#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 -1.22 3.19 0.23 0.00 -1.26 -4.93 105.19 101.20 1l5i n GLY 5 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.26 0.89 -0.66 1.61 0.52 -1.26 -5.10 118.95 112.69 1l5i s ARG 6 Ca 0.00 -1.16 -0.27 0.00 -0.52 0.00 0.00 55.73 53.77 1l5i s ARG 6 Cb 0.00 -0.65 0.02 0.00 0.52 0.00 0.00 34.95 34.85 1l5i s ARG 6 CO 0.00 0.11 1.32 0.12 0.02 0.00 0.00 175.30 176.87 1l5i s PHE 7 N -2.27 2.33 -0.16 -0.53 5.36 -1.26 -4.96 117.98 116.48 1l5i s PHE 7 Ca 0.06 0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 56.22 1l5i s PHE 7 Cb -0.04 -4.53 0.05 0.00 -0.34 0.00 0.00 43.02 38.16 1l5i s PHE 7 CO 0.01 -1.95 -0.00 0.45 -1.46 0.00 0.00 175.22 172.27 1l5i s SER 8 N 3.93 2.65 -0.13 6.13 0.15 -1.26 -4.14 113.70 121.03 1l5i s SER 8 Ca 0.42 -0.64 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 1l5i s SER 8 Cb -0.09 -0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 63.51 1l5i s SER 8 CO 0.20 -0.24 -0.03 -0.63 1.20 0.00 0.00 173.24 173.74 1l5i s ILE 9 N 1.79 4.00 -0.18 6.45 1.01 -1.14 -4.91 121.20 128.23 1l5i s ILE 9 Ca 0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1l5i s ILE 9 Cb -0.16 -2.72 0.06 0.00 0.01 0.00 0.00 42.46 39.65 1l5i s ILE 9 CO -0.07 0.53 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 0.75 119.74 123.70 1l5i s LYS 10 Ca 0.03 -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 0.07 0.00 -0.52 0.00 0.00 37.83 35.28 1l5i s LYS 10 CO 0.02 -0.60 0.73 0.00 -0.92 0.00 0.00 175.35 174.58 1l5i s ALA 11 N 1.89 -1.58 -0.08 5.17 0.00 -0.77 -4.95 121.76 121.44 1l5i s ALA 11 Ca -0.00 0.40 0.14 0.00 0.00 0.00 0.00 51.96 52.49 1l5i s ALA 11 Cb -0.16 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.62 1l5i s ALA 11 CO -0.08 -0.84 1.13 1.57 0.00 0.00 0.00 175.76 177.54 1l5i h LYS 12 N 2.00 0.00 -6.60 0.00 2.10 -1.83 0.16 116.57 112.41 1l5i h LYS 12 Ca -0.27 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.68 1l5i h LYS 12 Cb 1.27 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.34 1l5i h LYS 12 CO 0.32 0.53 -0.85 -0.80 -2.00 0.00 0.00 179.45 176.65 1l5i s ASN 13 N -6.26 3.38 0.01 7.07 0.01 -1.25 -0.08 114.94 117.82 1l5i s ASN 13 Ca 0.00 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 51.74 1l5i s ASN 13 Cb 0.08 -0.45 -0.01 0.00 0.41 0.00 0.00 41.25 41.28 1l5i s ASN 13 CO 0.79 0.29 -0.11 -0.31 -1.51 0.00 0.00 177.10 176.25 1l5i s TYR 14 N -0.74 0.99 -0.15 2.20 2.02 -0.53 -0.69 117.35 120.45 1l5i s TYR 14 Ca 0.12 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1l5i s TYR 14 Cb -0.10 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1l5i s TYR 14 CO 0.01 -0.01 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.71 1l5i s PHE 15 N -0.51 2.68 -0.15 2.71 0.40 0.44 -1.85 117.98 121.70 1l5i s PHE 15 Ca 0.02 -1.42 -0.06 0.00 -0.60 0.00 0.00 56.93 54.87 1l5i s PHE 15 Cb -0.06 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1l5i s PHE 15 CO 0.00 -0.66 0.04 -0.51 0.70 0.00 0.00 175.22 174.79 1l5i s LEU 16 N 0.95 3.72 -0.13 -0.37 2.01 -0.78 -1.74 118.68 122.35 1l5i s LEU 16 Ca -0.04 0.09 0.01 0.00 0.01 0.00 0.00 54.13 54.21 1l5i s LEU 16 Cb -0.15 -1.91 0.02 0.00 0.01 0.00 0.00 46.19 44.16 1l5i s LEU 16 CO -0.05 0.24 -0.14 -0.89 1.01 0.00 0.00 176.35 176.52 1l5i s THR 17 N -0.02 1.51 -0.43 5.49 2.01 -1.00 -1.51 115.64 121.68 1l5i s THR 17 Ca 0.05 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1l5i s THR 17 Cb -0.12 -1.40 0.09 0.00 0.01 0.00 0.00 72.50 71.08 1l5i s THR 17 CO 0.01 0.45 0.26 -0.31 -0.69 0.00 0.00 174.62 174.34 1l5i s TYR 18 N 1.29 3.40 0.12 4.92 1.51 -0.82 -1.47 117.35 126.31 1l5i s TYR 18 Ca 0.00 -1.80 -0.30 0.00 -1.01 0.00 0.00 57.07 53.96 1l5i s TYR 18 Cb -0.14 -3.13 -0.07 0.00 -0.11 0.00 0.00 41.96 38.52 1l5i s TYR 18 CO -0.07 -0.91 1.14 -1.25 -1.11 0.00 0.00 175.55 173.35 1l5i s PRO 19 N 1.35 4.52 -1.47 -1.71 0.04 -1.26 -2.36 135.00 134.10 1l5i s PRO 19 Ca 0.04 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 1l5i s PRO 19 Cb -0.24 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1l5i s PRO 19 CO 0.00 -0.08 0.10 1.17 0.04 0.00 0.00 177.00 178.23 1l5i n LYS 20 N 3.08 -0.83 -4.29 4.56 4.81 -0.22 -4.90 118.16 120.38 1l5i n LYS 20 Ca 0.05 0.08 -0.34 0.00 -0.87 0.00 0.00 58.31 57.24 1l5i n LYS 20 Cb 0.46 -3.34 -0.14 0.00 0.02 0.00 0.00 35.03 32.03 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 4.09 2.09 -4.74 0.00 -0.08 -1.26 -4.46 116.55 112.19 1l5i n ASP 22 Ca -0.18 -2.18 -0.41 0.00 -1.51 0.00 0.00 54.79 50.51 1l5i n ASP 22 Cb 0.52 -0.38 -0.03 0.00 2.34 0.00 0.00 41.12 43.56 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 4.44 0.58 -2.67 2.96 -1.26 -5.02 118.68 116.72 1l5i s LEU 23 Ca 0.19 2.38 -0.05 0.00 -0.22 0.00 0.00 54.13 56.42 1l5i s LEU 23 Cb 0.12 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.21 1l5i s LEU 23 CO 0.09 -0.46 0.88 0.42 -1.32 0.00 0.00 176.35 175.96 1l5i s THR 24 N -0.15 3.66 0.26 3.68 -4.23 -1.26 -4.95 115.64 112.65 1l5i s THR 24 Ca 0.54 -0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.13 1l5i s THR 24 Cb -0.35 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.08 1l5i s THR 24 CO 0.39 -0.44 1.68 0.07 -0.54 0.00 0.00 174.62 175.78 1l5i h LYS 25 N -0.13 0.00 -0.11 3.99 -0.00 -1.96 -1.32 116.57 117.04 1l5i h LYS 25 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.18 1l5i h LYS 25 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1l5i h LYS 25 CO 0.60 0.51 0.01 1.49 -0.00 0.00 0.00 179.45 182.07 1l5i h GLU 26 N 0.00 0.19 -0.31 0.07 4.81 -1.96 1.60 114.58 118.97 1l5i h GLU 26 Ca -0.01 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1l5i h GLU 26 Cb 0.97 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1l5i h GLU 26 CO 0.07 0.42 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.85 1l5i h ASN 27 N -0.06 0.55 -0.04 1.04 -0.26 -1.94 0.42 115.58 115.29 1l5i h ASN 27 Ca 0.03 -0.31 -0.10 0.00 -0.56 0.00 0.00 56.30 55.35 1l5i h ASN 27 Cb 0.32 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1l5i h ASN 27 CO 0.00 0.73 -0.29 0.00 -1.06 0.00 0.00 177.43 176.82 1l5i h ALA 28 N 0.84 1.05 -0.30 -0.83 0.00 -1.17 0.33 119.26 119.18 1l5i h ALA 28 Ca 0.09 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1l5i h ALA 28 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1l5i h ALA 28 CO 0.02 0.58 -0.21 1.25 0.00 0.00 0.00 179.25 180.88 1l5i h LEU 29 N 0.43 0.70 -0.22 0.00 7.12 0.26 0.71 115.31 124.31 1l5i h LEU 29 Ca 0.06 -0.44 -0.05 0.00 0.13 0.00 0.00 57.88 57.57 1l5i h LEU 29 Cb 0.72 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 1l5i h LEU 29 CO 0.06 0.99 -0.08 -1.28 -0.13 0.00 0.00 178.44 178.00 1l5i h SER 30 N 0.41 0.44 -0.19 1.25 0.87 0.08 0.68 113.55 117.11 1l5i h SER 30 Ca 0.06 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 1l5i h SER 30 Cb 0.76 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1l5i h SER 30 CO 0.06 0.73 -0.02 1.56 -0.53 0.00 0.00 176.83 178.63 1l5i h GLN 31 N 0.16 0.34 -0.29 2.24 4.20 -0.31 0.45 115.11 121.90 1l5i h GLN 31 Ca 0.05 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1l5i h GLN 31 Cb 0.55 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1l5i h GLN 31 CO 0.03 0.57 0.07 0.82 -0.67 0.00 0.00 178.83 179.65 1l5i h ILE 32 N 0.08 1.22 -0.75 2.54 1.08 0.45 0.45 117.51 122.57 1l5i h ILE 32 Ca 0.05 -0.73 -0.05 0.00 -0.39 0.00 0.00 64.86 63.75 1l5i h ILE 32 Cb 0.43 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1l5i h ILE 32 CO 0.01 0.24 0.29 0.74 -0.69 0.00 0.00 178.15 178.74 1l5i h THR 33 N 0.30 1.25 0.00 -0.27 2.02 0.45 -0.64 112.91 116.02 1l5i h THR 33 Ca 0.09 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1l5i h THR 33 Cb 0.29 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1l5i h THR 33 CO 0.00 0.33 0.00 0.59 0.37 0.00 0.00 175.52 176.81 1l5i n ASN 34 N -4.28 0.00 -4.65 4.18 5.03 0.16 -4.74 115.26 110.96 1l5i n ASN 34 Ca 0.07 0.39 -0.43 0.00 0.87 0.00 0.00 54.58 55.48 1l5i n ASN 34 Cb 0.19 -0.46 -0.02 0.00 -1.02 0.00 0.00 39.78 38.46 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 -2.93 4.07 0.65 3.41 1.02 0.15 -5.00 118.68 120.05 1l5i s LEU 35 Ca 0.16 1.56 -0.11 0.00 0.02 0.00 0.00 54.13 55.76 1l5i s LEU 35 Cb 0.19 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.84 1l5i s LEU 35 CO 0.51 -0.92 1.05 -1.58 0.02 0.00 0.00 176.35 175.43 1l5i s GLN 36 N 3.85 3.32 0.04 1.70 2.00 -1.26 -4.96 119.66 124.35 1l5i s GLN 36 Ca 0.58 0.71 -0.11 0.00 -2.00 0.00 0.00 55.36 54.54 1l5i s GLN 36 Cb -0.21 -2.05 0.01 0.00 0.80 0.00 0.00 33.01 31.56 1l5i s GLN 36 CO 0.19 -0.77 0.23 -0.08 -0.50 0.00 0.00 175.29 174.37 1l5i s THR 37 N -3.20 0.10 -1.63 -0.34 -1.32 -1.26 -5.02 115.64 102.98 1l5i s THR 37 Ca 0.56 -0.83 0.23 0.00 -1.21 0.00 0.00 61.69 60.45 1l5i s THR 37 Cb -0.11 -0.93 0.50 0.00 -1.51 0.00 0.00 72.50 70.44 1l5i s THR 37 CO 0.54 -0.46 1.76 -0.81 -2.21 0.00 0.00 174.62 173.44 1l5i n PRO 38 N 0.63 0.47 0.00 7.08 -0.04 -1.26 -4.57 135.00 137.31 1l5i n PRO 38 Ca -0.19 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1l5i n PRO 38 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.19 0.00 -3.64 0.52 5.66 -1.26 -5.07 114.28 109.30 1l5i n THR 39 Ca 0.13 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.10 1l5i n THR 39 Cb 0.15 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.86 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 0.14 -0.47 -0.19 1.09 3.04 -1.26 -4.96 114.94 112.33 1l5i s ASN 40 Ca 0.00 0.78 -0.20 0.00 0.04 0.00 0.00 52.86 53.48 1l5i s ASN 40 Cb 0.00 1.10 -0.03 0.00 -1.54 0.00 0.00 41.25 40.78 1l5i s ASN 40 CO 0.00 -0.13 0.58 -0.54 -3.04 0.00 0.00 177.10 173.97 1l5i s LYS 41 N 1.06 4.22 0.00 0.43 1.02 -1.26 -2.42 119.74 122.79 1l5i s LYS 41 Ca -0.06 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1l5i s LYS 41 Cb -0.04 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1l5i s LYS 41 CO -0.13 -0.17 0.00 1.28 -0.92 0.00 0.00 175.35 175.41 1l5i n LEU 42 N 4.80 0.00 -4.86 3.17 4.32 -0.95 -4.99 117.00 118.49 1l5i n LEU 42 Ca -0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.67 1l5i n LEU 42 Cb 0.50 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.25 1l5i n LEU 42 CO 0.43 0.00 -0.19 0.12 -1.22 0.00 0.00 177.39 176.54 1l5i s PHE 43 N 0.00 3.34 -0.10 -1.77 5.36 -1.18 -3.24 117.98 120.39 1l5i s PHE 43 Ca 0.00 0.12 -0.03 0.00 -0.96 0.00 0.00 56.93 56.05 1l5i s PHE 43 Cb 0.00 -1.65 0.05 0.00 -0.34 0.00 0.00 43.02 41.08 1l5i s PHE 43 CO 0.00 0.54 0.10 0.42 -1.46 0.00 0.00 175.22 174.82 1l5i s ILE 44 N -1.58 -0.16 -0.15 3.12 1.01 0.15 -2.63 121.20 120.97 1l5i s ILE 44 Ca 0.32 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.18 1l5i s ILE 44 Cb -0.12 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 1l5i s ILE 44 CO 0.25 0.03 -0.10 -0.75 0.00 0.00 0.00 174.94 174.37 1l5i s LYS 45 N 2.20 3.43 -0.16 2.79 2.36 0.29 -1.83 119.74 128.83 1l5i s LYS 45 Ca 0.04 -0.65 -0.00 0.00 -2.55 0.00 0.00 55.97 52.81 1l5i s LYS 45 Cb -0.13 -2.74 0.04 0.00 -1.05 0.00 0.00 37.83 33.95 1l5i s LYS 45 CO -0.06 0.15 -0.06 0.42 1.55 0.00 0.00 175.35 177.35 1l5i s ILE 46 N 0.53 1.15 -0.04 5.43 1.01 -0.99 -0.02 121.20 128.26 1l5i s ILE 46 Ca -0.07 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1l5i s ILE 46 Cb -0.15 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.04 1l5i s ILE 46 CO 0.04 0.19 -0.15 0.00 0.00 0.00 0.00 174.94 175.01 1l5i s ARG 48 N 0.11 3.65 -0.04 0.00 3.52 -1.26 0.38 118.95 125.31 1l5i s ARG 48 Ca -0.04 0.03 -0.02 0.00 -0.13 0.00 0.00 55.73 55.57 1l5i s ARG 48 Cb -0.11 -3.09 0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1l5i s ARG 48 CO 0.02 0.65 0.08 -2.00 -0.81 0.00 0.00 175.30 173.24 1l5i s GLU 49 N -1.64 0.05 -0.13 5.12 2.56 -0.14 -4.90 118.70 119.62 1l5i s GLU 49 Ca 0.27 0.22 -0.11 0.00 0.00 0.00 0.00 54.97 55.35 1l5i s GLU 49 Cb -0.14 -0.13 -0.05 0.00 2.00 0.00 0.00 34.13 35.82 1l5i s GLU 49 CO 0.15 -0.11 0.22 -0.51 -0.56 0.00 0.00 175.26 174.45 1l5i s LEU 50 N 0.75 4.32 0.38 2.70 2.01 -1.26 -0.86 118.68 126.73 1l5i s LEU 50 Ca -0.06 0.51 -0.11 0.00 0.01 0.00 0.00 54.13 54.47 1l5i s LEU 50 Cb -0.08 -2.24 -0.07 0.00 0.01 0.00 0.00 46.19 43.81 1l5i s LEU 50 CO -0.03 0.26 0.75 -1.00 1.01 0.00 0.00 176.35 177.34 1l5i s HIS 51 N -0.31 3.45 -1.33 0.29 3.76 -0.51 -4.92 115.29 115.73 1l5i s HIS 51 Ca 0.15 1.06 0.20 0.00 -0.15 0.00 0.00 55.06 56.32 1l5i s HIS 51 Cb -0.13 -2.44 0.98 0.00 1.11 0.00 0.00 32.58 32.10 1l5i s HIS 51 CO 0.04 -0.05 1.64 -1.91 -0.85 0.00 0.00 174.74 173.61 1l5i n GLU 52 N -1.06 0.22 -0.00 1.40 2.13 -1.26 -1.87 120.64 120.20 1l5i n GLU 52 Ca 0.02 0.11 0.14 0.00 0.66 0.00 0.00 57.16 58.10 1l5i n GLU 52 Cb 0.54 -1.50 0.67 0.00 0.27 0.00 0.00 31.44 31.42 1l5i n GLU 52 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1l5i n ASN 53 N -1.34 0.93 0.00 4.31 5.15 -1.26 -4.87 115.26 118.19 1l5i n ASN 53 Ca 0.08 -1.33 0.00 0.00 -0.60 0.00 0.00 54.58 52.73 1l5i n ASN 53 Cb 0.18 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1l5i n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1l5i n GLY 54 N 1.10 0.75 3.69 8.20 0.00 -0.78 -5.02 105.19 113.13 1l5i n GLY 54 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.22 4.18 -0.09 1.61 -1.05 -1.25 -4.93 118.70 116.95 1l5i s GLU 55 Ca 0.00 0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.58 1l5i s GLU 55 Cb 0.00 -3.50 -0.03 0.00 -0.44 0.00 0.00 34.13 30.16 1l5i s GLU 55 CO 0.00 0.08 1.23 -1.25 0.95 0.00 0.00 175.26 176.27 1l5i s PRO 56 N 0.96 4.31 0.21 -4.83 0.04 -1.26 -1.42 135.00 133.01 1l5i s PRO 56 Ca 0.16 1.69 0.12 0.00 0.04 0.00 0.00 61.00 63.00 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 -0.53 -0.23 -1.58 0.04 0.00 0.00 177.00 174.75 1l5i s HIS 57 N 2.62 2.31 0.00 0.56 2.46 -0.04 0.78 115.29 123.99 1l5i s HIS 57 Ca 0.56 -0.35 0.02 0.00 0.47 0.00 0.00 55.06 55.76 1l5i s HIS 57 Cb -0.24 -1.11 -0.01 0.00 -0.13 0.00 0.00 32.58 31.09 1l5i s HIS 57 CO 0.20 0.55 -0.05 -1.17 -2.47 0.00 0.00 174.74 171.80 1l5i s LEU 58 N -2.86 2.05 0.06 8.88 0.20 -1.00 -0.96 118.68 125.06 1l5i s LEU 58 Ca 0.23 -0.17 0.08 0.00 0.69 0.00 0.00 54.13 54.95 1l5i s LEU 58 Cb -0.07 -0.23 -0.03 0.00 -0.43 0.00 0.00 46.19 45.42 1l5i s LEU 58 CO 0.11 0.01 -0.18 -1.00 -0.29 0.00 0.00 176.35 175.00 1l5i s HIS 59 N -0.34 2.55 -0.03 5.38 3.76 0.16 -1.94 115.29 124.83 1l5i s HIS 59 Ca -0.00 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1l5i s HIS 59 Cb -0.03 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.24 1l5i s HIS 59 CO -0.00 0.29 0.07 0.42 -0.85 0.00 0.00 174.74 174.67 1l5i s ILE 60 N -0.99 -0.00 -0.17 0.60 1.01 -0.57 -1.19 121.20 119.89 1l5i s ILE 60 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1l5i s ILE 60 Cb -0.10 -0.11 0.06 0.00 0.01 0.00 0.00 42.46 42.31 1l5i s ILE 60 CO 0.07 0.00 0.07 -0.22 0.00 0.00 0.00 174.94 174.86 1l5i s LEU 61 N 0.04 0.58 0.19 2.97 1.98 0.97 -1.86 118.68 123.55 1l5i s LEU 61 Ca -0.00 -0.64 0.11 0.00 -2.89 0.00 0.00 54.13 50.72 1l5i s LEU 61 Cb -0.01 -0.34 -0.04 0.00 0.66 0.00 0.00 46.19 46.46 1l5i s LEU 61 CO 0.00 -0.33 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.27 1l5i s ILE 62 N 2.06 2.41 0.01 6.68 1.01 -0.77 -0.54 121.20 132.05 1l5i s ILE 62 Ca 0.01 -2.01 0.03 0.00 0.00 0.00 0.00 60.65 58.68 1l5i s ILE 62 Cb -0.16 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1l5i s ILE 62 CO -0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 174.94 174.65 1l5i s GLN 63 N -2.68 0.70 0.22 2.79 1.03 -1.08 -1.45 119.66 119.19 1l5i s GLN 63 Ca 0.21 -0.42 0.11 0.00 0.04 0.00 0.00 55.36 55.29 1l5i s GLN 63 Cb -0.08 -0.66 -0.05 0.00 0.03 0.00 0.00 33.01 32.26 1l5i s GLN 63 CO 0.10 0.17 -0.18 -0.06 -2.54 0.00 0.00 175.29 172.78 1l5i s PHE 64 N -0.44 2.40 0.33 9.60 0.08 0.88 -2.23 117.98 128.60 1l5i s PHE 64 Ca 0.01 -0.31 0.06 0.00 0.12 0.00 0.00 56.93 56.81 1l5i s PHE 64 Cb -0.05 -1.14 0.57 0.00 -0.57 0.00 0.00 43.02 41.84 1l5i s PHE 64 CO 0.00 0.57 1.80 1.49 -0.10 0.00 0.00 175.22 178.98 1l5i h GLU 65 N 2.79 0.35 -6.12 0.44 4.22 -1.78 -3.44 114.58 111.05 1l5i h GLU 65 Ca -0.45 -0.11 -0.56 0.00 0.08 0.00 0.00 59.36 58.33 1l5i h GLU 65 Cb 1.22 -0.03 -0.19 0.00 0.50 0.00 0.00 28.75 30.25 1l5i h GLU 65 CO 0.53 0.55 -0.80 0.20 -2.18 0.00 0.00 179.01 177.32 1l5i s GLY 66 N -4.05 1.43 -0.18 1.92 0.00 -1.26 -5.04 107.32 100.14 1l5i s GLY 66 Ca -0.06 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 42.89 1l5i s GLY 66 CO 0.76 -1.51 2.16 0.28 0.00 0.00 0.00 173.10 174.80 1l5i n LYS 67 N 0.44 2.02 -3.23 2.90 5.02 -1.26 -4.65 118.16 119.40 1l5i n LYS 67 Ca -0.14 0.61 -0.37 0.00 -2.02 0.00 0.00 58.31 56.38 1l5i n LYS 67 Cb 0.56 -3.09 -0.06 0.00 -0.02 0.00 0.00 35.03 32.42 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 7.38 3.73 -0.39 2.13 5.04 0.55 -4.78 117.35 131.01 1l5i s TYR 68 Ca 1.00 1.28 -0.11 0.00 -2.44 0.00 0.00 57.07 56.79 1l5i s TYR 68 Cb -0.43 -2.52 0.03 0.00 0.35 0.00 0.00 41.96 39.40 1l5i s TYR 68 CO 0.39 0.49 0.23 1.21 -1.34 0.00 0.00 175.55 176.52 1l5i s ASN 69 N -1.39 5.78 -0.90 4.32 3.04 -1.26 -1.85 114.94 122.69 1l5i s ASN 69 Ca 0.35 -1.06 0.00 0.00 0.04 0.00 0.00 52.86 52.19 1l5i s ASN 69 Cb -0.18 -2.04 0.28 0.00 -1.54 0.00 0.00 41.25 37.77 1l5i s ASN 69 CO 0.20 -0.42 1.18 0.00 -3.04 0.00 0.00 177.10 175.02 1l5i n THR 71 N 1.15 2.96 -3.25 0.00 5.66 -1.26 -2.89 114.28 116.65 1l5i n THR 71 Ca 0.27 -1.81 0.04 0.00 -3.05 0.00 0.00 64.05 59.50 1l5i n THR 71 Cb 0.36 -0.70 -0.02 0.00 -1.55 0.00 0.00 70.33 68.42 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 -0.98 -0.76 -0.64 1.09 2.47 -1.26 -4.72 114.94 110.14 1l5i s ASN 72 Ca 0.49 0.65 -0.07 0.00 0.42 0.00 0.00 52.86 54.36 1l5i s ASN 72 Cb 0.41 1.71 -0.15 0.00 -1.45 0.00 0.00 41.25 41.76 1l5i s ASN 72 CO 0.07 -0.14 2.85 0.00 -3.72 0.00 0.00 177.10 176.16 1l5i n GLN 73 N 5.32 2.32 -0.00 0.43 0.00 -1.26 -3.47 117.38 120.72 1l5i n GLN 73 Ca -0.06 -1.34 0.00 0.00 0.00 0.00 0.00 57.00 55.60 1l5i n GLN 73 Cb 0.52 -2.27 -0.00 0.00 0.00 0.00 0.00 30.24 28.49 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 3.19 1.79 0.06 2.61 5.12 -1.26 -4.49 116.66 123.68 1l5i n ARG 74 Ca 0.49 -0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 56.21 1l5i n ARG 74 Cb 0.48 -1.01 -0.11 0.00 -1.16 0.00 0.00 32.46 30.67 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 0.99 -0.28 -1.55 3.57 -1.99 -3.12 116.94 114.57 1l5i h PHE 75 Ca -0.00 -0.57 0.00 0.00 3.53 0.00 0.00 57.97 60.93 1l5i h PHE 75 Cb 0.47 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.10 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 0.53 -1.92 0.41 3.72 -1.26 -4.85 117.46 110.27 1l5i n PHE 76 Ca -0.11 -0.23 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 1l5i n PHE 76 Cb 0.91 -0.08 -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 -0.78 5.61 -0.11 4.37 1.01 -1.18 -4.51 116.67 121.08 1l5i s ASP 77 Ca 0.20 1.21 -0.02 0.00 0.71 0.00 0.00 52.55 54.65 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 0.11 -1.95 -0.03 -0.76 0.21 0.00 0.00 175.17 172.75 1l5i s LEU 78 N 7.87 3.33 0.25 1.23 1.43 -0.98 -5.00 118.68 126.80 1l5i s LEU 78 Ca 0.82 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 1l5i s LEU 78 Cb -0.22 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1l5i s LEU 78 CO 0.31 0.29 -0.04 0.68 0.23 0.00 0.00 176.35 177.83 1l5i s VAL 79 N -0.39 1.35 -0.27 -1.59 -7.23 -1.26 0.27 120.40 111.28 1l5i s VAL 79 Ca 0.06 -2.08 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 1l5i s VAL 79 Cb -0.12 -2.36 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 1l5i s VAL 79 CO 0.02 -0.34 0.83 -0.55 -0.31 0.00 0.00 175.10 174.75 1l5i s SER 80 N -3.36 6.79 0.00 4.85 0.15 0.24 -4.90 113.70 117.46 1l5i s SER 80 Ca 0.28 0.92 0.22 0.00 0.70 0.00 0.00 55.95 58.08 1l5i s SER 80 Cb 0.04 -2.43 1.00 0.00 -1.71 0.00 0.00 66.02 62.92 1l5i s SER 80 CO 0.10 -0.57 1.71 -0.81 1.20 0.00 0.00 173.24 174.87 1l5i n PRO 81 N 6.12 0.11 -0.00 5.44 -0.04 -1.26 -2.65 135.00 142.72 1l5i n PRO 81 Ca 0.05 0.11 0.05 0.00 -0.04 0.00 0.00 63.50 63.67 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 -2.37 -0.04 0.00 0.00 175.50 173.09 1l5i n THR 82 N -1.42 0.00 -4.29 0.52 5.66 -1.26 -5.00 114.28 108.49 1l5i n THR 82 Ca 0.07 -0.23 -0.18 0.00 -3.05 0.00 0.00 64.05 60.66 1l5i n THR 82 Cb 0.23 0.40 -0.14 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.73 -0.80 1.09 3.52 -1.09 -5.03 118.95 114.82 1l5i s ARG 83 Ca -0.02 -0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 54.99 1l5i s ARG 83 Cb 0.06 -0.68 -0.15 0.00 -1.56 0.00 0.00 34.95 32.63 1l5i s ARG 83 CO 0.41 0.17 2.93 0.45 -0.81 0.00 0.00 175.30 178.45 1l5i n SER 84 N 2.34 6.30 -4.10 -2.12 2.88 -1.26 -3.76 113.62 113.90 1l5i n SER 84 Ca -0.16 -2.43 -0.24 0.00 -1.33 0.00 0.00 58.87 54.71 1l5i n SER 84 Cb 0.56 -1.34 -0.16 0.00 -0.75 0.00 0.00 64.21 62.52 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 1.99 1.28 -0.02 -1.46 0.00 -1.26 -5.03 121.76 117.25 1l5i s ALA 85 Ca 0.60 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1l5i s ALA 85 Cb 0.21 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1l5i s ALA 85 CO -0.03 0.25 -0.02 -1.01 0.00 0.00 0.00 175.76 174.95 1l5i s HIS 86 N -0.03 3.05 -0.05 0.00 3.76 -1.26 -0.59 115.29 120.16 1l5i s HIS 86 Ca -0.01 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.01 1l5i s HIS 86 Cb -0.09 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.91 1l5i s HIS 86 CO 0.01 0.44 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.11 1l5i s PHE 87 N -1.01 1.67 -0.39 1.40 0.08 0.14 -4.98 117.98 114.89 1l5i s PHE 87 Ca 0.17 -0.52 -0.02 0.00 0.12 0.00 0.00 56.93 56.68 1l5i s PHE 87 Cb -0.11 -1.14 0.10 0.00 -0.57 0.00 0.00 43.02 41.29 1l5i s PHE 87 CO 0.07 -0.20 0.16 -1.58 -0.10 0.00 0.00 175.22 173.58 1l5i s HIS 88 N 0.19 3.55 0.74 0.36 5.65 -1.26 -2.32 115.29 122.20 1l5i s HIS 88 Ca -0.07 -2.35 -0.11 0.00 0.25 0.00 0.00 55.06 52.78 1l5i s HIS 88 Cb -0.13 -3.03 0.03 0.00 -1.18 0.00 0.00 32.58 28.27 1l5i s HIS 88 CO 0.03 -0.94 1.07 -1.25 -0.65 0.00 0.00 174.74 173.00 1l5i s PRO 89 N 1.15 2.60 -0.16 2.88 0.04 -1.26 -4.93 135.00 135.32 1l5i s PRO 89 Ca 0.06 0.82 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 1l5i s PRO 89 Cb -0.22 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1l5i s PRO 89 CO -0.04 -1.30 0.71 1.21 0.04 0.00 0.00 177.00 177.61 1l5i s ASN 90 N -3.84 6.84 -0.11 6.66 3.84 -0.54 -4.82 114.94 122.96 1l5i s ASN 90 Ca 0.59 1.02 -0.18 0.00 0.21 0.00 0.00 52.86 54.50 1l5i s ASN 90 Cb -0.14 -2.39 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 1l5i s ASN 90 CO 0.55 -0.28 0.46 -0.63 -2.79 0.00 0.00 177.10 174.41 1l5i s ILE 91 N 1.73 5.18 -0.03 -5.21 1.01 -1.26 -2.38 121.20 120.25 1l5i s ILE 91 Ca 0.34 0.91 0.01 0.00 0.00 0.00 0.00 60.65 61.91 1l5i s ILE 91 Cb -0.16 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1l5i s ILE 91 CO 0.13 0.35 -0.04 -1.10 0.00 0.00 0.00 174.94 174.27 1l5i s GLN 92 N 0.45 0.65 -0.36 2.79 -1.52 -0.71 -4.96 119.66 116.01 1l5i s GLN 92 Ca 0.25 -0.12 -0.20 0.00 -1.95 0.00 0.00 55.36 53.34 1l5i s GLN 92 Cb -0.15 -0.67 0.00 0.00 -0.22 0.00 0.00 33.01 31.97 1l5i s GLN 92 CO 0.10 -0.01 0.60 0.20 -0.25 0.00 0.00 175.29 175.93 1l5i s GLY 93 N 0.56 1.77 -0.39 3.09 0.00 -1.26 -0.42 107.32 110.66 1l5i s GLY 93 Ca -0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 44.72 43.48 1l5i s GLY 93 CO -0.00 1.43 0.85 0.00 0.00 0.00 0.00 173.10 175.38 1l5i s ALA 94 N 2.63 3.37 1.00 3.20 0.00 0.14 -4.99 121.76 127.10 1l5i s ALA 94 Ca 0.23 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1l5i s ALA 94 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1l5i s ALA 94 CO 0.15 -1.66 0.00 1.17 0.00 0.00 0.00 175.76 175.41 1l5i n LYS 95 N 6.68 1.84 -3.21 0.00 3.00 -1.26 -3.87 118.16 121.34 1l5i n LYS 95 Ca 0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.98 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 -1.12 0.00 0.00 0.00 177.40 176.28 1l5i s SER 96 N -1.90 7.05 0.00 3.14 0.01 -1.26 -4.83 113.70 115.90 1l5i s SER 96 Ca 0.00 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1l5i s SER 96 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1l5i s SER 96 CO 0.00 0.16 0.00 -1.54 0.41 0.00 0.00 173.24 172.27 1l5i n SER 97 N 1.20 0.00 -0.01 2.44 3.41 -1.26 -4.96 113.62 114.44 1l5i n SER 97 Ca -0.06 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.69 1l5i n SER 97 Cb 0.51 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.20 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 0.04 -0.18 4.04 3.41 -1.26 -3.70 113.62 115.97 1l5i n SER 98 Ca 0.00 -0.14 0.29 0.00 -0.26 0.00 0.00 58.87 58.76 1l5i n SER 98 Cb 0.00 -0.28 0.60 0.00 -0.26 0.00 0.00 64.21 64.28 1l5i n SER 98 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1l5i h ASP 99 N 0.04 0.00 -0.40 4.04 3.58 -1.99 2.13 116.42 123.82 1l5i h ASP 99 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1l5i h ASP 99 Cb 0.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1l5i h ASP 99 CO 0.00 0.00 -0.15 -0.37 -2.88 0.00 0.00 179.24 175.84 1l5i h VAL 100 N 0.00 1.28 -0.70 2.25 -1.51 -1.99 -2.21 116.25 113.37 1l5i h VAL 100 Ca 0.46 -1.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.65 1l5i h VAL 100 Cb 2.39 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 32.77 1l5i h VAL 100 CO -0.00 0.43 0.40 0.50 -1.23 0.00 0.00 177.57 177.66 1l5i h LYS 101 N 0.62 0.96 -0.63 5.19 3.11 0.32 0.30 116.57 126.44 1l5i h LYS 101 Ca 0.10 -0.10 0.05 0.00 -2.81 0.00 0.00 60.65 57.88 1l5i h LYS 101 Cb 0.69 -0.19 -0.05 0.00 -1.00 0.00 0.00 32.23 31.68 1l5i h LYS 101 CO 0.05 0.70 0.36 0.77 -2.81 0.00 0.00 179.45 178.53 1l5i h SER 102 N 0.95 0.56 0.23 4.20 0.02 -1.23 0.21 113.55 118.49 1l5i h SER 102 Ca 0.25 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.07 1l5i h SER 102 Cb 0.01 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1l5i h SER 102 CO -0.04 0.38 -0.55 0.22 -1.14 0.00 0.00 176.83 175.69 1l5i h TYR 103 N 0.69 0.43 -0.64 3.45 3.20 -0.79 -2.83 116.97 120.48 1l5i h TYR 103 Ca 0.27 -0.15 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1l5i h TYR 103 Cb 0.12 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1l5i h TYR 103 CO -0.07 0.82 0.05 0.82 -1.64 0.00 0.00 178.16 178.13 1l5i h ILE 104 N 0.26 1.27 0.00 1.81 2.04 0.56 -1.38 117.51 122.06 1l5i h ILE 104 Ca 0.00 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1l5i h ILE 104 Cb 1.05 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1l5i h ILE 104 CO 0.09 0.41 0.00 0.44 0.00 0.00 0.00 178.15 179.09 1l5i h ASP 105 N 1.01 0.00 0.00 1.72 3.32 -0.49 -3.32 116.42 118.66 1l5i h ASP 105 Ca 0.19 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.61 1l5i h ASP 105 Cb 0.52 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.08 1l5i h ASP 105 CO 0.02 0.00 2.82 0.29 -1.72 0.00 0.00 179.24 180.65 1l5i n LYS 106 N -3.04 2.31 -2.07 3.56 5.02 -0.52 -4.90 118.16 118.53 1l5i n LYS 106 Ca -0.01 -2.06 -0.28 0.00 -2.02 0.00 0.00 58.31 53.94 1l5i n LYS 106 Cb 0.22 -2.94 0.11 0.00 -0.02 0.00 0.00 35.03 32.40 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 3.79 4.18 0.00 4.39 2.15 -1.25 -5.00 116.67 124.93 1l5i s ASP 107 Ca 0.52 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.93 1l5i s ASP 107 Cb 0.14 -0.82 0.00 0.00 -0.30 0.00 0.00 42.92 41.94 1l5i s ASP 107 CO 0.00 -2.05 0.00 0.61 -0.17 0.00 0.00 175.17 173.57 1l5i n GLY 108 N -3.28 2.26 3.22 2.66 0.00 -1.26 -4.95 105.19 103.83 1l5i n GLY 108 Ca 0.11 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.72 -4.25 1.61 9.92 -1.26 -5.01 116.55 113.83 1l5i n ASP 109 Ca 0.00 -0.51 -0.14 0.00 -0.53 0.00 0.00 54.79 53.61 1l5i n ASP 109 Cb 0.00 -4.51 -0.10 0.00 -0.64 0.00 0.00 41.12 35.87 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 -3.30 0.99 -0.20 2.53 0.11 -1.26 -4.68 120.40 114.58 1l5i s VAL 110 Ca 0.23 -2.02 -0.07 0.00 -2.93 0.00 0.00 61.98 57.18 1l5i s VAL 110 Cb -0.10 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 1l5i s VAL 110 CO 0.64 -0.64 0.06 -0.22 -3.33 0.00 0.00 175.10 171.61 1l5i s LEU 111 N -3.18 3.65 -0.15 2.54 0.20 -0.91 -5.01 118.68 115.82 1l5i s LEU 111 Ca 0.19 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.99 1l5i s LEU 111 Cb 0.04 -1.94 -0.00 0.00 -0.43 0.00 0.00 46.19 43.86 1l5i s LEU 111 CO 0.02 0.10 -0.17 -1.61 -0.29 0.00 0.00 176.35 174.41 1l5i s GLU 112 N 0.80 3.19 -0.02 1.98 8.01 -1.26 -2.35 118.70 129.06 1l5i s GLU 112 Ca 0.03 -0.77 0.02 0.00 0.01 0.00 0.00 54.97 54.27 1l5i s GLU 112 Cb -0.14 -2.58 0.00 0.00 -4.31 0.00 0.00 34.13 27.11 1l5i s GLU 112 CO 0.02 0.04 -0.07 -0.46 0.01 0.00 0.00 175.26 174.80 1l5i s TRP 113 N 0.73 0.74 0.07 1.61 -0.00 -0.76 -5.02 118.94 116.31 1l5i s TRP 113 Ca -0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 56.10 55.87 1l5i s TRP 113 Cb -0.16 -0.53 0.00 0.00 -0.00 0.00 0.00 33.47 32.79 1l5i s TRP 113 CO 0.01 -0.06 0.00 0.41 -0.00 0.00 0.00 176.95 177.31 1l5i n GLY 114 N 3.20 -2.03 3.17 5.86 0.00 -1.26 0.34 105.19 114.46 1l5i n GLY 114 Ca -0.17 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.93 1.51 0.44 2.61 2.01 -1.20 -4.69 115.64 115.39 1l5i s THR 115 Ca 0.00 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.01 1l5i s THR 115 Cb 0.00 -1.27 -0.11 0.00 0.01 0.00 0.00 72.50 71.13 1l5i s THR 115 CO 0.00 0.43 0.96 0.12 -0.69 0.00 0.00 174.62 175.43 1l5i s PHE 116 N -0.19 3.32 -0.08 4.92 5.36 -1.26 -3.13 117.98 126.93 1l5i s PHE 116 Ca 0.01 1.59 0.02 0.00 -0.96 0.00 0.00 56.93 57.60 1l5i s PHE 116 Cb -0.10 -2.85 -0.02 0.00 -0.34 0.00 0.00 43.02 39.71 1l5i s PHE 116 CO 0.01 -0.15 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.83 1l5i s GLN 117 N -3.29 2.79 -0.18 10.12 1.11 -1.26 -5.00 119.66 123.95 1l5i s GLN 117 Ca 0.62 -0.70 -0.26 0.00 0.01 0.00 0.00 55.36 55.03 1l5i s GLN 117 Cb -0.09 -2.45 -0.01 0.00 -1.01 0.00 0.00 33.01 29.45 1l5i s GLN 117 CO 0.15 0.48 0.87 0.42 0.01 0.00 0.00 175.29 177.22 1l5i s ILE 118 N -0.36 4.85 -0.32 1.08 -1.09 -1.26 -4.99 121.20 119.11 1l5i s ILE 118 Ca 0.04 1.69 0.05 0.00 -2.23 0.00 0.00 60.65 60.20 1l5i s ILE 118 Cb -0.12 -4.16 0.18 0.00 -1.58 0.00 0.00 42.46 36.77 1l5i s ILE 118 CO 0.02 -0.01 0.51 -1.81 -1.23 0.00 0.00 174.94 172.42 1l5i s ASP 119 N 1.19 -0.55 -0.05 3.58 1.11 -1.26 -5.14 116.67 115.54 1l5i s ASP 119 Ca 0.39 -0.42 -0.30 0.00 0.18 0.00 0.00 52.55 52.40 1l5i s ASP 119 Cb -0.16 1.51 0.11 0.00 1.07 0.00 0.00 42.92 45.45 1l5i s ASP 119 CO 0.11 -0.29 1.33 -0.83 1.18 0.00 0.00 175.17 176.68 1l5i s GLY 120 N 2.36 -0.23 0.00 0.21 0.00 -1.26 -4.88 107.32 103.52 1l5i s GLY 120 Ca 0.12 0.27 0.28 0.00 0.00 0.00 0.00 44.72 45.39 1l5i s GLY 120 CO -0.21 4.68 1.76 -2.13 0.00 0.00 0.00 173.10 177.20