#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 -1.30 3.86 0.23 0.00 -1.26 -5.17 105.19 101.56 1l5i n GLY 5 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.73 -0.58 1.61 3.52 -1.26 -4.97 118.95 121.00 1l5i s ARG 6 Ca 0.00 0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 56.15 1l5i s ARG 6 Cb 0.00 -2.10 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1l5i s ARG 6 CO 0.00 -0.45 1.57 0.12 -0.81 0.00 0.00 175.30 175.73 1l5i s PHE 7 N -2.96 2.04 -0.10 5.12 5.36 -1.26 -4.95 117.98 121.22 1l5i s PHE 7 Ca 0.56 0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 57.03 1l5i s PHE 7 Cb -0.11 -4.31 0.03 0.00 -0.34 0.00 0.00 43.02 38.29 1l5i s PHE 7 CO 0.45 -2.18 -0.04 -1.54 -1.46 0.00 0.00 175.22 170.46 1l5i s SER 8 N 5.63 2.02 -0.10 6.13 1.04 -1.26 -4.23 113.70 122.93 1l5i s SER 8 Ca 0.57 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.72 1l5i s SER 8 Cb -0.12 -0.67 -0.03 0.00 0.10 0.00 0.00 66.02 65.31 1l5i s SER 8 CO 0.23 -0.17 -0.07 -0.63 0.98 0.00 0.00 173.24 173.58 1l5i s ILE 9 N 1.82 3.65 -0.18 -1.02 1.01 -1.14 -4.91 121.20 120.44 1l5i s ILE 9 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1l5i s ILE 9 Cb -0.13 -2.53 0.06 0.00 0.01 0.00 0.00 42.46 39.87 1l5i s ILE 9 CO -0.07 0.56 0.04 -0.54 0.00 0.00 0.00 174.94 174.93 1l5i s LYS 10 N -0.29 0.55 0.16 2.79 1.02 -1.26 0.96 119.74 123.67 1l5i s LYS 10 Ca 0.04 -0.33 -0.24 0.00 0.02 0.00 0.00 55.97 55.46 1l5i s LYS 10 Cb -0.13 -1.99 0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1l5i s LYS 10 CO 0.02 -0.62 0.74 0.00 -0.92 0.00 0.00 175.35 174.57 1l5i s ALA 11 N 1.91 -1.56 -0.16 5.17 0.00 -1.01 -4.96 121.76 121.15 1l5i s ALA 11 Ca -0.00 0.34 0.18 0.00 0.00 0.00 0.00 51.96 52.47 1l5i s ALA 11 Cb -0.17 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1l5i s ALA 11 CO -0.08 -0.86 1.04 -0.22 0.00 0.00 0.00 175.76 175.64 1l5i h LYS 12 N 2.00 0.00 -5.92 0.00 3.64 -1.86 -1.92 116.57 112.51 1l5i h LYS 12 Ca -0.26 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.44 1l5i h LYS 12 Cb 1.27 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.85 1l5i h LYS 12 CO 0.31 0.27 -0.76 -0.80 -2.27 0.00 0.00 179.45 176.19 1l5i s ASN 13 N -5.87 4.07 -0.03 4.20 0.01 -1.26 -2.02 114.94 114.03 1l5i s ASN 13 Ca -0.00 -0.23 0.02 0.00 -0.71 0.00 0.00 52.86 51.93 1l5i s ASN 13 Cb 0.08 -1.17 0.01 0.00 0.41 0.00 0.00 41.25 40.59 1l5i s ASN 13 CO 0.79 0.28 -0.07 -0.31 -1.51 0.00 0.00 177.10 176.28 1l5i s TYR 14 N -0.31 0.82 -0.13 2.20 2.02 -1.03 -2.31 117.35 118.61 1l5i s TYR 14 Ca 0.03 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1l5i s TYR 14 Cb -0.13 -0.64 0.01 0.00 -0.40 0.00 0.00 41.96 40.80 1l5i s TYR 14 CO 0.03 -0.14 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.60 1l5i s PHE 15 N 0.50 2.55 -0.15 2.71 0.40 0.09 -2.19 117.98 121.89 1l5i s PHE 15 Ca -0.07 -1.27 -0.06 0.00 -0.60 0.00 0.00 56.93 54.93 1l5i s PHE 15 Cb -0.11 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 1l5i s PHE 15 CO 0.01 -0.59 0.05 -0.51 0.70 0.00 0.00 175.22 174.88 1l5i s LEU 16 N 0.83 3.82 -0.13 -0.37 2.01 -0.97 -2.30 118.68 121.57 1l5i s LEU 16 Ca -0.07 0.14 0.02 0.00 0.01 0.00 0.00 54.13 54.23 1l5i s LEU 16 Cb -0.15 -1.94 0.01 0.00 0.01 0.00 0.00 46.19 44.11 1l5i s LEU 16 CO -0.02 0.25 -0.22 -0.89 1.01 0.00 0.00 176.35 176.49 1l5i s THR 17 N -0.11 2.13 -0.37 5.49 2.01 -1.02 -2.13 115.64 121.65 1l5i s THR 17 Ca 0.07 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 1l5i s THR 17 Cb -0.12 -1.85 0.09 0.00 0.01 0.00 0.00 72.50 70.63 1l5i s THR 17 CO 0.01 0.55 0.12 -0.31 -0.69 0.00 0.00 174.62 174.30 1l5i s TYR 18 N 0.73 3.57 0.22 4.92 1.51 -0.96 -1.35 117.35 125.98 1l5i s TYR 18 Ca -0.09 -2.47 -0.30 0.00 -1.01 0.00 0.00 57.07 53.21 1l5i s TYR 18 Cb -0.16 -2.90 -0.08 0.00 -0.11 0.00 0.00 41.96 38.70 1l5i s TYR 18 CO 0.00 -0.93 1.10 -1.25 -1.11 0.00 0.00 175.55 173.36 1l5i s PRO 19 N 1.10 4.62 -1.66 -1.71 0.04 -1.26 -2.36 135.00 133.76 1l5i s PRO 19 Ca 0.06 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.77 1l5i s PRO 19 Cb -0.21 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.17 1l5i s PRO 19 CO -0.05 0.14 0.21 0.36 0.04 0.00 0.00 177.00 177.71 1l5i n LYS 20 N 1.85 -0.89 -3.84 4.56 2.85 -1.11 -4.88 118.16 116.71 1l5i n LYS 20 Ca 0.01 0.11 -0.36 0.00 -1.05 0.00 0.00 58.31 57.02 1l5i n LYS 20 Cb 0.46 -3.98 -0.13 0.00 -0.65 0.00 0.00 35.03 30.73 1l5i n LYS 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1l5i n ASP 22 N 4.80 2.10 -4.74 0.00 2.03 -1.26 -4.47 116.55 115.00 1l5i n ASP 22 Ca -0.17 -2.17 -0.41 0.00 0.52 0.00 0.00 54.79 52.56 1l5i n ASP 22 Cb 0.51 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.50 1l5i n ASP 22 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1l5i s LEU 23 N -1.00 4.43 0.60 -2.67 2.96 -1.26 -5.02 118.68 116.72 1l5i s LEU 23 Ca 0.19 2.40 -0.05 0.00 -0.22 0.00 0.00 54.13 56.44 1l5i s LEU 23 Cb 0.12 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.21 1l5i s LEU 23 CO 0.09 -0.47 0.90 0.42 -1.32 0.00 0.00 176.35 175.97 1l5i s THR 24 N -0.18 3.45 0.26 3.68 -4.23 -1.26 -4.91 115.64 112.45 1l5i s THR 24 Ca 0.54 -0.08 0.13 0.00 -1.18 0.00 0.00 61.69 61.10 1l5i s THR 24 Cb -0.36 -3.38 0.04 0.00 1.34 0.00 0.00 72.50 70.14 1l5i s THR 24 CO 0.40 -0.38 1.68 0.07 -0.54 0.00 0.00 174.62 175.85 1l5i h LYS 25 N -0.19 0.00 -0.09 3.99 -0.00 -1.95 -1.40 116.57 116.93 1l5i h LYS 25 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.18 1l5i h LYS 25 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.49 1l5i h LYS 25 CO 0.60 0.51 0.00 1.49 -0.00 0.00 0.00 179.45 182.05 1l5i h GLU 26 N 0.00 0.16 -0.37 0.07 4.81 -1.96 1.50 114.58 118.79 1l5i h GLU 26 Ca -0.01 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1l5i h GLU 26 Cb 0.97 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1l5i h GLU 26 CO 0.07 0.42 0.04 -0.91 -0.73 0.00 0.00 179.01 177.89 1l5i h ASN 27 N -0.12 0.60 0.07 1.04 -0.26 -1.94 0.38 115.58 115.36 1l5i h ASN 27 Ca 0.03 -0.28 -0.11 0.00 -0.56 0.00 0.00 56.30 55.38 1l5i h ASN 27 Cb 0.34 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1l5i h ASN 27 CO 0.00 0.73 -0.36 0.00 -1.06 0.00 0.00 177.43 176.74 1l5i h ALA 28 N 0.90 1.03 -0.39 -0.83 0.00 -1.19 0.11 119.26 118.89 1l5i h ALA 28 Ca 0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1l5i h ALA 28 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1l5i h ALA 28 CO 0.01 0.60 -0.28 1.25 0.00 0.00 0.00 179.25 180.83 1l5i h LEU 29 N 0.34 0.93 -0.26 0.00 7.12 0.25 0.67 115.31 124.37 1l5i h LEU 29 Ca 0.04 -0.44 -0.07 0.00 0.13 0.00 0.00 57.88 57.54 1l5i h LEU 29 Cb 0.80 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 1l5i h LEU 29 CO 0.06 1.17 -0.11 0.28 -0.13 0.00 0.00 178.44 179.71 1l5i h SER 30 N 0.70 0.54 -0.08 1.25 0.02 0.02 0.51 113.55 116.51 1l5i h SER 30 Ca 0.08 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1l5i h SER 30 Cb 0.86 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1l5i h SER 30 CO 0.08 0.82 -0.04 1.56 -1.14 0.00 0.00 176.83 178.11 1l5i h GLN 31 N 0.26 0.17 -0.34 3.45 4.20 -0.72 0.15 115.11 122.28 1l5i h GLN 31 Ca 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1l5i h GLN 31 Cb 0.61 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1l5i h GLN 31 CO 0.03 0.53 0.16 0.82 -0.67 0.00 0.00 178.83 179.70 1l5i h ILE 32 N -0.19 1.16 -0.24 2.54 1.08 0.35 0.48 117.51 122.69 1l5i h ILE 32 Ca 0.02 -0.47 -0.04 0.00 -0.39 0.00 0.00 64.86 63.98 1l5i h ILE 32 Cb 0.47 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1l5i h ILE 32 CO 0.01 0.17 -0.01 0.74 -0.69 0.00 0.00 178.15 178.37 1l5i h THR 33 N 0.41 1.16 0.00 -0.27 2.02 0.07 0.07 112.91 116.37 1l5i h THR 33 Ca 0.12 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1l5i h THR 33 Cb 0.12 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1l5i h THR 33 CO -0.01 0.21 -0.23 0.59 0.37 0.00 0.00 175.52 176.44 1l5i n ASN 34 N -4.33 0.35 -4.65 4.18 5.03 0.51 -4.78 115.26 111.57 1l5i n ASN 34 Ca 0.00 0.23 -0.43 0.00 0.87 0.00 0.00 54.58 55.25 1l5i n ASN 34 Cb 0.21 -0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 38.73 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 -3.35 4.06 0.69 3.41 1.02 0.16 -5.00 118.68 119.67 1l5i s LEU 35 Ca 0.12 1.55 -0.11 0.00 0.02 0.00 0.00 54.13 55.71 1l5i s LEU 35 Cb 0.17 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.85 1l5i s LEU 35 CO 0.62 -0.93 1.08 -1.10 0.02 0.00 0.00 176.35 176.03 1l5i s GLN 36 N 3.89 3.01 0.03 1.70 -0.21 -1.26 -4.96 119.66 121.85 1l5i s GLN 36 Ca 0.58 0.57 -0.09 0.00 0.02 0.00 0.00 55.36 56.44 1l5i s GLN 36 Cb -0.21 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.77 1l5i s GLN 36 CO 0.20 -0.95 0.18 -0.08 -2.12 0.00 0.00 175.29 172.52 1l5i s THR 37 N -3.29 0.10 -0.51 -0.19 -1.32 -1.26 -5.03 115.64 104.14 1l5i s THR 37 Ca 0.57 -0.85 0.26 0.00 -1.21 0.00 0.00 61.69 60.46 1l5i s THR 37 Cb -0.11 -0.81 0.29 0.00 -1.51 0.00 0.00 72.50 70.35 1l5i s THR 37 CO 0.53 -0.47 1.76 1.55 -2.21 0.00 0.00 174.62 175.78 1l5i h PRO 38 N 3.63 0.00 0.00 7.08 0.13 -1.98 -3.40 132.00 137.45 1l5i h PRO 38 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1l5i h PRO 38 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1l5i h PRO 38 CO 0.47 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.87 1l5i n THR 39 N -2.43 0.00 0.00 1.56 5.66 -1.26 -5.13 114.28 112.68 1l5i n THR 39 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1l5i n THR 39 Cb 0.35 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 1l5i n THR 39 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1l5i n ASN 40 N 0.00 0.00 -4.66 1.09 5.15 -1.26 -4.95 115.26 110.63 1l5i n ASN 40 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 1l5i n ASN 40 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1l5i n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1l5i s LYS 41 N -1.06 4.22 0.00 1.20 1.02 -1.26 -2.39 119.74 121.47 1l5i s LYS 41 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1l5i s LYS 41 Cb 0.00 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1l5i s LYS 41 CO 0.00 -0.26 0.00 1.28 -0.92 0.00 0.00 175.35 175.45 1l5i n LEU 42 N 5.09 0.20 -4.85 3.17 4.32 0.14 -4.89 117.00 120.19 1l5i n LEU 42 Ca -0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.72 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 0.44 0.00 -0.18 0.12 -1.22 0.00 0.00 177.39 176.55 1l5i s PHE 43 N 0.00 3.28 -0.15 -1.77 5.36 -1.20 -3.09 117.98 120.40 1l5i s PHE 43 Ca 0.00 0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1l5i s PHE 43 Cb 0.00 -1.58 0.07 0.00 -0.34 0.00 0.00 43.02 41.17 1l5i s PHE 43 CO 0.00 0.52 0.22 0.42 -1.46 0.00 0.00 175.22 174.92 1l5i s ILE 44 N -1.70 -0.33 -0.04 3.12 1.01 0.11 -1.48 121.20 121.89 1l5i s ILE 44 Ca 0.32 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1l5i s ILE 44 Cb -0.11 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.87 1l5i s ILE 44 CO 0.25 -0.03 -0.02 -0.75 0.00 0.00 0.00 174.94 174.39 1l5i s LYS 45 N 2.34 0.56 -0.23 2.79 2.36 -0.46 0.64 119.74 127.74 1l5i s LYS 45 Ca 0.04 0.00 0.01 0.00 -2.55 0.00 0.00 55.97 53.48 1l5i s LYS 45 Cb -0.14 -0.68 0.04 0.00 -1.05 0.00 0.00 37.83 36.00 1l5i s LYS 45 CO -0.09 -0.13 -0.14 0.42 1.55 0.00 0.00 175.35 176.96 1l5i s ILE 46 N 1.08 2.28 -0.08 5.43 1.01 -1.01 -0.50 121.20 129.40 1l5i s ILE 46 Ca -0.09 -1.23 0.01 0.00 0.00 0.00 0.00 60.65 59.34 1l5i s ILE 46 Cb -0.14 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1l5i s ILE 46 CO -0.01 0.25 -0.07 0.00 0.00 0.00 0.00 174.94 175.10 1l5i s ARG 48 N -0.65 3.62 -0.08 0.00 3.52 -1.26 0.06 118.95 124.15 1l5i s ARG 48 Ca 0.10 -0.02 -0.06 0.00 -0.13 0.00 0.00 55.73 55.62 1l5i s ARG 48 Cb -0.11 -3.08 0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1l5i s ARG 48 CO 0.02 0.65 0.21 -2.00 -0.81 0.00 0.00 175.30 173.36 1l5i s GLU 49 N -1.70 0.20 -0.13 5.12 2.12 -0.80 -4.89 118.70 118.62 1l5i s GLU 49 Ca 0.27 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.87 1l5i s GLU 49 Cb -0.13 -0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.21 1l5i s GLU 49 CO 0.15 -0.09 0.21 -0.51 -0.54 0.00 0.00 175.26 174.49 1l5i s LEU 50 N 0.61 4.32 0.44 2.70 2.01 -1.26 -0.29 118.68 127.21 1l5i s LEU 50 Ca -0.04 0.49 -0.13 0.00 0.01 0.00 0.00 54.13 54.46 1l5i s LEU 50 Cb -0.06 -2.22 -0.07 0.00 0.01 0.00 0.00 46.19 43.85 1l5i s LEU 50 CO -0.03 0.26 0.84 -1.00 1.01 0.00 0.00 176.35 177.42 1l5i s HIS 51 N -0.29 3.46 -1.31 0.29 3.76 -0.25 -4.86 115.29 116.10 1l5i s HIS 51 Ca 0.15 1.19 0.22 0.00 -0.15 0.00 0.00 55.06 56.47 1l5i s HIS 51 Cb -0.13 -2.56 1.06 0.00 1.11 0.00 0.00 32.58 32.06 1l5i s HIS 51 CO 0.04 -0.19 1.71 0.39 -0.85 0.00 0.00 174.74 175.84 1l5i n GLU 52 N -1.36 0.22 -0.01 1.40 1.02 -1.26 -2.14 120.64 118.52 1l5i n GLU 52 Ca 0.04 0.09 0.14 0.00 -0.02 0.00 0.00 57.16 57.41 1l5i n GLU 52 Cb 0.54 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 31.18 1l5i n GLU 52 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1l5i n ASN 53 N -1.35 0.50 0.00 1.62 4.13 -1.26 -4.85 115.26 114.05 1l5i n ASN 53 Ca 0.09 -1.26 0.00 0.00 1.68 0.00 0.00 54.58 55.09 1l5i n ASN 53 Cb 0.20 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 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 1.01 0.86 3.82 7.41 0.00 -0.91 -5.03 105.19 112.36 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 -0.24 3.87 -0.09 1.61 -1.05 -1.25 -4.94 118.70 116.61 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 -3.27 -0.03 0.00 -0.44 0.00 0.00 34.13 30.39 1l5i s GLU 55 CO 0.00 0.58 1.24 -1.25 0.95 0.00 0.00 175.26 176.78 1l5i s PRO 56 N -0.58 4.31 0.17 -4.83 0.04 -1.26 -1.09 135.00 131.75 1l5i s PRO 56 Ca 0.18 1.69 0.06 0.00 0.04 0.00 0.00 61.00 62.98 1l5i s PRO 56 Cb -0.14 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1l5i s PRO 56 CO 0.07 -0.54 0.06 -1.58 0.04 0.00 0.00 177.00 175.05 1l5i s HIS 57 N 2.65 2.97 -0.02 0.56 2.46 0.60 -1.17 115.29 123.35 1l5i s HIS 57 Ca 0.56 -0.09 0.03 0.00 0.47 0.00 0.00 55.06 56.04 1l5i s HIS 57 Cb -0.24 -1.43 -0.00 0.00 -0.13 0.00 0.00 32.58 30.77 1l5i s HIS 57 CO 0.20 0.52 -0.12 -1.17 -2.47 0.00 0.00 174.74 171.70 1l5i s LEU 58 N -3.03 1.94 0.04 8.88 1.98 -0.99 -1.91 118.68 125.58 1l5i s LEU 58 Ca 0.29 -0.23 0.08 0.00 -2.89 0.00 0.00 54.13 51.38 1l5i s LEU 58 Cb -0.10 -0.66 -0.03 0.00 0.66 0.00 0.00 46.19 46.06 1l5i s LEU 58 CO 0.21 0.13 -0.23 -1.00 -1.89 0.00 0.00 176.35 173.56 1l5i s HIS 59 N -0.10 2.42 -0.00 5.38 3.76 0.11 -2.27 115.29 124.59 1l5i s HIS 59 Ca 0.01 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1l5i s HIS 59 Cb -0.07 -1.43 -0.00 0.00 1.11 0.00 0.00 32.58 32.19 1l5i s HIS 59 CO 0.00 0.17 -0.01 0.42 -0.85 0.00 0.00 174.74 174.47 1l5i s ILE 60 N -0.84 0.08 -0.17 0.60 1.01 -0.91 -1.31 121.20 119.66 1l5i s ILE 60 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 1l5i s ILE 60 Cb -0.10 -0.08 0.06 0.00 0.01 0.00 0.00 42.46 42.35 1l5i s ILE 60 CO 0.03 0.02 0.07 -0.22 0.00 0.00 0.00 174.94 174.85 1l5i s LEU 61 N -0.01 0.54 0.16 2.97 1.98 0.34 -2.28 118.68 122.38 1l5i s LEU 61 Ca 0.00 -0.62 0.11 0.00 -2.89 0.00 0.00 54.13 50.73 1l5i s LEU 61 Cb -0.01 -0.32 -0.04 0.00 0.66 0.00 0.00 46.19 46.48 1l5i s LEU 61 CO -0.00 -0.33 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.26 1l5i s ILE 62 N 2.07 2.45 0.02 6.68 1.01 -0.93 -1.35 121.20 131.14 1l5i s ILE 62 Ca 0.01 -1.82 0.05 0.00 0.00 0.00 0.00 60.65 58.89 1l5i s ILE 62 Cb -0.16 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1l5i s ILE 62 CO -0.08 -0.00 -0.15 -1.58 0.00 0.00 0.00 174.94 173.12 1l5i s GLN 63 N -2.37 1.09 0.09 2.79 0.74 -0.55 -2.47 119.66 118.98 1l5i s GLN 63 Ca 0.18 -0.68 0.10 0.00 0.05 0.00 0.00 55.36 55.01 1l5i s GLN 63 Cb -0.09 -1.09 -0.04 0.00 1.10 0.00 0.00 33.01 32.89 1l5i s GLN 63 CO 0.09 0.28 -0.25 -0.06 -0.55 0.00 0.00 175.29 174.80 1l5i s PHE 64 N -0.63 2.36 0.37 1.67 0.40 -0.86 0.28 117.98 121.58 1l5i s PHE 64 Ca 0.04 -0.37 0.07 0.00 -0.60 0.00 0.00 56.93 56.07 1l5i s PHE 64 Cb -0.07 -1.33 0.73 0.00 0.51 0.00 0.00 43.02 42.87 1l5i s PHE 64 CO 0.01 0.27 1.94 1.49 0.70 0.00 0.00 175.22 179.62 1l5i h GLU 65 N 4.22 0.44 -5.39 0.44 4.81 -1.80 -3.44 114.58 113.85 1l5i h GLU 65 Ca -0.49 -0.07 -0.45 0.00 -0.13 0.00 0.00 59.36 58.21 1l5i h GLU 65 Cb 1.16 -0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.32 1l5i h GLU 65 CO 0.42 0.44 -0.68 0.20 -0.73 0.00 0.00 179.01 178.66 1l5i s GLY 66 N -3.87 1.67 -0.24 1.92 0.00 -1.26 -5.06 107.32 100.49 1l5i s GLY 66 Ca -0.07 -1.82 -0.28 0.00 0.00 0.00 0.00 44.72 42.55 1l5i s GLY 66 CO 0.74 -1.77 2.24 0.28 0.00 0.00 0.00 173.10 174.59 1l5i n LYS 67 N -0.50 1.89 -3.32 2.90 5.02 -1.26 -4.71 118.16 118.17 1l5i n LYS 67 Ca -0.06 0.50 -0.38 0.00 -2.02 0.00 0.00 58.31 56.35 1l5i n LYS 67 Cb 0.63 -3.22 -0.06 0.00 -0.02 0.00 0.00 35.03 32.36 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 8.50 3.66 -0.41 2.13 5.04 -0.72 -4.83 117.35 130.71 1l5i s TYR 68 Ca 1.01 1.06 -0.16 0.00 -2.44 0.00 0.00 57.07 56.54 1l5i s TYR 68 Cb -0.35 -2.50 0.02 0.00 0.35 0.00 0.00 41.96 39.49 1l5i s TYR 68 CO 0.35 0.40 0.36 1.21 -1.34 0.00 0.00 175.55 176.53 1l5i s ASN 69 N -0.27 6.15 -0.96 4.32 3.04 -1.26 -2.40 114.94 123.56 1l5i s ASN 69 Ca 0.27 -0.77 -0.02 0.00 0.04 0.00 0.00 52.86 52.38 1l5i s ASN 69 Cb -0.17 -2.19 0.29 0.00 -1.54 0.00 0.00 41.25 37.64 1l5i s ASN 69 CO 0.14 -0.50 1.22 0.00 -3.04 0.00 0.00 177.10 174.92 1l5i n THR 71 N 1.39 2.85 -3.66 0.00 5.66 -1.26 -2.88 114.28 116.38 1l5i n THR 71 Ca 0.26 -1.68 -0.08 0.00 -3.05 0.00 0.00 64.05 59.51 1l5i n THR 71 Cb 0.36 -0.69 -0.09 0.00 -1.55 0.00 0.00 70.33 68.36 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 -0.87 -0.51 -0.13 1.09 2.47 -1.26 -4.74 114.94 111.00 1l5i s ASN 72 Ca 0.46 1.11 0.03 0.00 0.42 0.00 0.00 52.86 54.88 1l5i s ASN 72 Cb 0.39 1.39 0.25 0.00 -1.45 0.00 0.00 41.25 41.82 1l5i s ASN 72 CO 0.07 -0.22 1.17 0.00 -3.72 0.00 0.00 177.10 174.40 1l5i n GLN 73 N 5.08 1.77 -0.00 0.43 10.64 -1.26 -3.21 117.38 130.83 1l5i n GLN 73 Ca -0.13 -1.04 0.02 0.00 -1.83 0.00 0.00 57.00 54.02 1l5i n GLN 73 Cb 0.51 -1.54 -0.03 0.00 -0.86 0.00 0.00 30.24 28.33 1l5i n GLN 73 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1l5i n ARG 74 N 0.04 4.66 0.21 2.61 1.74 -1.26 -4.32 116.66 120.34 1l5i n ARG 74 Ca 0.16 -0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.34 1l5i n ARG 74 Cb 0.78 -0.78 0.24 0.00 -1.02 0.00 0.00 32.46 31.68 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 0.00 -0.25 -1.55 3.04 -1.99 -3.12 116.94 113.07 1l5i h PHE 75 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1l5i h PHE 75 Cb 0.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1l5i h PHE 75 CO 0.00 0.13 0.00 1.19 -2.02 0.00 0.00 178.31 177.61 1l5i n PHE 76 N -3.15 0.49 -1.91 0.41 3.72 -1.26 -4.97 117.46 110.78 1l5i n PHE 76 Ca 0.03 -0.63 -0.41 0.00 -0.05 0.00 0.00 57.45 56.38 1l5i n PHE 76 Cb 0.53 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 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 -1.38 5.50 -0.13 4.37 1.01 -1.18 -4.44 116.67 120.43 1l5i s ASP 77 Ca 0.25 1.09 -0.05 0.00 0.71 0.00 0.00 52.55 54.55 1l5i s ASP 77 Cb 0.17 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1l5i s ASP 77 CO 0.11 -2.05 0.05 -0.76 0.21 0.00 0.00 175.17 172.73 1l5i s LEU 78 N 8.26 3.85 0.30 1.23 1.02 -0.75 -4.96 118.68 127.63 1l5i s LEU 78 Ca 0.81 0.19 0.09 0.00 0.02 0.00 0.00 54.13 55.24 1l5i s LEU 78 Cb -0.20 -1.93 -0.06 0.00 0.02 0.00 0.00 46.19 44.02 1l5i s LEU 78 CO 0.30 0.31 -0.10 0.68 0.02 0.00 0.00 176.35 177.55 1l5i s VAL 79 N -0.43 2.01 -0.28 -1.59 -7.23 -1.26 0.41 120.40 112.04 1l5i s VAL 79 Ca 0.09 -2.21 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 1l5i s VAL 79 Cb -0.12 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1l5i s VAL 79 CO 0.02 -0.31 0.79 -0.55 -0.31 0.00 0.00 175.10 174.74 1l5i s SER 80 N -3.51 6.71 0.00 4.85 0.15 -0.08 -4.90 113.70 116.93 1l5i s SER 80 Ca 0.30 0.79 0.23 0.00 0.70 0.00 0.00 55.95 57.98 1l5i s SER 80 Cb 0.01 -2.41 1.30 0.00 -1.71 0.00 0.00 66.02 63.22 1l5i s SER 80 CO 0.14 -0.56 1.77 -0.81 1.20 0.00 0.00 173.24 174.98 1l5i n PRO 81 N 6.10 0.55 -0.01 5.44 -0.04 -1.26 -2.53 135.00 143.26 1l5i n PRO 81 Ca 0.04 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 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 -1.13 0.03 -4.24 0.52 -2.24 -1.26 -5.01 114.28 100.95 1l5i n THR 82 Ca 0.15 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1l5i n THR 82 Cb 0.13 0.26 -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 0.67 -0.89 -0.78 3.52 -1.05 -5.03 118.95 112.91 1l5i s ARG 83 Ca -0.03 -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 -0.13 0.00 -1.56 0.00 0.00 34.95 32.71 1l5i s ARG 83 CO 0.30 0.15 2.80 0.45 -0.81 0.00 0.00 175.30 178.19 1l5i n SER 84 N 2.23 6.31 -4.04 -2.12 2.88 -1.26 -3.84 113.62 113.77 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 -1.32 -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 2.19 1.14 0.01 -1.46 0.00 -1.26 -5.04 121.76 117.34 1l5i s ALA 85 Ca 0.58 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1l5i s ALA 85 Cb 0.19 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1l5i s ALA 85 CO -0.03 0.17 0.07 -1.01 0.00 0.00 0.00 175.76 174.96 1l5i s HIS 86 N 0.28 3.25 -0.06 0.00 3.76 -1.26 -0.90 115.29 120.36 1l5i s HIS 86 Ca -0.06 0.17 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1l5i s HIS 86 Cb -0.11 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1l5i s HIS 86 CO 0.02 0.54 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.23 1l5i s PHE 87 N -1.23 1.68 -0.41 1.40 0.08 0.17 -4.97 117.98 114.69 1l5i s PHE 87 Ca 0.24 -0.56 -0.04 0.00 0.12 0.00 0.00 56.93 56.68 1l5i s PHE 87 Cb -0.12 -1.17 0.11 0.00 -0.57 0.00 0.00 43.02 41.27 1l5i s PHE 87 CO 0.15 -0.23 0.22 -1.58 -0.10 0.00 0.00 175.22 173.68 1l5i s HIS 88 N 0.32 3.53 0.68 0.36 5.65 -1.26 -1.81 115.29 122.76 1l5i s HIS 88 Ca -0.10 -2.25 -0.11 0.00 0.25 0.00 0.00 55.06 52.85 1l5i s HIS 88 Cb -0.14 -3.20 0.00 0.00 -1.18 0.00 0.00 32.58 28.06 1l5i s HIS 88 CO 0.04 -0.96 1.06 -1.25 -0.65 0.00 0.00 174.74 172.97 1l5i s PRO 89 N 1.20 3.00 -0.04 2.88 0.04 -1.26 -4.91 135.00 135.91 1l5i s PRO 89 Ca 0.07 0.98 -0.23 0.00 0.04 0.00 0.00 61.00 61.87 1l5i s PRO 89 Cb -0.23 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1l5i s PRO 89 CO -0.03 -1.05 0.67 1.21 0.04 0.00 0.00 177.00 177.84 1l5i s ASN 90 N -3.67 6.99 -0.28 6.66 3.84 -0.46 -4.82 114.94 123.21 1l5i s ASN 90 Ca 0.59 1.19 -0.14 0.00 0.21 0.00 0.00 52.86 54.71 1l5i s ASN 90 Cb -0.14 -2.40 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 1l5i s ASN 90 CO 0.52 -0.04 0.31 -0.63 -2.79 0.00 0.00 177.10 174.47 1l5i s ILE 91 N 0.45 5.22 -0.03 -5.21 1.01 -1.26 -2.45 121.20 118.94 1l5i s ILE 91 Ca 0.35 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.40 1l5i s ILE 91 Cb -0.18 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.66 1l5i s ILE 91 CO 0.18 0.17 -0.03 0.00 0.00 0.00 0.00 174.94 175.26 1l5i s GLN 92 N 1.96 0.54 -0.15 2.79 -2.07 -0.97 -5.01 119.66 116.75 1l5i s GLN 92 Ca 0.12 -0.07 -0.15 0.00 -1.82 0.00 0.00 55.36 53.43 1l5i s GLN 92 Cb -0.16 -0.59 -0.04 0.00 -1.09 0.00 0.00 33.01 31.12 1l5i s GLN 92 CO 0.10 -0.04 0.36 0.20 -1.32 0.00 0.00 175.29 174.59 1l5i s GLY 93 N 0.64 2.28 -0.36 2.60 0.00 -1.26 -0.73 107.32 110.48 1l5i s GLY 93 Ca -0.07 -0.36 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 1l5i s GLY 93 CO -0.00 0.55 1.27 0.00 0.00 0.00 0.00 173.10 174.92 1l5i s ALA 94 N 0.53 3.28 -1.45 3.20 0.00 -0.98 -4.85 121.76 121.49 1l5i s ALA 94 Ca 0.20 -0.08 0.20 0.00 0.00 0.00 0.00 51.96 52.28 1l5i s ALA 94 Cb -0.14 -3.82 0.99 0.00 0.00 0.00 0.00 23.12 20.16 1l5i s ALA 94 CO 0.06 -1.95 1.61 0.36 0.00 0.00 0.00 175.76 175.83 1l5i n LYS 95 N 7.51 0.29 -3.15 0.00 -0.00 -1.26 -4.61 118.16 116.94 1l5i n LYS 95 Ca 0.14 0.10 -0.19 0.00 -0.00 0.00 0.00 58.31 58.36 1l5i n LYS 95 Cb 0.47 -1.50 0.03 0.00 -0.00 0.00 0.00 35.03 34.03 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 -2.55 5.27 0.05 -5.58 0.01 -1.26 -5.07 113.70 104.57 1l5i s SER 96 Ca 0.19 -0.70 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1l5i s SER 96 Cb 0.13 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 1l5i s SER 96 CO 0.29 -1.02 -0.02 -1.54 0.41 0.00 0.00 173.24 171.36 1l5i n SER 97 N -1.97 0.84 0.14 2.44 3.41 -1.26 -4.76 113.62 112.45 1l5i n SER 97 Ca 0.10 0.11 0.03 0.00 -0.26 0.00 0.00 58.87 58.85 1l5i n SER 97 Cb 0.61 -0.26 0.03 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.06 0.00 -0.69 4.04 0.02 -1.98 -3.22 113.55 111.66 1l5i h SER 98 Ca -0.01 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.14 1l5i h SER 98 Cb 0.38 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1l5i h SER 98 CO -0.01 0.50 0.87 -0.78 -1.14 0.00 0.00 176.83 176.27 1l5i h ASP 99 N 0.00 0.00 -0.26 3.07 3.58 -2.00 1.56 116.42 122.37 1l5i h ASP 99 Ca -0.01 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 1l5i h ASP 99 Cb 1.38 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 1l5i h ASP 99 CO 0.06 0.00 -0.07 -0.37 -2.88 0.00 0.00 179.24 175.98 1l5i h VAL 100 N 0.00 1.29 -0.93 2.25 -1.51 -1.88 -2.62 116.25 112.85 1l5i h VAL 100 Ca 0.33 -1.10 0.06 0.00 -1.23 0.00 0.00 66.70 64.77 1l5i h VAL 100 Cb 2.07 1.46 -0.06 0.00 -2.13 0.00 0.00 31.29 32.63 1l5i h VAL 100 CO -0.00 0.34 0.60 0.50 -1.23 0.00 0.00 177.57 177.78 1l5i h LYS 101 N 0.26 1.03 -0.42 5.19 3.11 0.20 0.37 116.57 126.31 1l5i h LYS 101 Ca 0.07 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 1l5i h LYS 101 Cb 0.55 -0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 1l5i h LYS 101 CO 0.03 0.68 0.22 1.03 -2.81 0.00 0.00 179.45 178.60 1l5i h SER 102 N 1.06 0.33 0.19 4.20 0.87 -1.21 0.55 113.55 119.55 1l5i h SER 102 Ca 0.40 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.83 1l5i h SER 102 Cb 0.19 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1l5i h SER 102 CO -0.15 0.23 -0.55 0.22 -0.53 0.00 0.00 176.83 176.05 1l5i h TYR 103 N 0.44 0.48 -0.22 2.24 5.03 -0.88 -2.84 116.97 121.22 1l5i h TYR 103 Ca 0.18 -0.17 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1l5i h TYR 103 Cb 0.07 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 1l5i h TYR 103 CO -0.09 0.85 -0.06 0.82 -1.32 0.00 0.00 178.16 178.35 1l5i h ILE 104 N 0.30 1.17 0.00 1.81 2.04 0.39 -0.30 117.51 122.91 1l5i h ILE 104 Ca 0.00 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1l5i h ILE 104 Cb 1.06 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1l5i h ILE 104 CO 0.09 0.23 -0.18 -0.78 0.00 0.00 0.00 178.15 177.51 1l5i h ASP 105 N 0.33 0.00 0.00 1.72 3.58 -0.66 -3.32 116.42 118.06 1l5i h ASP 105 Ca 0.07 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.87 1l5i h ASP 105 Cb 0.32 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.38 1l5i h ASP 105 CO 0.01 0.18 2.75 0.29 -2.88 0.00 0.00 179.24 179.60 1l5i n LYS 106 N -3.56 2.22 -1.77 0.28 5.02 -0.12 -4.89 118.16 115.32 1l5i n LYS 106 Ca -0.01 -2.12 -0.24 0.00 -2.02 0.00 0.00 58.31 53.92 1l5i n LYS 106 Cb 0.33 -3.01 0.16 0.00 -0.02 0.00 0.00 35.03 32.48 1l5i n LYS 106 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1l5i n ASP 107 N 6.40 0.35 0.00 4.39 5.75 -1.25 -5.01 116.55 127.18 1l5i n ASP 107 Ca 0.52 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 1l5i n ASP 107 Cb 0.36 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 1l5i n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1l5i n GLY 108 N -2.14 0.30 2.46 6.12 0.00 -1.26 -5.00 105.19 105.67 1l5i n GLY 108 Ca 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.62 -4.13 1.61 8.00 -1.26 -4.75 116.55 110.40 1l5i n ASP 109 Ca 0.00 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 1l5i n ASP 109 Cb 0.00 -3.69 -0.10 0.00 -0.02 0.00 0.00 41.12 37.32 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 -2.92 0.08 -0.04 2.53 -7.23 -1.26 -4.25 120.40 107.30 1l5i s VAL 110 Ca 0.01 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1l5i s VAL 110 Cb -0.00 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1l5i s VAL 110 CO 0.47 -0.38 0.06 -0.22 -0.31 0.00 0.00 175.10 174.71 1l5i s LEU 111 N -3.05 3.82 -0.11 1.32 0.20 -0.92 -5.00 118.68 114.94 1l5i s LEU 111 Ca 0.25 0.17 0.03 0.00 0.69 0.00 0.00 54.13 55.27 1l5i s LEU 111 Cb 0.07 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 1l5i s LEU 111 CO 0.03 0.32 -0.23 -1.61 -0.29 0.00 0.00 176.35 174.57 1l5i s GLU 112 N -1.39 2.97 0.03 1.98 2.02 -1.26 -2.41 118.70 120.65 1l5i s GLU 112 Ca 0.19 -0.85 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 1l5i s GLU 112 Cb -0.12 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 1l5i s GLU 112 CO 0.09 0.11 0.03 -0.46 0.02 0.00 0.00 175.26 175.05 1l5i s TRP 113 N 0.51 0.27 0.42 1.61 -0.00 0.21 -5.02 118.94 116.95 1l5i s TRP 113 Ca -0.15 -0.60 0.00 0.00 -0.00 0.00 0.00 56.10 55.35 1l5i s TRP 113 Cb -0.17 -0.20 0.00 0.00 -0.00 0.00 0.00 33.47 33.10 1l5i s TRP 113 CO 0.05 -0.30 0.00 0.41 -0.00 0.00 0.00 176.95 177.11 1l5i n GLY 114 N 0.96 -2.28 3.05 5.86 0.00 -1.26 0.05 105.19 111.56 1l5i n GLY 114 Ca -0.20 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.80 1.62 0.45 2.61 2.01 -1.18 -4.53 115.64 113.83 1l5i s THR 115 Ca 0.00 -0.68 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 1l5i s THR 115 Cb 0.00 -1.49 -0.10 0.00 0.01 0.00 0.00 72.50 70.92 1l5i s THR 115 CO 0.00 0.47 0.96 0.12 -0.69 0.00 0.00 174.62 175.47 1l5i s PHE 116 N 1.24 3.35 -0.23 4.92 2.19 -1.26 -3.90 117.98 124.30 1l5i s PHE 116 Ca -0.00 1.56 -0.03 0.00 0.33 0.00 0.00 56.93 58.79 1l5i s PHE 116 Cb -0.14 -2.83 0.10 0.00 -1.31 0.00 0.00 43.02 38.84 1l5i s PHE 116 CO -0.07 -0.19 0.21 1.14 1.83 0.00 0.00 175.22 178.15 1l5i s GLN 117 N -3.45 0.20 0.39 10.12 -2.07 -1.26 -5.01 119.66 118.58 1l5i s GLN 117 Ca 0.61 0.04 -0.23 0.00 -1.82 0.00 0.00 55.36 53.96 1l5i s GLN 117 Cb -0.09 -1.16 -0.11 0.00 -1.09 0.00 0.00 33.01 30.56 1l5i s GLN 117 CO 0.19 -0.77 0.95 0.42 -1.32 0.00 0.00 175.29 174.76 1l5i s ILE 118 N 2.29 4.32 -0.06 3.63 1.01 -1.26 -4.99 121.20 126.14 1l5i s ILE 118 Ca 0.07 1.61 -0.24 0.00 0.00 0.00 0.00 60.65 62.09 1l5i s ILE 118 Cb -0.15 -3.75 -0.19 0.00 0.01 0.00 0.00 42.46 38.37 1l5i s ILE 118 CO -0.18 -0.15 0.99 -0.78 0.00 0.00 0.00 174.94 174.82 1l5i h ASP 119 N 2.37 -0.07 0.00 3.58 1.82 -2.01 -3.49 116.42 118.62 1l5i h ASP 119 Ca -0.48 -0.54 0.00 0.00 -0.39 0.00 0.00 57.03 55.62 1l5i h ASP 119 Cb 1.18 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1l5i h ASP 119 CO 0.62 0.55 0.00 0.61 -1.61 0.00 0.00 179.24 179.41 1l5i n GLY 120 N 0.69 2.72 0.08 -0.78 0.00 -1.26 -5.24 105.19 101.39 1l5i n GLY 120 Ca -0.08 -0.60 0.16 0.00 0.00 0.00 0.00 46.02 45.49 1l5i n GLY 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19