0.59 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 1l5i s ALA 85 Cb 0.21 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1l5i s ALA 85 CO -0.03 0.22 0.15 -1.01 0.00 0.00 0.00 175.76 175.09 1l5i s HIS 86 N 0.02 3.41 -0.07 0.00 3.76 -1.26 -1.01 115.29 120.14 1l5i s HIS 86 Ca -0.01 0.24 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 1l5i s HIS 86 Cb -0.09 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1l5i s HIS 86 CO 0.01 0.59 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.27 1l5i s PHE 87 N -1.35 1.74 -0.44 1.40 0.08 0.17 -4.96 117.98 114.61 1l5i s PHE 87 Ca 0.28 -0.62 -0.07 0.00 0.12 0.00 0.00 56.93 56.64 1l5i s PHE 87 Cb -0.12 -1.21 0.10 0.00 -0.57 0.00 0.00 43.02 41.22 1l5i s PHE 87 CO 0.20 -0.27 0.28 -1.58 -0.10 0.00 0.00 175.22 173.75 1l5i s HIS 88 N 0.42 3.44 0.65 0.36 5.65 -1.26 -2.17 115.29 122.39 1l5i s HIS 88 Ca -0.12 -1.94 -0.13 0.00 0.25 0.00 0.00 55.06 53.12 1l5i s HIS 88 Cb -0.15 -3.25 -0.01 0.00 -1.18 0.00 0.00 32.58 27.99 1l5i s HIS 88 CO 0.04 -0.95 1.06 -1.25 -0.65 0.00 0.00 174.74 172.99 1l5i s PRO 89 N 1.31 3.13 -0.13 2.88 0.04 -1.26 -4.94 135.00 136.02 1l5i s PRO 89 Ca 0.05 1.04 -0.22 0.00 0.04 0.00 0.00 61.00 61.91 1l5i s PRO 89 Cb -0.24 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1l5i s PRO 89 CO -0.01 -0.95 0.68 1.21 0.04 0.00 0.00 177.00 177.97 1l5i s ASN 90 N -3.40 6.85 -0.26 6.66 2.47 -0.32 -4.83 114.94 122.12 1l5i s ASN 90 Ca 0.60 1.03 -0.16 0.00 0.42 0.00 0.00 52.86 54.76 1l5i s ASN 90 Cb -0.14 -2.39 -0.03 0.00 -1.45 0.00 0.00 41.25 37.23 1l5i s ASN 90 CO 0.47 -0.21 0.41 -0.63 -3.72 0.00 0.00 177.10 173.42 1l5i s ILE 91 N 1.42 5.15 -0.03 -5.21 1.01 -1.26 -2.39 121.20 119.88 1l5i s ILE 91 Ca 0.34 0.66 0.01 0.00 0.00 0.00 0.00 60.65 61.66 1l5i s ILE 91 Cb -0.17 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1l5i s ILE 91 CO 0.14 0.14 -0.04 0.00 0.00 0.00 0.00 174.94 175.18 1l5i s GLN 92 N 2.11 0.60 -0.14 2.79 -2.07 -0.94 -5.00 119.66 117.01 1l5i s GLN 92 Ca 0.17 -0.09 -0.18 0.00 -1.82 0.00 0.00 55.36 53.44 1l5i s GLN 92 Cb -0.16 -0.64 -0.04 0.00 -1.09 0.00 0.00 33.01 31.08 1l5i s GLN 92 CO 0.10 -0.04 0.49 0.20 -1.32 0.00 0.00 175.29 174.72 1l5i s GLY 93 N 0.66 2.30 -0.34 2.60 0.00 -1.26 -0.83 107.32 110.44 1l5i s GLY 93 Ca -0.08 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.10 1l5i s GLY 93 CO -0.00 0.88 1.26 0.00 0.00 0.00 0.00 173.10 175.23 1l5i s ALA 94 N 0.95 3.31 -1.22 3.20 0.00 -0.98 -4.85 121.76 122.18 1l5i s ALA 94 Ca 0.26 -0.04 0.15 0.00 0.00 0.00 0.00 51.96 52.32 1l5i s ALA 94 Cb -0.15 -3.80 0.70 0.00 0.00 0.00 0.00 23.12 19.87 1l5i s ALA 94 CO 0.10 -1.88 1.44 0.36 0.00 0.00 0.00 175.76 175.79 1l5i n LYS 95 N 7.42 0.11 -3.14 0.00 2.85 -1.26 -4.61 118.16 119.53 1l5i n LYS 95 Ca 0.14 0.19 -0.20 0.00 -1.05 0.00 0.00 58.31 57.40 1l5i n LYS 95 Cb 0.47 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.39 1l5i n LYS 95 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1l5i s SER 96 N -2.78 5.19 0.10 -5.58 0.01 -1.26 -5.07 113.70 104.32 1l5i s SER 96 Ca 0.11 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1l5i s SER 96 Cb 0.10 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1l5i s SER 96 CO 0.25 -1.14 0.00 -1.54 0.41 0.00 0.00 173.24 171.22 1l5i n SER 97 N -2.07 0.38 0.07 2.44 3.41 -1.26 -4.82 113.62 111.77 1l5i n SER 97 Ca 0.12 0.17 -0.05 0.00 -0.26 0.00 0.00 58.87 58.84 1l5i n SER 97 Cb 0.61 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 1l5i n SER 97 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1l5i h SER 98 N 0.00 0.00 -0.66 4.04 0.02 -2.00 -3.21 113.55 111.73 1l5i h SER 98 Ca 0.00 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.14 1l5i h SER 98 Cb 0.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1l5i h SER 98 CO 0.00 0.90 0.85 -0.78 -1.14 0.00 0.00 176.83 176.65 1l5i h ASP 99 N 0.00 0.00 -0.45 3.07 3.58 -2.00 1.91 116.42 122.52 1l5i h ASP 99 Ca -0.02 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1l5i h ASP 99 Cb 1.70 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.73 1l5i h ASP 99 CO 0.11 0.00 -0.15 -0.37 -2.88 0.00 0.00 179.24 175.96 1l5i h VAL 100 N 0.00 1.27 -0.95 2.25 -1.51 -1.89 -2.58 116.25 112.85 1l5i h VAL 100 Ca 0.32 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1l5i h VAL 100 Cb 2.00 1.15 -0.05 0.00 -2.13 0.00 0.00 31.29 32.27 1l5i h VAL 100 CO -0.00 0.44 0.59 0.50 -1.23 0.00 0.00 177.57 177.87 1l5i h LYS 101 N 0.74 1.27 -0.40 5.19 3.11 0.28 0.29 116.57 127.05 1l5i h LYS 101 Ca 0.11 -0.10 0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1l5i h LYS 101 Cb 0.70 -0.27 -0.03 0.00 -1.00 0.00 0.00 32.23 31.63 1l5i h LYS 101 CO 0.05 0.87 0.20 0.77 -2.81 0.00 0.00 179.45 178.53 1l5i h SER 102 N 1.30 0.30 0.28 4.20 0.02 -1.19 -1.56 113.55 116.90 1l5i h SER 102 Ca 0.34 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.18 1l5i h SER 102 Cb -0.09 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1l5i h SER 102 CO -0.07 0.21 -0.53 0.22 -1.14 0.00 0.00 176.83 175.53 1l5i h TYR 103 N 0.41 0.33 0.00 3.45 5.03 -1.00 -2.70 116.97 122.49 1l5i h TYR 103 Ca 0.17 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1l5i h TYR 103 Cb 0.08 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 1l5i h TYR 103 CO -0.10 0.74 -0.03 0.82 -1.32 0.00 0.00 178.16 178.27 1l5i h ILE 104 N 0.21 0.95 0.00 1.81 2.04 0.36 0.22 117.51 123.10 1l5i h ILE 104 Ca 0.01 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1l5i h ILE 104 Cb 1.00 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1l5i h ILE 104 CO 0.08 0.03 -0.29 -0.78 0.00 0.00 0.00 178.15 177.20 1l5i h ASP 105 N 0.00 0.00 0.00 1.72 3.58 -0.97 -3.34 116.42 117.42 1l5i h ASP 105 Ca -0.00 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.82 1l5i h ASP 105 Cb 0.05 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.12 1l5i h ASP 105 CO 0.00 0.29 2.69 0.29 -2.88 0.00 0.00 179.24 179.63 1l5i n LYS 106 N -3.49 2.12 -1.28 0.28 4.01 0.76 -4.88 118.16 115.67 1l5i n LYS 106 Ca -0.00 -2.03 -0.16 0.00 -0.51 0.00 0.00 58.31 55.60 1l5i n LYS 106 Cb 0.45 -2.95 0.11 0.00 -0.51 0.00 0.00 35.03 32.12 1l5i n LYS 106 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1l5i n ASP 107 N 6.36 0.24 0.00 4.39 2.03 -1.26 -5.02 116.55 123.29 1l5i n ASP 107 Ca 0.52 -1.38 0.00 0.00 0.52 0.00 0.00 54.79 54.44 1l5i n ASP 107 Cb 0.35 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1l5i n ASP 107 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l5i n GLY 108 N -0.00 0.06 2.05 0.27 0.00 -1.26 -5.01 105.19 101.30 1l5i n GLY 108 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.17 -4.12 1.61 8.00 -1.26 -4.87 116.55 111.74 1l5i n ASP 109 Ca 0.00 0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 1l5i n ASP 109 Cb 0.00 -2.61 -0.10 0.00 -0.02 0.00 0.00 41.12 38.39 1l5i n ASP 109 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1l5i s VAL 110 N -2.43 0.11 -0.10 2.53 -7.23 -1.26 -4.23 120.40 107.78 1l5i s VAL 110 Ca 0.04 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1l5i s VAL 110 Cb -0.01 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1l5i s VAL 110 CO 0.28 -0.48 0.04 -0.22 -0.31 0.00 0.00 175.10 174.41 1l5i s LEU 111 N -3.03 3.78 -0.07 1.32 0.20 0.08 -5.01 118.68 115.94 1l5i s LEU 111 Ca 0.22 0.21 0.04 0.00 0.69 0.00 0.00 54.13 55.30 1l5i s LEU 111 Cb 0.07 -1.89 -0.00 0.00 -0.43 0.00 0.00 46.19 43.94 1l5i s LEU 111 CO 0.01 0.36 -0.21 -0.70 -0.29 0.00 0.00 176.35 175.52 1l5i s GLU 112 N -0.79 2.42 0.02 1.98 2.12 -1.26 -2.23 118.70 120.96 1l5i s GLU 112 Ca 0.12 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1l5i s GLU 112 Cb -0.12 -1.96 -0.02 0.00 0.26 0.00 0.00 34.13 32.30 1l5i s GLU 112 CO 0.03 0.23 -0.03 -0.46 -0.54 0.00 0.00 175.26 174.48 1l5i s TRP 113 N 0.17 0.29 0.18 5.30 -0.00 -0.99 -5.03 118.94 118.86 1l5i s TRP 113 Ca -0.10 -0.50 0.00 0.00 -0.00 0.00 0.00 56.10 55.50 1l5i s TRP 113 Cb -0.15 -0.20 0.00 0.00 -0.00 0.00 0.00 33.47 33.12 1l5i s TRP 113 CO 0.05 -0.17 0.00 0.41 -0.00 0.00 0.00 176.95 177.24 1l5i n GLY 114 N 1.66 -2.00 3.03 5.86 0.00 -1.26 -0.17 105.19 112.31 1l5i n GLY 114 Ca -0.23 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.57 1.74 0.43 2.61 2.01 -0.83 -4.71 115.64 115.31 1l5i s THR 115 Ca 0.00 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 1l5i s THR 115 Cb 0.00 -1.73 -0.11 0.00 0.01 0.00 0.00 72.50 70.68 1l5i s THR 115 CO 0.00 0.28 0.96 0.12 -0.69 0.00 0.00 174.62 175.29 1l5i s PHE 116 N 1.38 3.30 -0.11 4.92 2.19 -1.26 -4.18 117.98 124.22 1l5i s PHE 116 Ca 0.01 1.61 -0.06 0.00 0.33 0.00 0.00 56.93 58.82 1l5i s PHE 116 Cb -0.15 -2.87 0.05 0.00 -1.31 0.00 0.00 43.02 38.74 1l5i s PHE 116 CO -0.09 -0.15 0.26 1.14 1.83 0.00 0.00 175.22 178.21 1l5i s GLN 117 N -3.14 0.22 0.15 10.12 -2.07 -1.26 -5.05 119.66 118.64 1l5i s GLN 117 Ca 0.62 0.55 -0.30 0.00 -1.82 0.00 0.00 55.36 54.40 1l5i s GLN 117 Cb -0.10 -0.10 -0.07 0.00 -1.09 0.00 0.00 33.01 31.65 1l5i s GLN 117 CO 0.14 -0.16 0.98 0.42 -1.32 0.00 0.00 175.29 175.35 1l5i s ILE 118 N 1.23 4.32 -0.05 3.63 -1.09 -1.26 -4.97 121.20 123.01 1l5i s ILE 118 Ca -0.09 2.01 -0.20 0.00 -2.23 0.00 0.00 60.65 60.14 1l5i s ILE 118 Cb -0.10 -4.28 -0.15 0.00 -1.58 0.00 0.00 42.46 36.35 1l5i s ILE 118 CO -0.09 0.35 0.85 -0.78 -1.23 0.00 0.00 174.94 174.05 1l5i h ASP 119 N 5.20 -0.21 -0.99 3.58 3.58 -2.01 -3.46 116.42 122.11 1l5i h ASP 119 Ca -0.44 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 56.71 1l5i h ASP 119 Cb 1.21 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1l5i h ASP 119 CO 0.71 0.32 0.00 0.61 -2.88 0.00 0.00 179.24 178.00 1l5i n GLY 120 N 0.56 -0.37 0.00 -0.78 0.00 -1.26 -5.26 105.19 98.08 1l5i n GLY 120 Ca -0.08 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1l5i n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19