#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 3.99 3.03 0.23 0.00 -1.26 -5.07 105.19 106.12 1l5i n GLY 5 Ca 0.00 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.85 0.94 -0.67 1.61 6.06 -1.26 -5.09 118.95 117.69 1l5i s ARG 6 Ca 0.41 -0.36 -0.27 0.00 -2.50 0.00 0.00 55.73 53.01 1l5i s ARG 6 Cb 0.35 -0.89 0.02 0.00 0.06 0.00 0.00 34.95 34.50 1l5i s ARG 6 CO -0.09 0.18 1.33 0.12 -2.50 0.00 0.00 175.30 174.35 1l5i s PHE 7 N -0.07 2.30 -0.13 5.12 5.36 -1.26 -4.96 117.98 124.34 1l5i s PHE 7 Ca 0.01 0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 56.17 1l5i s PHE 7 Cb -0.06 -4.53 0.04 0.00 -0.34 0.00 0.00 43.02 38.13 1l5i s PHE 7 CO 0.00 -1.97 -0.01 0.45 -1.46 0.00 0.00 175.22 172.22 1l5i s SER 8 N 4.02 2.33 -0.08 6.13 0.15 -1.26 -4.09 113.70 120.89 1l5i s SER 8 Ca 0.42 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.62 1l5i s SER 8 Cb -0.09 -0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1l5i s SER 8 CO 0.19 -0.21 -0.11 -0.63 1.20 0.00 0.00 173.24 173.68 1l5i s ILE 9 N 1.83 3.33 -0.17 6.45 1.01 -1.12 -4.91 121.20 127.61 1l5i s ILE 9 Ca 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 1l5i s ILE 9 Cb -0.14 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1l5i s ILE 9 CO -0.07 0.57 0.03 -0.54 0.00 0.00 0.00 174.94 174.93 1l5i s LYS 10 N -0.39 0.61 0.16 2.79 1.02 -1.26 0.66 119.74 123.33 1l5i s LYS 10 Ca 0.05 -0.29 -0.24 0.00 0.02 0.00 0.00 55.97 55.51 1l5i s LYS 10 Cb -0.12 -1.86 0.06 0.00 -0.52 0.00 0.00 37.83 35.39 1l5i s LYS 10 CO 0.02 -0.57 0.73 0.00 -0.92 0.00 0.00 175.35 174.61 1l5i s ALA 11 N 1.90 -1.56 0.04 5.17 0.00 -0.96 -4.97 121.76 121.37 1l5i s ALA 11 Ca 0.01 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1l5i s ALA 11 Cb -0.16 0.76 -0.27 0.00 0.00 0.00 0.00 23.12 23.45 1l5i s ALA 11 CO -0.07 -0.85 1.00 -0.22 0.00 0.00 0.00 175.76 175.62 1l5i h LYS 12 N 2.00 0.23 -6.45 0.00 3.64 -1.85 0.64 116.57 114.78 1l5i h LYS 12 Ca -0.27 -0.39 -0.68 0.00 -1.27 0.00 0.00 60.65 58.04 1l5i h LYS 12 Cb 1.27 0.14 -0.20 0.00 -0.41 0.00 0.00 32.23 33.04 1l5i h LYS 12 CO 0.32 1.12 -0.76 -0.80 -2.27 0.00 0.00 179.45 177.06 1l5i s ASN 13 N -6.99 4.14 0.02 4.20 0.01 -1.25 -1.34 114.94 113.74 1l5i s ASN 13 Ca -0.06 -0.31 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 1l5i s ASN 13 Cb 0.07 -0.81 -0.01 0.00 0.41 0.00 0.00 41.25 40.91 1l5i s ASN 13 CO 0.86 0.27 -0.10 -0.31 -1.51 0.00 0.00 177.10 176.31 1l5i s TYR 14 N -0.95 0.88 -0.18 2.20 2.02 -0.42 -0.63 117.35 120.27 1l5i s TYR 14 Ca 0.16 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1l5i s TYR 14 Cb -0.11 -0.54 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 1l5i s TYR 14 CO 0.06 -0.01 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.79 1l5i s PHE 15 N -0.60 2.70 -0.14 2.71 0.08 0.86 -1.99 117.98 121.60 1l5i s PHE 15 Ca 0.00 -1.61 -0.06 0.00 0.12 0.00 0.00 56.93 55.39 1l5i s PHE 15 Cb -0.06 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1l5i s PHE 15 CO 0.00 -0.79 0.05 -0.51 -0.10 0.00 0.00 175.22 173.87 1l5i s LEU 16 N 1.31 3.79 -0.03 -0.37 2.01 -0.76 -1.72 118.68 122.91 1l5i s LEU 16 Ca 0.04 0.14 0.06 0.00 0.01 0.00 0.00 54.13 54.38 1l5i s LEU 16 Cb -0.13 -1.92 -0.01 0.00 0.01 0.00 0.00 46.19 44.13 1l5i s LEU 16 CO -0.12 0.27 -0.21 -0.89 1.01 0.00 0.00 176.35 176.40 1l5i s THR 17 N -0.19 1.73 -0.31 5.49 2.01 -1.00 -1.35 115.64 122.01 1l5i s THR 17 Ca 0.07 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1l5i s THR 17 Cb -0.12 -1.45 0.09 0.00 0.01 0.00 0.00 72.50 71.03 1l5i s THR 17 CO 0.01 0.49 0.04 -0.31 -0.69 0.00 0.00 174.62 174.16 1l5i s TYR 18 N -0.29 3.08 0.21 4.92 1.51 -0.84 -0.92 117.35 125.02 1l5i s TYR 18 Ca 0.03 -2.51 -0.30 0.00 -1.01 0.00 0.00 57.07 53.28 1l5i s TYR 18 Cb -0.10 -2.41 -0.08 0.00 -0.11 0.00 0.00 41.96 39.26 1l5i s TYR 18 CO 0.01 -0.91 1.11 -1.25 -1.11 0.00 0.00 175.55 173.40 1l5i s PRO 19 N 1.14 4.60 -1.60 -1.71 0.04 -1.26 -2.45 135.00 133.76 1l5i s PRO 19 Ca 0.07 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 1l5i s PRO 19 Cb -0.19 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.17 1l5i s PRO 19 CO -0.12 0.10 0.16 1.17 0.04 0.00 0.00 177.00 178.35 1l5i n LYS 20 N 2.06 -0.88 -3.94 4.56 4.81 -0.67 -4.88 118.16 119.21 1l5i n LYS 20 Ca 0.02 0.10 -0.35 0.00 -0.87 0.00 0.00 58.31 57.20 1l5i n LYS 20 Cb 0.46 -3.79 -0.12 0.00 0.02 0.00 0.00 35.03 31.59 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 4.42 1.98 -4.74 0.00 9.92 -1.26 -4.40 116.55 122.47 1l5i n ASP 22 Ca -0.17 -2.15 -0.41 0.00 -0.53 0.00 0.00 54.79 51.53 1l5i n ASP 22 Cb 0.52 -0.36 -0.03 0.00 -0.64 0.00 0.00 41.12 40.61 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 -0.98 4.44 0.55 0.64 2.96 -1.26 -5.02 118.68 120.00 1l5i s LEU 23 Ca 0.18 2.34 -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 43.19 1l5i s LEU 23 CO 0.09 -0.44 0.85 0.42 -1.32 0.00 0.00 176.35 175.95 1l5i s THR 24 N -0.08 4.11 0.29 3.68 -4.23 -1.26 -4.92 115.64 113.23 1l5i s THR 24 Ca 0.54 0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.23 1l5i s THR 24 Cb -0.35 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 69.94 1l5i s THR 24 CO 0.38 -0.60 1.71 0.07 -0.54 0.00 0.00 174.62 175.65 1l5i h LYS 25 N -0.01 0.00 -0.16 3.99 -0.00 -1.95 -0.87 116.57 117.56 1l5i h LYS 25 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.17 1l5i h LYS 25 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.46 1l5i h LYS 25 CO 0.61 0.49 0.00 1.49 -0.00 0.00 0.00 179.45 182.04 1l5i h GLU 26 N 0.00 0.29 -0.35 0.07 4.22 -1.97 1.24 114.58 118.08 1l5i h GLU 26 Ca -0.00 -0.09 -0.07 0.00 0.08 0.00 0.00 59.36 59.27 1l5i h GLU 26 Cb 0.91 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1l5i h GLU 26 CO 0.06 0.50 -0.07 -0.91 -2.18 0.00 0.00 179.01 176.41 1l5i h ASN 27 N 0.04 0.67 -0.28 1.04 -0.26 -1.93 0.45 115.58 115.31 1l5i h ASN 27 Ca 0.05 -0.36 -0.10 0.00 -0.56 0.00 0.00 56.30 55.32 1l5i h ASN 27 Cb 0.37 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1l5i h ASN 27 CO 0.01 0.87 -0.19 0.00 -1.06 0.00 0.00 177.43 177.06 1l5i h ALA 28 N 0.82 0.95 -0.28 -0.83 0.00 -1.08 0.18 119.26 119.02 1l5i h ALA 28 Ca 0.09 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1l5i h ALA 28 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1l5i h ALA 28 CO 0.03 0.61 -0.19 1.25 0.00 0.00 0.00 179.25 180.95 1l5i h LEU 29 N 0.65 0.64 -0.37 0.00 7.12 0.18 0.61 115.31 124.14 1l5i h LEU 29 Ca 0.10 -0.44 -0.03 0.00 0.13 0.00 0.00 57.88 57.64 1l5i h LEU 29 Cb 0.67 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 1l5i h LEU 29 CO 0.05 0.94 0.13 0.28 -0.13 0.00 0.00 178.44 179.71 1l5i h SER 30 N 0.35 0.53 -0.14 1.25 0.02 0.12 0.77 113.55 116.44 1l5i h SER 30 Ca 0.05 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1l5i h SER 30 Cb 0.73 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 1l5i h SER 30 CO 0.05 0.58 -0.07 1.56 -1.14 0.00 0.00 176.83 177.82 1l5i h GLN 31 N 0.45 0.29 -0.45 3.45 4.20 -0.59 -0.33 115.11 122.13 1l5i h GLN 31 Ca 0.12 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1l5i h GLN 31 Cb 0.23 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1l5i h GLN 31 CO -0.01 0.62 0.24 0.82 -0.67 0.00 0.00 178.83 179.84 1l5i h ILE 32 N -0.05 1.17 -0.20 2.54 1.08 0.34 0.52 117.51 122.91 1l5i h ILE 32 Ca 0.03 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 64.04 1l5i h ILE 32 Cb 0.53 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1l5i h ILE 32 CO 0.02 0.18 0.01 0.74 -0.69 0.00 0.00 178.15 178.40 1l5i h THR 33 N 0.59 1.12 -0.00 -0.27 2.02 0.62 0.61 112.91 117.60 1l5i h THR 33 Ca 0.16 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1l5i h THR 33 Cb 0.07 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1l5i h THR 33 CO -0.02 0.16 -0.31 0.59 0.37 0.00 0.00 175.52 176.31 1l5i n ASN 34 N -4.38 0.53 -4.65 4.18 5.03 -0.14 -4.81 115.26 111.02 1l5i n ASN 34 Ca -0.00 -0.32 -0.43 0.00 0.87 0.00 0.00 54.58 54.70 1l5i n ASN 34 Cb 0.18 0.06 -0.02 0.00 -1.02 0.00 0.00 39.78 38.97 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 -2.81 4.06 0.61 3.41 1.02 0.17 -5.00 118.68 120.14 1l5i s LEU 35 Ca 0.17 1.58 -0.10 0.00 0.02 0.00 0.00 54.13 55.80 1l5i s LEU 35 Cb 0.18 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.82 1l5i s LEU 35 CO 0.60 -0.95 1.00 -1.10 0.02 0.00 0.00 176.35 175.92 1l5i s GLN 36 N 3.92 3.51 0.06 1.70 -0.21 -1.26 -4.97 119.66 122.42 1l5i s GLN 36 Ca 0.59 0.63 -0.12 0.00 0.02 0.00 0.00 55.36 56.48 1l5i s GLN 36 Cb -0.22 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.68 1l5i s GLN 36 CO 0.21 -0.56 0.26 -0.08 -2.12 0.00 0.00 175.29 173.00 1l5i s THR 37 N -3.13 0.10 -1.82 -0.19 -1.32 -1.26 -5.02 115.64 103.01 1l5i s THR 37 Ca 0.54 -0.85 0.24 0.00 -1.21 0.00 0.00 61.69 60.41 1l5i s THR 37 Cb -0.11 -1.07 0.59 0.00 -1.51 0.00 0.00 72.50 70.41 1l5i s THR 37 CO 0.52 -0.47 1.78 -0.81 -2.21 0.00 0.00 174.62 173.43 1l5i n PRO 38 N 0.34 0.61 0.00 7.08 -0.04 -1.26 -4.58 135.00 137.15 1l5i n PRO 38 Ca -0.17 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1l5i n PRO 38 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.09 0.00 -3.63 0.52 5.66 -1.26 -5.09 114.28 109.39 1l5i n THR 39 Ca 0.16 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.09 1l5i n THR 39 Cb 0.11 0.00 -0.06 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 0.79 -0.28 -0.30 1.09 2.47 -1.26 -4.98 114.94 112.47 1l5i s ASN 40 Ca 0.00 0.45 -0.20 0.00 0.42 0.00 0.00 52.86 53.53 1l5i s ASN 40 Cb 0.00 0.43 -0.01 0.00 -1.45 0.00 0.00 41.25 40.22 1l5i s ASN 40 CO 0.00 -0.15 0.64 -0.54 -3.72 0.00 0.00 177.10 173.33 1l5i s LYS 41 N -0.30 3.92 -0.11 0.43 1.02 -1.26 -1.74 119.74 121.69 1l5i s LYS 41 Ca 0.04 0.33 -0.06 0.00 0.02 0.00 0.00 55.97 56.30 1l5i s LYS 41 Cb -0.03 -3.72 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 1l5i s LYS 41 CO -0.07 -0.57 -0.11 1.25 -0.92 0.00 0.00 175.35 174.93 1l5i h LEU 42 N 9.15 0.00 -8.32 3.17 5.85 -1.48 -3.47 115.31 120.22 1l5i h LEU 42 Ca -0.27 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.26 1l5i h LEU 42 Cb 1.12 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.99 1l5i h LEU 42 CO 0.80 0.61 -0.70 0.12 -0.34 0.00 0.00 178.44 178.93 1l5i s PHE 43 N -1.93 0.71 -0.04 1.25 5.36 -1.13 -1.78 117.98 120.43 1l5i s PHE 43 Ca -0.09 -0.90 0.01 0.00 -0.96 0.00 0.00 56.93 54.98 1l5i s PHE 43 Cb 0.01 -0.44 0.03 0.00 -0.34 0.00 0.00 43.02 42.28 1l5i s PHE 43 CO 0.14 -0.22 -0.01 0.42 -1.46 0.00 0.00 175.22 174.08 1l5i s ILE 44 N -3.36 0.29 -0.22 3.12 1.01 0.14 -2.29 121.20 119.89 1l5i s ILE 44 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1l5i s ILE 44 Cb 0.04 -0.36 0.06 0.00 0.01 0.00 0.00 42.46 42.20 1l5i s ILE 44 CO -0.06 0.17 -0.04 -0.75 0.00 0.00 0.00 174.94 174.26 1l5i s LYS 45 N 1.03 1.46 -0.23 2.79 2.36 0.14 -1.93 119.74 125.35 1l5i s LYS 45 Ca -0.10 -0.85 -0.01 0.00 -2.55 0.00 0.00 55.97 52.46 1l5i s LYS 45 Cb -0.14 -2.46 0.02 0.00 -1.05 0.00 0.00 37.83 34.21 1l5i s LYS 45 CO -0.01 -0.59 -0.09 0.42 1.55 0.00 0.00 175.35 176.63 1l5i s ILE 46 N 1.49 2.70 -0.05 5.43 1.01 -0.99 0.54 121.20 131.33 1l5i s ILE 46 Ca -0.04 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.63 1l5i s ILE 46 Cb -0.18 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1l5i s ILE 46 CO -0.07 0.28 -0.13 0.00 0.00 0.00 0.00 174.94 175.02 1l5i s ARG 48 N 0.38 3.65 -0.13 0.00 3.52 -1.26 0.20 118.95 125.30 1l5i s ARG 48 Ca -0.09 0.07 -0.09 0.00 -0.13 0.00 0.00 55.73 55.49 1l5i s ARG 48 Cb -0.13 -3.15 0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1l5i s ARG 48 CO 0.03 0.70 0.32 -2.00 -0.81 0.00 0.00 175.30 173.53 1l5i s GLU 49 N -1.34 0.33 -0.12 5.12 2.56 -0.12 -4.92 118.70 120.21 1l5i s GLU 49 Ca 0.23 0.56 -0.11 0.00 0.00 0.00 0.00 54.97 55.65 1l5i s GLU 49 Cb -0.14 0.04 -0.05 0.00 2.00 0.00 0.00 34.13 35.98 1l5i s GLU 49 CO 0.12 -0.11 0.25 -0.51 -0.56 0.00 0.00 175.26 174.44 1l5i s LEU 50 N 0.83 4.33 0.53 2.70 1.02 -1.26 -1.32 118.68 125.50 1l5i s LEU 50 Ca -0.05 0.56 -0.11 0.00 0.02 0.00 0.00 54.13 54.54 1l5i s LEU 50 Cb -0.06 -2.29 -0.05 0.00 0.02 0.00 0.00 46.19 43.80 1l5i s LEU 50 CO -0.06 0.25 0.92 -1.00 0.02 0.00 0.00 176.35 176.49 1l5i s HIS 51 N -0.34 3.54 -1.43 0.29 3.76 -0.60 -4.91 115.29 115.60 1l5i s HIS 51 Ca 0.16 1.19 0.12 0.00 -0.15 0.00 0.00 55.06 56.39 1l5i s HIS 51 Cb -0.13 -2.60 0.61 0.00 1.11 0.00 0.00 32.58 31.57 1l5i s HIS 51 CO 0.05 -0.42 1.29 -0.85 -0.85 0.00 0.00 174.74 173.97 1l5i n GLU 52 N -2.09 0.17 0.00 1.40 0.00 -1.26 -1.37 120.64 117.50 1l5i n GLU 52 Ca 0.04 0.17 0.16 0.00 0.00 0.00 0.00 57.16 57.53 1l5i n GLU 52 Cb 0.54 -1.50 0.88 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 -1.29 0.19 0.00 -1.84 4.13 -1.26 -4.85 115.26 110.35 1l5i n ASN 53 Ca 0.06 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.32 1l5i n ASN 53 Cb 0.10 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 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 1.04 0.85 3.77 7.41 0.00 -0.47 -5.01 105.19 112.78 1l5i n GLY 54 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.04 4.06 -0.09 1.61 -1.05 -1.25 -4.94 118.70 117.01 1l5i s GLU 55 Ca 0.00 0.13 -0.30 0.00 -0.15 0.00 0.00 54.97 54.65 1l5i s GLU 55 Cb 0.00 -3.35 -0.03 0.00 -0.44 0.00 0.00 34.13 30.32 1l5i s GLU 55 CO 0.00 0.42 1.23 -1.25 0.95 0.00 0.00 175.26 176.61 1l5i s PRO 56 N -0.08 4.31 0.21 -4.83 0.04 -1.26 -1.56 135.00 131.82 1l5i s PRO 56 Ca 0.18 1.69 0.11 0.00 0.04 0.00 0.00 61.00 63.02 1l5i s PRO 56 Cb -0.14 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.73 1l5i s PRO 56 CO 0.06 -0.54 -0.22 -1.58 0.04 0.00 0.00 177.00 174.76 1l5i s HIS 57 N 2.63 2.22 0.01 0.56 2.46 -0.44 0.34 115.29 123.08 1l5i s HIS 57 Ca 0.56 -0.37 0.02 0.00 0.47 0.00 0.00 55.06 55.74 1l5i s HIS 57 Cb -0.24 -1.07 -0.01 0.00 -0.13 0.00 0.00 32.58 31.13 1l5i s HIS 57 CO 0.20 0.52 -0.07 -1.17 -2.47 0.00 0.00 174.74 171.75 1l5i s LEU 58 N -2.85 2.09 0.13 8.88 0.20 -1.03 -0.94 118.68 125.16 1l5i s LEU 58 Ca 0.22 -0.25 0.09 0.00 0.69 0.00 0.00 54.13 54.88 1l5i s LEU 58 Cb -0.07 -0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.38 1l5i s LEU 58 CO 0.10 -0.01 -0.17 -1.00 -0.29 0.00 0.00 176.35 174.98 1l5i s HIS 59 N -0.54 2.54 -0.04 5.38 3.76 0.13 -1.98 115.29 124.54 1l5i s HIS 59 Ca -0.01 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 54.61 1l5i s HIS 59 Cb -0.05 -1.34 0.02 0.00 1.11 0.00 0.00 32.58 32.32 1l5i s HIS 59 CO 0.00 0.41 0.10 0.42 -0.85 0.00 0.00 174.74 174.82 1l5i s ILE 60 N -1.22 -0.02 -0.17 0.60 1.01 -0.46 -1.69 121.20 119.25 1l5i s ILE 60 Ca 0.19 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 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 0.11 0.02 0.07 -0.22 0.00 0.00 0.00 174.94 174.92 1l5i s LEU 61 N 0.38 0.61 0.12 2.97 1.98 0.19 -1.82 118.68 123.11 1l5i s LEU 61 Ca -0.03 -0.66 0.10 0.00 -2.89 0.00 0.00 54.13 50.66 1l5i s LEU 61 Cb -0.04 -0.36 -0.04 0.00 0.66 0.00 0.00 46.19 46.41 1l5i s LEU 61 CO -0.01 -0.33 -0.26 -0.63 -1.89 0.00 0.00 176.35 173.23 1l5i s ILE 62 N 2.05 2.14 -0.11 6.68 1.01 -0.84 0.26 121.20 132.39 1l5i s ILE 62 Ca 0.01 -1.71 -0.02 0.00 0.00 0.00 0.00 60.65 58.93 1l5i s ILE 62 Cb -0.16 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.44 1l5i s ILE 62 CO -0.08 0.06 0.02 0.00 0.00 0.00 0.00 174.94 174.93 1l5i s GLN 63 N -2.02 0.54 0.34 2.79 -2.07 -0.97 -1.30 119.66 116.97 1l5i s GLN 63 Ca 0.12 -0.01 -0.04 0.00 -1.82 0.00 0.00 55.36 53.60 1l5i s GLN 63 Cb -0.10 -1.28 -0.05 0.00 -1.09 0.00 0.00 33.01 30.50 1l5i s GLN 63 CO 0.06 -0.41 0.61 -0.06 -1.32 0.00 0.00 175.29 174.16 1l5i s PHE 64 N 1.97 3.49 0.40 9.60 0.08 -0.45 -1.20 117.98 131.87 1l5i s PHE 64 Ca 0.03 0.65 0.07 0.00 0.12 0.00 0.00 56.93 57.81 1l5i s PHE 64 Cb -0.14 -2.12 0.81 0.00 -0.57 0.00 0.00 43.02 41.00 1l5i s PHE 64 CO -0.06 0.07 2.00 1.49 -0.10 0.00 0.00 175.22 178.62 1l5i h GLU 65 N 1.25 0.46 -5.93 0.44 4.81 -1.65 -3.43 114.58 110.53 1l5i h GLU 65 Ca -0.48 -0.05 -0.52 0.00 -0.13 0.00 0.00 59.36 58.17 1l5i h GLU 65 Cb 1.20 -0.09 -0.17 0.00 0.63 0.00 0.00 28.75 30.32 1l5i h GLU 65 CO 0.64 0.39 -0.77 0.20 -0.73 0.00 0.00 179.01 178.74 1l5i s GLY 66 N -3.80 1.46 -0.01 1.92 0.00 -1.26 -5.04 107.32 100.59 1l5i s GLY 66 Ca -0.08 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 42.78 1l5i s GLY 66 CO 0.74 -1.63 1.99 0.28 0.00 0.00 0.00 173.10 174.48 1l5i n LYS 67 N 0.09 2.67 -3.74 2.90 5.02 -1.26 -4.72 118.16 119.11 1l5i n LYS 67 Ca -0.11 0.96 -0.36 0.00 -2.02 0.00 0.00 58.31 56.78 1l5i n LYS 67 Cb 0.58 -2.98 -0.06 0.00 -0.02 0.00 0.00 35.03 32.55 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 4.84 3.61 -0.39 2.13 5.04 0.22 -4.84 117.35 127.96 1l5i s TYR 68 Ca 0.91 0.64 -0.14 0.00 -2.44 0.00 0.00 57.07 56.04 1l5i s TYR 68 Cb -0.46 -2.03 0.01 0.00 0.35 0.00 0.00 41.96 39.83 1l5i s TYR 68 CO 0.43 0.65 0.28 1.21 -1.34 0.00 0.00 175.55 176.78 1l5i s ASN 69 N -1.39 6.05 -0.96 4.32 3.04 -1.26 -2.27 114.94 122.47 1l5i s ASN 69 Ca 0.23 -0.82 -0.01 0.00 0.04 0.00 0.00 52.86 52.30 1l5i s ASN 69 Cb -0.13 -2.14 0.29 0.00 -1.54 0.00 0.00 41.25 37.73 1l5i s ASN 69 CO 0.12 -0.40 1.29 0.00 -3.04 0.00 0.00 177.10 175.07 1l5i n THR 71 N 1.16 3.23 -3.23 0.00 5.66 -1.26 -2.79 114.28 117.05 1l5i n THR 71 Ca 0.27 -2.12 0.04 0.00 -3.05 0.00 0.00 64.05 59.19 1l5i n THR 71 Cb 0.35 -0.72 -0.02 0.00 -1.55 0.00 0.00 70.33 68.39 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 -1.31 -0.62 -0.02 1.09 2.47 -1.26 -4.73 114.94 110.57 1l5i s ASN 72 Ca 0.56 0.52 -0.06 0.00 0.42 0.00 0.00 52.86 54.30 1l5i s ASN 72 Cb 0.46 1.57 -0.26 0.00 -1.45 0.00 0.00 41.25 41.57 1l5i s ASN 72 CO 0.07 -0.12 3.56 0.00 -3.72 0.00 0.00 177.10 176.89 1l5i n GLN 73 N 5.29 1.98 -0.01 0.43 0.00 -1.26 -3.49 117.38 120.32 1l5i n GLN 73 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 57.00 55.94 1l5i n GLN 73 Cb 0.53 -2.00 -0.03 0.00 0.00 0.00 0.00 30.24 28.74 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 2.52 1.43 0.06 2.61 5.12 -1.26 -4.44 116.66 122.70 1l5i n ARG 74 Ca 0.42 -0.02 -0.18 0.00 -1.93 0.00 0.00 57.85 56.14 1l5i n ARG 74 Cb 0.89 -1.10 -0.09 0.00 -1.16 0.00 0.00 32.46 31.01 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 0.88 -0.28 -1.55 3.57 -1.99 -3.11 116.94 114.46 1l5i h PHE 75 Ca -0.04 -0.50 0.00 0.00 3.53 0.00 0.00 57.97 60.96 1l5i h PHE 75 Cb 0.60 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1l5i h PHE 75 CO 0.00 1.33 0.00 1.19 -2.23 0.00 0.00 178.31 178.60 1l5i n PHE 76 N -3.79 0.53 -1.90 0.41 3.72 -1.26 -4.85 117.46 110.32 1l5i n PHE 76 Ca -0.10 -0.23 -0.41 0.00 -0.05 0.00 0.00 57.45 56.66 1l5i n PHE 76 Cb 0.89 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 39.33 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 -0.80 5.55 -0.11 4.37 1.01 -1.18 -4.59 116.67 120.93 1l5i s ASP 77 Ca 0.21 1.18 -0.02 0.00 0.71 0.00 0.00 52.55 54.63 1l5i s ASP 77 Cb 0.12 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1l5i s ASP 77 CO 0.12 -2.00 -0.03 -0.76 0.21 0.00 0.00 175.17 172.71 1l5i s LEU 78 N 8.09 3.38 0.29 1.23 1.43 -0.98 -4.99 118.68 127.13 1l5i s LEU 78 Ca 0.82 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 54.01 1l5i s LEU 78 Cb -0.21 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 1l5i s LEU 78 CO 0.30 0.30 -0.07 0.68 0.23 0.00 0.00 176.35 177.80 1l5i s VAL 79 N -0.44 1.80 -0.25 -1.59 -7.23 -1.26 0.48 120.40 111.91 1l5i s VAL 79 Ca 0.07 -2.15 -0.24 0.00 -1.81 0.00 0.00 61.98 57.85 1l5i s VAL 79 Cb -0.12 -2.49 -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 -3.48 6.80 0.00 4.85 0.15 -0.02 -4.90 113.70 117.09 1l5i s SER 80 Ca 0.30 0.98 0.23 0.00 0.70 0.00 0.00 55.95 58.16 1l5i s SER 80 Cb 0.03 -2.43 1.24 0.00 -1.71 0.00 0.00 66.02 63.15 1l5i s SER 80 CO 0.13 -0.53 1.76 -0.81 1.20 0.00 0.00 173.24 174.99 1l5i n PRO 81 N 6.03 0.46 -0.01 5.44 -0.04 -1.26 -2.54 135.00 143.08 1l5i n PRO 81 Ca 0.05 0.05 0.04 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 32.37 1l5i n PRO 81 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1l5i n THR 82 N -1.19 0.02 -4.26 0.52 5.66 -1.26 -5.01 114.28 108.76 1l5i n THR 82 Ca 0.13 -0.19 -0.17 0.00 -3.05 0.00 0.00 64.05 60.77 1l5i n THR 82 Cb 0.15 0.27 -0.14 0.00 -1.55 0.00 0.00 70.33 69.06 1l5i n THR 82 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1l5i s ARG 83 N -2.55 0.69 -0.79 1.09 6.06 -1.05 -5.03 118.95 117.36 1l5i s ARG 83 Ca -0.03 -0.51 -0.07 0.00 -2.50 0.00 0.00 55.73 52.62 1l5i s ARG 83 Cb 0.05 -0.63 -0.14 0.00 0.06 0.00 0.00 34.95 34.29 1l5i s ARG 83 CO 0.34 0.16 2.84 0.45 -2.50 0.00 0.00 175.30 176.59 1l5i n SER 84 N 2.30 6.11 -4.11 -2.12 2.88 -1.26 -3.81 113.62 113.61 1l5i n SER 84 Ca -0.17 -2.41 -0.22 0.00 -1.33 0.00 0.00 58.87 54.75 1l5i n SER 84 Cb 0.56 -1.30 -0.15 0.00 -0.75 0.00 0.00 64.21 62.57 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 2.09 1.15 0.02 -1.46 0.00 -1.26 -5.04 121.76 117.26 1l5i s ALA 85 Ca 0.57 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1l5i s ALA 85 Cb 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1l5i s ALA 85 CO -0.03 0.27 0.01 -1.01 0.00 0.00 0.00 175.76 175.00 1l5i s HIS 86 N -0.43 3.07 -0.06 0.00 3.76 -1.26 -0.85 115.29 119.53 1l5i s HIS 86 Ca 0.05 0.06 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1l5i s HIS 86 Cb -0.06 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 31.99 1l5i s HIS 86 CO -0.00 0.47 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.14 1l5i s PHE 87 N -1.14 1.69 -0.38 1.40 0.08 0.18 -4.97 117.98 114.84 1l5i s PHE 87 Ca 0.21 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 1l5i s PHE 87 Cb -0.12 -1.17 0.10 0.00 -0.57 0.00 0.00 43.02 41.26 1l5i s PHE 87 CO 0.12 -0.23 0.14 -1.58 -0.10 0.00 0.00 175.22 173.57 1l5i s HIS 88 N 0.30 3.56 0.83 0.36 5.65 -1.26 -2.31 115.29 122.41 1l5i s HIS 88 Ca -0.09 -2.42 -0.12 0.00 0.25 0.00 0.00 55.06 52.68 1l5i s HIS 88 Cb -0.14 -2.96 0.09 0.00 -1.18 0.00 0.00 32.58 28.39 1l5i s HIS 88 CO 0.03 -0.94 1.11 -1.25 -0.65 0.00 0.00 174.74 173.05 1l5i s PRO 89 N 1.12 1.84 -0.19 2.88 0.04 -1.26 -4.94 135.00 134.48 1l5i s PRO 89 Ca 0.06 0.54 -0.23 0.00 0.04 0.00 0.00 61.00 61.42 1l5i s PRO 89 Cb -0.22 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1l5i s PRO 89 CO -0.04 -1.77 0.71 1.21 0.04 0.00 0.00 177.00 177.15 1l5i s ASN 90 N -3.94 6.79 -0.12 6.66 2.47 -0.10 -4.81 114.94 121.89 1l5i s ASN 90 Ca 0.62 0.97 -0.21 0.00 0.42 0.00 0.00 52.86 54.65 1l5i s ASN 90 Cb -0.14 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.23 1l5i s ASN 90 CO 0.54 -0.33 0.60 -0.63 -3.72 0.00 0.00 177.10 173.56 1l5i s ILE 91 N 2.04 5.09 -0.03 -5.21 1.01 -1.26 -2.38 121.20 120.46 1l5i s ILE 91 Ca 0.32 1.21 0.01 0.00 0.00 0.00 0.00 60.65 62.19 1l5i s ILE 91 Cb -0.16 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1l5i s ILE 91 CO 0.11 0.24 -0.04 -1.10 0.00 0.00 0.00 174.94 174.15 1l5i s GLN 92 N 1.01 0.62 -0.36 2.79 -1.52 -0.70 -4.98 119.66 116.52 1l5i s GLN 92 Ca 0.31 -0.11 -0.18 0.00 -1.95 0.00 0.00 55.36 53.43 1l5i s GLN 92 Cb -0.16 -0.65 0.00 0.00 -0.22 0.00 0.00 33.01 31.98 1l5i s GLN 92 CO 0.13 -0.02 0.53 0.20 -0.25 0.00 0.00 175.29 175.88 1l5i s GLY 93 N 0.60 1.81 -0.38 3.09 0.00 -1.26 -0.10 107.32 111.07 1l5i s GLY 93 Ca -0.07 -1.04 -0.24 0.00 0.00 0.00 0.00 44.72 43.37 1l5i s GLY 93 CO -0.00 1.31 0.84 0.00 0.00 0.00 0.00 173.10 175.25 1l5i s ALA 94 N 2.45 3.39 0.43 3.20 0.00 0.20 -4.99 121.76 126.43 1l5i s ALA 94 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1l5i s ALA 94 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1l5i s ALA 94 CO 0.14 -1.61 0.00 1.17 0.00 0.00 0.00 175.76 175.46 1l5i n LYS 95 N 6.63 2.74 -3.41 0.00 3.00 -1.26 -3.75 118.16 122.10 1l5i n LYS 95 Ca 0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.99 1l5i n LYS 95 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.45 1l5i n LYS 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1l5i s SER 96 N -1.84 6.83 0.00 3.14 0.15 -1.26 -4.78 113.70 115.95 1l5i s SER 96 Ca 0.00 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1l5i s SER 96 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1l5i s SER 96 CO 0.00 0.19 0.00 -1.54 1.20 0.00 0.00 173.24 173.09 1l5i n SER 97 N 1.19 0.00 -0.00 5.45 3.41 -1.26 -4.97 113.62 117.43 1l5i n SER 97 Ca -0.08 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.67 1l5i n SER 97 Cb 0.52 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.17 1l5i n SER 97 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1l5i n SER 98 N 0.00 0.01 -0.12 4.04 3.41 -1.26 -3.65 113.62 116.05 1l5i n SER 98 Ca 0.00 0.09 0.27 0.00 -0.26 0.00 0.00 58.87 58.97 1l5i n SER 98 Cb 0.00 -0.36 0.58 0.00 -0.26 0.00 0.00 64.21 64.17 1l5i n SER 98 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1l5i h ASP 99 N 0.01 0.00 -0.31 4.04 3.04 -2.00 1.79 116.42 122.99 1l5i h ASP 99 Ca 0.00 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.72 1l5i h ASP 99 Cb 0.37 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.65 1l5i h ASP 99 CO 0.00 0.00 -0.09 -0.37 -2.04 0.00 0.00 179.24 176.74 1l5i h VAL 100 N 0.00 1.28 -0.56 4.15 -1.51 -1.99 -1.70 116.25 115.93 1l5i h VAL 100 Ca 0.40 -1.15 0.03 0.00 -1.23 0.00 0.00 66.70 64.75 1l5i h VAL 100 Cb 2.26 1.39 -0.04 0.00 -2.13 0.00 0.00 31.29 32.78 1l5i h VAL 100 CO -0.00 0.37 0.33 0.50 -1.23 0.00 0.00 177.57 177.54 1l5i h LYS 101 N 0.38 0.63 -0.17 5.19 3.11 0.25 0.37 116.57 126.33 1l5i h LYS 101 Ca 0.08 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1l5i h LYS 101 Cb 0.59 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 1l5i h LYS 101 CO 0.03 0.42 0.02 0.77 -2.81 0.00 0.00 179.45 177.88 1l5i h SER 102 N 0.65 -0.02 -0.27 4.20 0.02 -1.29 0.36 113.55 117.20 1l5i h SER 102 Ca 0.23 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 1l5i h SER 102 Cb 0.05 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1l5i h SER 102 CO -0.11 0.02 0.02 0.22 -1.14 0.00 0.00 176.83 175.84 1l5i h TYR 103 N 0.09 0.58 -0.36 3.45 3.20 -0.72 -1.77 116.97 121.43 1l5i h TYR 103 Ca 0.08 -0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 1l5i h TYR 103 Cb 0.08 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1l5i h TYR 103 CO -0.14 0.55 -0.32 0.82 -1.64 0.00 0.00 178.16 177.42 1l5i h ILE 104 N 0.54 1.28 0.00 1.81 2.04 0.56 -2.33 117.51 121.41 1l5i h ILE 104 Ca 0.12 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 1l5i h ILE 104 Cb 0.31 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1l5i h ILE 104 CO 0.01 0.49 -0.17 0.44 0.00 0.00 0.00 178.15 178.92 1l5i h ASP 105 N 0.67 0.00 -0.11 1.72 5.19 0.31 -3.33 116.42 120.88 1l5i h ASP 105 Ca 0.07 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.83 1l5i h ASP 105 Cb 0.87 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 1l5i h ASP 105 CO 0.08 0.17 2.50 0.29 -3.12 0.00 0.00 179.24 179.16 1l5i n LYS 106 N -3.63 2.16 -2.08 3.56 5.02 -0.72 -4.91 118.16 117.56 1l5i n LYS 106 Ca -0.01 -2.30 -0.28 0.00 -2.02 0.00 0.00 58.31 53.69 1l5i n LYS 106 Cb 0.30 -3.18 0.16 0.00 -0.02 0.00 0.00 35.03 32.29 1l5i n LYS 106 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1l5i s ASP 107 N 4.38 3.49 0.00 4.39 2.15 -1.25 -5.00 116.67 124.83 1l5i s ASP 107 Ca 0.54 0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.67 1l5i s ASP 107 Cb 0.12 -0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 1l5i s ASP 107 CO 0.04 -2.48 0.00 0.61 -0.17 0.00 0.00 175.17 173.17 1l5i n GLY 108 N -3.52 1.23 3.02 2.66 0.00 -1.26 -4.93 105.19 102.38 1l5i n GLY 108 Ca 0.15 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.51 -4.58 1.61 9.92 -1.26 -5.00 116.55 111.73 1l5i n ASP 109 Ca 0.00 -0.34 -0.24 0.00 -0.53 0.00 0.00 54.79 53.68 1l5i n ASP 109 Cb 0.00 -4.23 -0.09 0.00 -0.64 0.00 0.00 41.12 36.16 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 -3.17 2.84 -0.24 2.53 0.11 -1.26 -4.78 120.40 116.44 1l5i s VAL 110 Ca 0.37 -2.10 -0.08 0.00 -2.93 0.00 0.00 61.98 57.25 1l5i s VAL 110 Cb -0.16 -2.65 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 1l5i s VAL 110 CO 0.46 -0.32 0.08 -0.22 -3.33 0.00 0.00 175.10 171.77 1l5i s LEU 111 N -3.63 3.57 -0.10 2.54 0.20 -0.86 -5.03 118.68 115.37 1l5i s LEU 111 Ca 0.32 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 55.02 1l5i s LEU 111 Cb -0.04 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1l5i s LEU 111 CO 0.18 0.00 -0.12 -1.61 -0.29 0.00 0.00 176.35 174.52 1l5i s GLU 112 N 1.40 3.03 0.00 1.98 2.02 -1.26 -2.34 118.70 123.53 1l5i s GLU 112 Ca 0.05 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 1l5i s GLU 112 Cb -0.15 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 1l5i s GLU 112 CO 0.04 0.41 0.02 -0.46 0.02 0.00 0.00 175.26 175.29 1l5i s TRP 113 N -0.17 0.08 0.08 1.61 -0.00 -0.81 -5.02 118.94 114.71 1l5i s TRP 113 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 56.10 55.94 1l5i s TRP 113 Cb -0.13 -0.07 0.00 0.00 -0.00 0.00 0.00 33.47 33.27 1l5i s TRP 113 CO 0.03 -0.11 0.00 0.41 -0.00 0.00 0.00 176.95 177.29 1l5i n GLY 114 N 2.37 -2.04 3.03 5.86 0.00 -1.26 0.27 105.19 113.43 1l5i n GLY 114 Ca -0.17 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.00 1.66 0.38 2.61 2.01 -0.73 -4.74 115.64 115.82 1l5i s THR 115 Ca 0.00 -0.75 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 1l5i s THR 115 Cb 0.00 -1.58 -0.10 0.00 0.01 0.00 0.00 72.50 70.83 1l5i s THR 115 CO 0.00 0.42 0.95 0.12 -0.69 0.00 0.00 174.62 175.42 1l5i s PHE 116 N 1.44 3.49 -0.14 4.92 2.19 -1.26 -4.13 117.98 124.49 1l5i s PHE 116 Ca 0.04 1.69 -0.12 0.00 0.33 0.00 0.00 56.93 58.88 1l5i s PHE 116 Cb -0.13 -2.89 0.04 0.00 -1.31 0.00 0.00 43.02 38.72 1l5i s PHE 116 CO -0.11 0.02 0.37 1.14 1.83 0.00 0.00 175.22 178.48 1l5i s GLN 117 N -2.62 0.41 -0.15 10.12 -2.07 -1.26 -5.05 119.66 119.04 1l5i s GLN 117 Ca 0.56 0.56 -0.18 0.00 -1.82 0.00 0.00 55.36 54.48 1l5i s GLN 117 Cb -0.14 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 31.89 1l5i s GLN 117 CO 0.19 -0.08 0.49 0.42 -1.32 0.00 0.00 175.29 174.99 1l5i s ILE 118 N 0.46 5.17 -0.60 3.63 1.01 -1.26 -5.02 121.20 124.59 1l5i s ILE 118 Ca -0.02 0.94 -0.25 0.00 0.00 0.00 0.00 60.65 61.32 1l5i s ILE 118 Cb -0.04 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.65 1l5i s ILE 118 CO -0.02 0.28 1.05 -1.81 0.00 0.00 0.00 174.94 174.43 1l5i s ASP 119 N 0.79 6.31 0.00 3.58 1.11 -1.26 -4.82 116.67 122.38 1l5i s ASP 119 Ca 0.25 -0.37 0.00 0.00 0.18 0.00 0.00 52.55 52.61 1l5i s ASP 119 Cb -0.15 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1l5i s ASP 119 CO 0.10 -1.41 0.00 0.61 1.18 0.00 0.00 175.17 175.65 1l5i n GLY 120 N 5.18 -0.07 0.00 0.21 0.00 -1.26 -5.16 105.19 104.08 1l5i n GLY 120 Ca 0.02 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1l5i n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19