#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jil n ASN 3 N 0.00 -2.34 -0.16 8.00 4.13 -1.26 -4.84 115.26 118.79 1jil n ASN 3 Ca 0.00 0.25 -0.07 0.00 1.68 0.00 0.00 54.58 56.43 1jil n ASN 3 Cb 0.00 -2.22 0.01 0.00 -1.54 0.00 0.00 39.78 36.04 1jil n ASN 3 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1jil h VAL 4 N 0.00 1.13 -0.19 2.41 2.07 -1.99 -1.79 116.25 117.90 1jil h VAL 4 Ca -0.16 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1jil h VAL 4 Cb 0.79 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jil h VAL 4 CO 0.22 0.13 0.05 0.25 0.02 0.00 0.00 177.57 178.24 1jil h LEU 5 N 0.65 0.29 -0.92 2.57 5.85 -1.98 -1.42 115.31 120.34 1jil h LEU 5 Ca 0.17 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1jil h LEU 5 Cb -0.05 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1jil h LEU 5 CO -0.04 0.44 0.53 0.40 -0.34 0.00 0.00 178.44 179.44 1jil h ILE 6 N 0.13 1.26 -0.42 4.05 1.08 -1.95 -0.16 117.51 121.50 1jil h ILE 6 Ca 0.06 -0.61 -0.10 0.00 -0.39 0.00 0.00 64.86 63.82 1jil h ILE 6 Cb 0.27 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 1jil h ILE 6 CO 0.00 0.28 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.25 1jil h GLU 7 N 1.28 0.79 -0.38 2.37 5.08 -1.20 -1.63 114.58 120.89 1jil h GLU 7 Ca 0.33 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1jil h GLU 7 Cb -0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jil h GLU 7 CO -0.06 0.90 0.11 0.22 -1.00 0.00 0.00 179.01 179.19 1jil h ASP 8 N 0.70 0.56 -0.74 1.42 3.58 -0.46 -1.38 116.42 120.10 1jil h ASP 8 Ca 0.11 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1jil h ASP 8 Cb 0.66 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1jil h ASP 8 CO 0.05 0.62 0.41 -0.07 -2.88 0.00 0.00 179.24 177.36 1jil h LEU 9 N 0.46 0.92 -0.56 2.28 4.07 -0.93 -1.55 115.31 120.01 1jil h LEU 9 Ca 0.12 -0.10 -0.16 0.00 0.08 0.00 0.00 57.88 57.83 1jil h LEU 9 Cb 0.27 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1jil h LEU 9 CO -0.00 0.75 -0.70 0.11 -1.08 0.00 0.00 178.44 177.52 1jil h LYS 10 N 1.02 0.15 -0.54 1.13 1.57 -1.17 -0.80 116.57 117.93 1jil h LYS 10 Ca 0.26 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1jil h LYS 10 Cb 0.03 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1jil h LYS 10 CO -0.04 0.79 -0.07 2.35 -0.57 0.00 0.00 179.45 181.91 1jil h TRP 11 N 0.11 1.08 0.00 -1.35 7.01 -0.98 -2.18 115.95 119.63 1jil h TRP 11 Ca -0.02 -0.20 0.00 0.00 2.11 0.00 0.00 58.89 60.78 1jil h TRP 11 Cb 1.24 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.02 1jil h TRP 11 CO 0.02 0.99 0.00 0.54 -2.79 0.00 0.00 178.44 177.19 1jil n ARG 12 N -4.16 0.15 -2.73 2.65 1.74 -0.61 -4.91 116.66 108.79 1jil n ARG 12 Ca 0.02 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.98 1jil n ARG 12 Cb 0.37 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.33 1jil n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jil n GLY 13 N 1.16 -0.21 0.16 -0.13 0.00 -0.64 -4.59 105.19 100.94 1jil n GLY 13 Ca 0.09 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1jil n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jil n LEU 14 N -2.89 0.80 -4.44 0.99 4.77 -0.40 -4.72 117.00 111.11 1jil n LEU 14 Ca -0.10 -0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.39 1jil n LEU 14 Cb 0.60 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1jil n LEU 14 CO 0.33 0.16 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.57 1jil s ILE 15 N -2.63 3.84 0.00 -0.08 1.01 -1.26 -4.24 121.20 117.84 1jil s ILE 15 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1jil s ILE 15 Cb 0.19 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.93 1jil s ILE 15 CO 0.56 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.94 1jil n TYR 16 N 4.15 0.00 -3.87 3.97 9.36 -0.02 -4.85 117.16 125.90 1jil n TYR 16 Ca -0.17 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.72 1jil n TYR 16 Cb 0.52 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.18 1jil n TYR 16 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1jil s GLN 17 N 0.00 3.48 -0.01 2.98 -0.21 -1.23 -4.92 119.66 119.74 1jil s GLN 17 Ca 0.00 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.09 1jil s GLN 17 Cb 0.00 -3.05 0.01 0.00 1.00 0.00 0.00 33.01 30.97 1jil s GLN 17 CO 0.00 0.63 -0.02 -0.65 -2.12 0.00 0.00 175.29 173.13 1jil s GLN 18 N -2.18 0.29 0.25 2.91 -0.21 -1.26 -1.35 119.66 118.11 1jil s GLN 18 Ca 0.31 -0.04 0.06 0.00 0.02 0.00 0.00 55.36 55.72 1jil s GLN 18 Cb -0.13 -0.36 0.28 0.00 1.00 0.00 0.00 33.01 33.81 1jil s GLN 18 CO 0.22 -0.02 1.57 1.79 -2.12 0.00 0.00 175.29 176.74 1jil h THR 19 N 5.57 1.41 -1.43 -0.19 1.35 -1.81 -3.42 112.91 114.40 1jil h THR 19 Ca -0.33 -2.04 -0.13 0.00 -0.55 0.00 0.00 66.41 63.36 1jil h THR 19 Cb 1.17 2.06 -0.25 0.00 -1.73 0.00 0.00 68.15 69.40 1jil h THR 19 CO 0.49 0.60 -0.50 -0.62 -0.25 0.00 0.00 175.52 175.24 1jil s ASP 20 N -6.88 -0.37 0.11 5.36 3.68 -1.26 -5.02 116.67 112.28 1jil s ASP 20 Ca -0.03 -0.42 -0.23 0.00 2.13 0.00 0.00 52.55 53.99 1jil s ASP 20 Cb 0.12 1.43 -0.08 0.00 -1.45 0.00 0.00 42.92 42.94 1jil s ASP 20 CO 0.79 -0.30 1.69 -0.08 0.13 0.00 0.00 175.17 177.40 1jil h GLU 21 N 7.82 -0.16 -0.38 4.34 4.81 -1.98 -1.33 114.58 127.70 1jil h GLU 21 Ca -0.03 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1jil h GLU 21 Cb 1.14 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1jil h GLU 21 CO 0.20 -0.11 -0.14 0.37 -0.73 0.00 0.00 179.01 178.60 1jil h GLN 22 N -0.17 0.76 -0.47 1.92 4.15 -1.99 -2.55 115.11 116.76 1jil h GLN 22 Ca 0.04 -0.32 0.07 0.00 0.77 0.00 0.00 58.65 59.22 1jil h GLN 22 Cb 0.22 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.82 1jil h GLN 22 CO -0.11 0.93 0.12 0.78 -1.93 0.00 0.00 178.83 178.62 1jil h GLY 23 N 0.56 0.58 0.92 2.39 0.00 -1.95 -0.43 103.07 105.15 1jil h GLY 23 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1jil h GLY 23 CO 0.05 -0.03 0.08 -2.22 0.00 0.00 0.00 176.54 174.42 1jil h ILE 24 N 0.27 1.12 -0.60 2.60 2.04 -1.17 -0.83 117.51 120.92 1jil h ILE 24 Ca 0.23 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1jil h ILE 24 Cb 0.27 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1jil h ILE 24 CO -0.27 0.11 0.35 -0.08 0.00 0.00 0.00 178.15 178.26 1jil h GLU 25 N 0.15 0.67 -0.59 2.37 4.81 -1.13 0.34 114.58 121.19 1jil h GLU 25 Ca 0.06 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1jil h GLU 25 Cb 0.10 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1jil h GLU 25 CO -0.01 0.44 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.25 1jil h ASP 26 N 0.69 1.04 0.13 1.04 3.45 -0.91 -1.45 116.42 120.42 1jil h ASP 26 Ca 0.25 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 1jil h ASP 26 Cb 0.07 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.56 1jil h ASP 26 CO -0.12 1.10 -0.06 0.25 -1.57 0.00 0.00 179.24 178.83 1jil h LEU 27 N 0.95 -0.15 -1.88 1.55 6.46 -0.67 -0.07 115.31 121.50 1jil h LEU 27 Ca 0.16 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1jil h LEU 27 Cb 0.58 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1jil h LEU 27 CO 0.03 -0.05 -0.12 -0.07 -0.62 0.00 0.00 178.44 177.61 1jil h LEU 28 N -0.24 0.00 0.03 2.25 3.38 -0.83 -1.99 115.31 117.91 1jil h LEU 28 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1jil h LEU 28 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1jil h LEU 28 CO 0.03 0.12 -1.30 0.78 0.09 0.00 0.00 178.44 178.16 1jil h ASN 29 N 0.00 0.11 0.72 -0.43 2.35 -0.92 -3.38 115.58 114.03 1jil h ASN 29 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1jil h ASN 29 Cb 0.25 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1jil h ASN 29 CO 0.02 1.11 -1.01 2.29 -1.65 0.00 0.00 177.43 178.19 1jil n LYS 30 N -3.31 0.45 -3.96 0.81 2.85 -0.07 -4.82 118.16 110.12 1jil n LYS 30 Ca -0.08 0.05 -0.09 0.00 -1.05 0.00 0.00 58.31 57.14 1jil n LYS 30 Cb 0.99 -1.70 -0.03 0.00 -0.65 0.00 0.00 35.03 33.64 1jil n LYS 30 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1jil s GLU 31 N -3.29 1.73 -0.22 -1.58 -1.05 -0.78 -5.09 118.70 108.43 1jil s GLU 31 Ca 0.02 -1.28 -0.24 0.00 -0.15 0.00 0.00 54.97 53.32 1jil s GLU 31 Cb 0.12 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.32 1jil s GLU 31 CO 0.79 -0.75 0.79 -0.65 0.95 0.00 0.00 175.26 176.39 1jil s GLN 32 N -3.66 4.22 0.03 -4.83 -0.21 -1.26 -4.62 119.66 109.32 1jil s GLN 32 Ca 0.20 0.89 0.01 0.00 0.02 0.00 0.00 55.36 56.49 1jil s GLN 32 Cb -0.02 -3.62 -0.04 0.00 1.00 0.00 0.00 33.01 30.33 1jil s GLN 32 CO 0.10 -0.42 0.07 0.08 -2.12 0.00 0.00 175.29 173.01 1jil s VAL 33 N 2.49 4.60 -0.16 1.09 1.01 -1.26 -4.93 120.40 123.23 1jil s VAL 33 Ca 0.34 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1jil s VAL 33 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1jil s VAL 33 CO 0.09 0.25 0.02 -0.89 0.00 0.00 0.00 175.10 174.57 1jil s THR 34 N -1.27 4.40 0.10 3.92 2.01 -1.26 -0.67 115.64 122.87 1jil s THR 34 Ca 0.26 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1jil s THR 34 Cb -0.12 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1jil s THR 34 CO 0.17 0.49 -0.03 -1.48 -0.69 0.00 0.00 174.62 173.08 1jil s LEU 35 N 0.26 2.33 0.06 4.42 2.34 -0.30 -1.50 118.68 126.30 1jil s LEU 35 Ca 0.01 -1.06 -0.00 0.00 0.06 0.00 0.00 54.13 53.13 1jil s LEU 35 Cb -0.13 0.06 -0.04 0.00 -0.56 0.00 0.00 46.19 45.52 1jil s LEU 35 CO 0.01 -0.56 -0.04 -0.72 -1.06 0.00 0.00 176.35 173.99 1jil s TYR 36 N -3.77 0.61 -0.00 3.48 1.13 -0.40 0.19 117.35 118.59 1jil s TYR 36 Ca 0.14 -1.02 -0.02 0.00 -1.41 0.00 0.00 57.07 54.77 1jil s TYR 36 Cb 0.06 -0.42 -0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1jil s TYR 36 CO -0.04 -0.32 0.03 0.00 -2.51 0.00 0.00 175.55 172.71 1jil s GLY 38 N -0.56 1.72 -0.06 0.00 0.00 -1.26 -0.94 107.32 106.21 1jil s GLY 38 Ca -0.06 -1.81 -0.03 0.00 0.00 0.00 0.00 44.72 42.82 1jil s GLY 38 CO -0.00 -1.88 0.13 0.00 0.00 0.00 0.00 173.10 171.35 1jil s ALA 39 N -2.75 -0.22 0.12 3.20 0.00 0.10 -4.93 121.76 117.27 1jil s ALA 39 Ca 0.27 0.57 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 1jil s ALA 39 Cb -0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 1jil s ALA 39 CO 0.11 -0.13 0.52 -0.51 0.00 0.00 0.00 175.76 175.75 1jil s ASP 40 N 0.96 6.81 -1.39 0.00 1.01 -1.26 -0.66 116.67 122.14 1jil s ASP 40 Ca -0.07 1.04 -0.12 0.00 0.71 0.00 0.00 52.55 54.11 1jil s ASP 40 Cb -0.10 -2.27 0.09 0.00 1.01 0.00 0.00 42.92 41.65 1jil s ASP 40 CO -0.05 0.14 2.13 -0.81 0.21 0.00 0.00 175.17 176.80 1jil n PRO 41 N 0.94 3.27 0.00 8.23 -0.04 -1.26 -4.67 135.00 141.46 1jil n PRO 41 Ca -0.07 -2.98 0.13 0.00 -0.04 0.00 0.00 63.50 60.55 1jil n PRO 41 Cb 0.52 -3.10 0.38 0.00 -0.04 0.00 0.00 33.50 31.27 1jil n PRO 41 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jil n THR 42 N 4.19 0.00 -3.91 0.52 -2.24 -1.26 -4.77 114.28 106.81 1jil n THR 42 Ca 0.49 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.95 1jil n THR 42 Cb 0.37 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 1jil n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jil s ALA 43 N -2.23 -0.53 -1.20 6.98 0.00 -1.26 -5.04 121.76 118.47 1jil s ALA 43 Ca 0.30 -0.63 0.11 0.00 0.00 0.00 0.00 51.96 51.74 1jil s ALA 43 Cb 0.20 0.96 0.47 0.00 0.00 0.00 0.00 23.12 24.76 1jil s ALA 43 CO 0.42 -0.85 1.32 -0.40 0.00 0.00 0.00 175.76 176.25 1jil n ASP 44 N -0.37 3.32 -3.69 0.00 5.75 -1.26 -4.71 116.55 115.60 1jil n ASP 44 Ca -0.05 -2.32 -0.10 0.00 -0.01 0.00 0.00 54.79 52.31 1jil n ASP 44 Cb 0.62 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 40.17 1jil n ASP 44 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1jil s SER 45 N -0.72 -0.16 0.43 -1.12 0.15 -1.26 -3.73 113.70 107.28 1jil s SER 45 Ca 0.33 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.68 1jil s SER 45 Cb 0.22 0.44 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1jil s SER 45 CO 0.15 -0.80 0.61 -0.76 1.20 0.00 0.00 173.24 173.64 1jil s LEU 46 N -2.69 3.67 0.34 3.45 1.43 -1.26 -4.97 118.68 118.65 1jil s LEU 46 Ca 0.02 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1jil s LEU 46 Cb 0.02 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 1jil s LEU 46 CO -0.10 -0.73 0.08 -1.38 0.23 0.00 0.00 176.35 174.44 1jil s HIS 47 N -2.44 1.88 0.19 0.29 -3.43 -1.26 -1.84 115.29 108.69 1jil s HIS 47 Ca 0.51 -1.06 0.29 0.00 -0.80 0.00 0.00 55.06 54.00 1jil s HIS 47 Cb -0.10 -1.23 1.58 0.00 -1.43 0.00 0.00 32.58 31.40 1jil s HIS 47 CO 0.35 -0.09 1.88 -0.84 -2.00 0.00 0.00 174.74 174.03 1jil h ILE 48 N 2.04 0.00 0.00 -5.38 3.07 -1.56 0.24 117.51 115.91 1jil h ILE 48 Ca -0.39 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.02 1jil h ILE 48 Cb 1.25 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 1jil h ILE 48 CO 0.66 0.00 0.00 1.23 -1.05 0.00 0.00 178.15 178.99 1jil h GLY 49 N 0.00 0.00 0.88 0.16 0.00 -1.90 -2.59 103.07 99.61 1jil h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jil h GLY 49 CO 0.00 0.00 -0.76 1.42 0.00 0.00 0.00 176.54 177.20 1jil n HIS 50 N -2.94 0.31 0.09 5.60 8.25 0.07 -4.54 115.22 122.06 1jil n HIS 50 Ca 0.01 0.09 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 1jil n HIS 50 Cb 0.29 -0.47 -0.08 0.00 1.12 0.00 0.00 29.99 30.85 1jil n HIS 50 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1jil h LEU 51 N 0.00 -0.16 -0.52 2.41 5.85 -1.51 -3.34 115.31 118.04 1jil h LEU 51 Ca 0.00 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1jil h LEU 51 Cb 0.68 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 1jil h LEU 51 CO 0.00 0.05 -0.08 0.25 -0.34 0.00 0.00 178.44 178.31 1jil h LEU 52 N -0.35 -0.39 -1.20 2.25 5.85 -1.80 -0.30 115.31 119.37 1jil h LEU 52 Ca -0.02 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1jil h LEU 52 Cb 0.28 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1jil h LEU 52 CO 0.03 -0.14 0.30 -0.65 -0.34 0.00 0.00 178.44 177.64 1jil h PRO 53 N 0.04 0.86 -0.11 5.25 0.11 -1.89 -0.61 132.00 135.65 1jil h PRO 53 Ca 0.26 -0.10 -0.22 0.00 0.11 0.00 0.00 66.00 66.05 1jil h PRO 53 Cb 0.40 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.35 1jil h PRO 53 CO -0.50 0.66 -0.80 0.74 -0.21 0.00 0.00 178.00 177.88 1jil h PHE 54 N 0.86 0.88 -0.58 0.65 -1.00 -1.49 -2.18 116.94 114.08 1jil h PHE 54 Ca 0.21 -0.40 -0.07 0.00 2.81 0.00 0.00 57.97 60.52 1jil h PHE 54 Cb 0.08 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1jil h PHE 54 CO 0.01 1.21 0.07 -0.07 -1.61 0.00 0.00 178.31 177.92 1jil h LEU 55 N 0.43 0.91 -1.62 1.54 3.38 -0.87 -1.84 115.31 117.25 1jil h LEU 55 Ca -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1jil h LEU 55 Cb 1.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1jil h LEU 55 CO 0.15 0.93 0.04 0.74 0.09 0.00 0.00 178.44 180.39 1jil h THR 56 N 0.90 1.11 -0.22 0.22 2.02 -0.97 0.15 112.91 116.12 1jil h THR 56 Ca 0.18 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 1jil h THR 56 Cb 0.42 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1jil h THR 56 CO 0.01 0.13 -0.19 -0.07 0.37 0.00 0.00 175.52 175.77 1jil h LEU 57 N 0.28 0.38 -1.23 2.58 3.38 -0.68 -2.23 115.31 117.79 1jil h LEU 57 Ca 0.07 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1jil h LEU 57 Cb 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1jil h LEU 57 CO -0.00 0.59 -0.32 0.03 0.09 0.00 0.00 178.44 178.83 1jil h ARG 58 N 0.35 0.11 -0.24 1.13 2.47 -0.63 -1.31 114.38 116.26 1jil h ARG 58 Ca 0.06 -0.04 -0.15 0.00 -1.26 0.00 0.00 59.98 58.59 1jil h ARG 58 Cb 0.54 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1jil h ARG 58 CO 0.04 0.42 -0.47 0.00 0.56 0.00 0.00 179.97 180.51 1jil h ARG 59 N 0.10 0.64 -0.49 0.04 3.08 -0.81 -1.59 114.38 115.35 1jil h ARG 59 Ca 0.01 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.64 1jil h ARG 59 Cb 0.62 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1jil h ARG 59 CO 0.04 0.97 0.09 0.74 -1.07 0.00 0.00 179.97 180.74 1jil h PHE 60 N 0.51 0.86 -0.87 3.04 -1.00 -1.04 -2.78 116.94 115.66 1jil h PHE 60 Ca 0.03 -0.12 0.04 0.00 2.81 0.00 0.00 57.97 60.73 1jil h PHE 60 Cb 1.02 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 40.29 1jil h PHE 60 CO 0.05 0.79 0.57 0.37 -1.61 0.00 0.00 178.31 178.47 1jil h GLN 61 N 0.69 1.05 -0.25 1.51 4.15 -1.05 -0.43 115.11 120.78 1jil h GLN 61 Ca 0.15 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.58 1jil h GLN 61 Cb 0.39 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1jil h GLN 61 CO 0.01 0.69 0.22 1.49 -1.93 0.00 0.00 178.83 179.31 1jil h GLU 62 N 1.08 0.00 -0.65 1.69 4.81 -1.00 -0.56 114.58 119.95 1jil h GLU 62 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1jil h GLU 62 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1jil h GLU 62 CO -0.10 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 178.90 1jil n HIS 63 N -4.08 1.49 -0.13 0.92 8.25 -0.19 -4.92 115.22 116.57 1jil n HIS 63 Ca 0.03 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 1jil n HIS 63 Cb 0.37 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1jil n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jil n GLY 64 N 1.05 0.68 3.92 -1.41 0.00 -0.22 -5.06 105.19 104.15 1jil n GLY 64 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1jil n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jil s HIS 65 N -2.17 3.47 -0.24 1.61 3.76 -1.11 -4.67 115.29 115.93 1jil s HIS 65 Ca 0.00 0.57 -0.08 0.00 -0.15 0.00 0.00 55.06 55.40 1jil s HIS 65 Cb 0.00 -2.23 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1jil s HIS 65 CO 0.00 -0.23 0.09 0.50 -0.85 0.00 0.00 174.74 174.26 1jil s ARG 66 N -4.61 3.78 -0.02 1.40 3.52 0.15 -4.01 118.95 119.16 1jil s ARG 66 Ca 0.46 -0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 55.55 1jil s ARG 66 Cb -0.10 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1jil s ARG 66 CO 0.41 -0.08 0.28 -1.25 -0.81 0.00 0.00 175.30 173.85 1jil s PRO 67 N 1.36 3.64 -0.13 5.12 0.04 -1.26 -1.15 135.00 142.63 1jil s PRO 67 Ca 0.06 0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.16 1jil s PRO 67 Cb -0.15 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1jil s PRO 67 CO 0.04 0.69 -0.18 0.42 0.04 0.00 0.00 177.00 178.02 1jil s ILE 68 N -1.18 2.58 -0.20 0.56 1.01 0.13 -2.25 121.20 121.85 1jil s ILE 68 Ca 0.24 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 1jil s ILE 68 Cb -0.14 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 1jil s ILE 68 CO 0.12 0.54 0.00 -0.69 0.00 0.00 0.00 174.94 174.91 1jil s VAL 69 N 0.48 3.96 -0.12 2.92 1.01 -0.23 -1.97 120.40 126.44 1jil s VAL 69 Ca -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1jil s VAL 69 Cb -0.16 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1jil s VAL 69 CO 0.05 0.43 -0.08 -0.22 0.00 0.00 0.00 175.10 175.28 1jil s LEU 70 N 1.02 3.04 -0.18 3.92 0.20 -0.12 -1.22 118.68 125.35 1jil s LEU 70 Ca 0.02 -0.16 -0.05 0.00 0.69 0.00 0.00 54.13 54.62 1jil s LEU 70 Cb -0.14 -1.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.89 1jil s LEU 70 CO 0.02 0.23 0.01 -0.63 -0.29 0.00 0.00 176.35 175.68 1jil s ILE 71 N 0.00 4.21 -1.51 6.68 -1.09 -0.03 -0.72 121.20 128.74 1jil s ILE 71 Ca -0.01 -0.24 -0.11 0.00 -2.23 0.00 0.00 60.65 58.07 1jil s ILE 71 Cb -0.14 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1jil s ILE 71 CO 0.03 0.46 2.57 0.61 -1.23 0.00 0.00 174.94 177.38 1jil n GLY 72 N 3.77 4.48 0.33 6.18 0.00 0.17 -2.09 105.19 118.02 1jil n GLY 72 Ca -0.17 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.26 1jil n GLY 72 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jil h GLY 73 N 7.81 0.68 0.25 -0.02 0.00 -1.90 0.38 103.07 110.27 1jil h GLY 73 Ca 0.72 -0.23 -0.22 0.00 0.00 0.00 0.00 47.33 47.59 1jil h GLY 73 CO 1.76 0.20 -1.19 -1.33 0.00 0.00 0.00 176.54 175.98 1jil h GLY 74 N 0.59 0.13 2.00 4.60 0.00 -1.83 -3.37 103.07 105.18 1jil h GLY 74 Ca 0.22 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1jil h GLY 74 CO -0.06 0.28 -0.43 -0.91 0.00 0.00 0.00 176.54 175.42 1jil h THR 75 N -0.66 1.06 0.00 4.70 1.35 -1.89 -2.60 112.91 114.87 1jil h THR 75 Ca -0.29 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1jil h THR 75 Cb 1.48 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 1jil h THR 75 CO -0.06 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 1jil n GLY 76 N 0.13 -0.96 0.21 5.82 0.00 0.13 -0.62 105.19 109.90 1jil n GLY 76 Ca -0.01 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1jil n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jil n MET 77 N -1.90 1.06 0.00 1.61 2.81 -0.98 -4.34 117.12 115.38 1jil n MET 77 Ca 0.01 -0.42 0.00 0.00 -1.81 0.00 0.00 57.70 55.48 1jil n MET 77 Cb 0.13 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1jil n MET 77 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1jil n ILE 78 N -0.60 0.00 -0.16 2.02 2.08 0.21 -4.72 119.36 118.19 1jil n ILE 78 Ca 0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1jil n ILE 78 Cb 0.27 -0.97 0.00 0.00 -0.75 0.00 0.00 39.64 38.19 1jil n ILE 78 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1jil n GLY 79 N 3.24 -0.25 3.68 7.39 0.00 -0.54 -4.88 105.19 113.83 1jil n GLY 79 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1jil n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jil s ASP 80 N 0.00 7.22 0.06 1.61 -1.08 -1.26 -4.83 116.67 118.39 1jil s ASP 80 Ca 0.00 1.54 0.27 0.00 -0.52 0.00 0.00 52.55 53.84 1jil s ASP 80 Cb 0.00 -2.56 0.83 0.00 -1.46 0.00 0.00 42.92 39.73 1jil s ASP 80 CO 0.00 -0.48 1.67 -0.81 0.52 0.00 0.00 175.17 176.07 1jil n PRO 81 N 5.14 0.10 -1.64 4.34 -0.04 -1.26 -4.88 135.00 136.75 1jil n PRO 81 Ca 0.09 0.06 -0.59 0.00 -0.04 0.00 0.00 63.50 63.02 1jil n PRO 81 Cb 0.48 -1.59 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 1jil n PRO 81 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jil n SER 82 N -1.75 1.99 0.00 3.54 7.64 -1.26 -1.93 113.62 121.85 1jil n SER 82 Ca 0.06 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1jil n SER 82 Cb 0.37 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1jil n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jil n GLY 83 N 4.80 2.35 3.79 0.23 0.00 -1.18 -5.00 105.19 110.17 1jil n GLY 83 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1jil n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jil s LYS 84 N 0.00 2.31 0.00 1.61 1.02 -0.81 -5.02 119.74 118.85 1jil s LYS 84 Ca 0.00 0.93 0.08 0.00 0.02 0.00 0.00 55.97 57.00 1jil s LYS 84 Cb 0.00 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.32 1jil s LYS 84 CO 0.00 -1.54 0.40 -1.13 -0.92 0.00 0.00 175.35 172.16 1jil n SER 85 N -3.42 0.55 -4.25 2.83 3.41 -1.26 -4.38 113.62 107.09 1jil n SER 85 Ca 0.08 -0.77 -0.22 0.00 -0.26 0.00 0.00 58.87 57.70 1jil n SER 85 Cb 0.54 0.89 -0.12 0.00 -0.26 0.00 0.00 64.21 65.26 1jil n SER 85 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1jil s GLU 86 N -1.67 1.02 0.33 4.33 8.01 -1.26 -4.75 118.70 124.70 1jil s GLU 86 Ca 0.04 -1.10 -0.29 0.00 0.01 0.00 0.00 54.97 53.63 1jil s GLU 86 Cb 0.06 -1.19 -0.11 0.00 -4.31 0.00 0.00 34.13 28.58 1jil s GLU 86 CO 0.32 0.27 1.44 -1.21 0.01 0.00 0.00 175.26 176.09 1jil s GLU 87 N -1.87 4.21 0.21 1.61 0.41 -1.26 -4.99 118.70 117.02 1jil s GLU 87 Ca 0.04 2.42 -0.09 0.00 -0.41 0.00 0.00 54.97 56.92 1jil s GLU 87 Cb -0.10 -3.03 -0.07 0.00 -1.78 0.00 0.00 34.13 29.15 1jil s GLU 87 CO 0.04 -0.42 0.52 1.03 -0.49 0.00 0.00 175.26 175.93 1jil s ARG 88 N -1.47 3.79 0.33 1.61 0.52 -1.26 -5.06 118.95 117.41 1jil s ARG 88 Ca 0.54 0.25 -0.26 0.00 -0.52 0.00 0.00 55.73 55.74 1jil s ARG 88 Cb -0.44 -2.71 -0.10 0.00 0.52 0.00 0.00 34.95 32.22 1jil s ARG 88 CO 0.54 0.36 0.95 0.54 0.02 0.00 0.00 175.30 177.71 1jil s VAL 89 N -1.75 4.17 0.32 3.52 0.11 -1.26 -5.01 120.40 120.51 1jil s VAL 89 Ca 0.45 1.79 -0.29 0.00 -2.93 0.00 0.00 61.98 61.01 1jil s VAL 89 Cb -0.12 -3.99 -0.10 0.00 -1.53 0.00 0.00 36.38 30.64 1jil s VAL 89 CO 0.21 0.14 1.28 -0.76 -3.33 0.00 0.00 175.10 172.64 1jil s LEU 90 N -2.08 4.44 0.28 2.54 1.43 -1.26 -5.02 118.68 119.01 1jil s LEU 90 Ca 0.51 2.63 -0.04 0.00 -1.03 0.00 0.00 54.13 56.20 1jil s LEU 90 Cb -0.19 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 1jil s LEU 90 CO 0.24 -0.48 0.53 -1.10 0.23 0.00 0.00 176.35 175.77 1jil s GLN 91 N -1.75 3.60 0.53 1.70 -0.21 -1.26 -5.08 119.66 117.20 1jil s GLN 91 Ca 0.48 -0.08 -0.17 0.00 0.02 0.00 0.00 55.36 55.62 1jil s GLN 91 Cb -0.39 -2.68 -0.07 0.00 1.00 0.00 0.00 33.01 30.88 1jil s GLN 91 CO 0.51 0.24 1.01 0.95 -2.12 0.00 0.00 175.29 175.88 1jil s THR 92 N -2.07 4.21 0.27 -0.19 -4.23 -1.26 -4.90 115.64 107.47 1jil s THR 92 Ca 0.43 1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 62.02 1jil s THR 92 Cb -0.11 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.43 1jil s THR 92 CO 0.30 -0.57 1.87 -0.33 -0.54 0.00 0.00 174.62 175.36 1jil h GLU 93 N 0.86 1.09 0.00 3.99 4.39 -1.99 -1.15 114.58 121.77 1jil h GLU 93 Ca -0.47 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.06 1jil h GLU 93 Cb 1.20 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1jil h GLU 93 CO 0.60 0.72 -0.50 0.93 -1.16 0.00 0.00 179.01 179.59 1jil h GLU 94 N 1.12 0.00 -0.09 2.33 4.39 -1.99 -0.66 114.58 119.68 1jil h GLU 94 Ca 0.44 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.90 1jil h GLU 94 Cb 0.22 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1jil h GLU 94 CO -0.19 0.50 -0.88 0.37 -1.16 0.00 0.00 179.01 177.65 1jil h GLN 95 N 0.00 0.73 -0.74 2.33 5.75 -1.73 -2.10 115.11 119.34 1jil h GLN 95 Ca -0.01 -0.67 -0.03 0.00 -0.15 0.00 0.00 58.65 57.80 1jil h GLN 95 Cb 0.95 0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 1jil h GLN 95 CO 0.07 1.26 0.34 0.28 -2.65 0.00 0.00 178.83 178.13 1jil h VAL 96 N 0.46 1.24 -0.68 2.39 2.07 -1.04 0.81 116.25 121.50 1jil h VAL 96 Ca -0.08 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1jil h VAL 96 Cb 1.52 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1jil h VAL 96 CO 0.18 0.30 0.44 0.44 0.02 0.00 0.00 177.57 178.94 1jil h ASP 97 N 1.05 0.74 -0.23 0.57 3.45 -1.08 0.49 116.42 121.41 1jil h ASP 97 Ca 0.25 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.69 1jil h ASP 97 Cb 0.15 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 1jil h ASP 97 CO -0.03 0.53 0.08 0.50 -1.57 0.00 0.00 179.24 178.75 1jil h LYS 98 N 0.88 0.35 -0.36 3.56 3.64 -0.64 -2.62 116.57 121.38 1jil h LYS 98 Ca 0.26 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1jil h LYS 98 Cb -0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1jil h LYS 98 CO -0.08 0.42 0.24 -0.91 -2.27 0.00 0.00 179.45 176.85 1jil h ASN 99 N 0.21 0.41 -0.89 4.20 -0.26 -0.35 -2.43 115.58 116.47 1jil h ASN 99 Ca 0.07 -0.01 0.15 0.00 -0.56 0.00 0.00 56.30 55.96 1jil h ASN 99 Cb 0.21 -0.10 -0.10 0.00 -1.06 0.00 0.00 38.32 37.27 1jil h ASN 99 CO -0.00 0.30 0.48 0.40 -1.06 0.00 0.00 177.43 177.54 1jil h ILE 100 N 0.49 0.73 -0.63 2.81 1.08 -0.81 -0.70 117.51 120.47 1jil h ILE 100 Ca 0.13 -0.23 -0.07 0.00 -0.39 0.00 0.00 64.86 64.30 1jil h ILE 100 Cb -0.06 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.67 1jil h ILE 100 CO -0.03 0.12 0.11 -0.08 -0.69 0.00 0.00 178.15 177.58 1jil h GLU 101 N 0.67 1.02 -0.03 2.37 4.81 -1.07 0.29 114.58 122.64 1jil h GLU 101 Ca 0.49 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1jil h GLU 101 Cb 0.70 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1jil h GLU 101 CO -0.36 0.94 -0.10 0.78 -0.73 0.00 0.00 179.01 179.53 1jil h GLY 102 N 1.04 0.14 1.73 1.92 0.00 -0.81 -3.07 103.07 104.02 1jil h GLY 102 Ca 0.20 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1jil h GLY 102 CO 0.01 0.16 -0.15 -2.22 0.00 0.00 0.00 176.54 174.33 1jil h ILE 103 N -0.44 1.21 -0.60 2.60 2.04 -1.19 -2.76 117.51 118.37 1jil h ILE 103 Ca -0.00 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1jil h ILE 103 Cb 0.72 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1jil h ILE 103 CO 0.02 0.30 0.33 -1.28 0.00 0.00 0.00 178.15 177.52 1jil h SER 104 N 0.31 0.75 -0.77 1.72 0.87 -0.95 -1.93 113.55 113.54 1jil h SER 104 Ca 0.06 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1jil h SER 104 Cb 0.46 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1jil h SER 104 CO 0.03 0.62 0.48 0.11 -0.53 0.00 0.00 176.83 177.55 1jil h LYS 105 N 0.81 1.04 -0.05 2.24 1.57 -1.39 -1.81 116.57 118.97 1jil h LYS 105 Ca 0.21 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1jil h LYS 105 Cb 0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1jil h LYS 105 CO -0.03 0.71 -0.52 1.96 -0.57 0.00 0.00 179.45 181.00 1jil h GLN 106 N 1.06 0.15 -0.46 3.15 4.20 -1.31 -3.01 115.11 118.89 1jil h GLN 106 Ca 0.28 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.77 1jil h GLN 106 Cb -0.07 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1jil h GLN 106 CO -0.06 0.63 -0.25 0.52 -0.67 0.00 0.00 178.83 179.00 1jil h MET 107 N 0.12 0.99 0.00 1.46 2.86 -0.58 -2.54 114.93 117.23 1jil h MET 107 Ca 0.00 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1jil h MET 107 Cb 0.95 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1jil h MET 107 CO 0.08 1.11 0.00 0.45 1.06 0.00 0.00 176.91 179.61 1jil h HIS 108 N 0.84 0.00 0.00 -0.22 3.86 -1.26 -0.58 115.15 117.79 1jil h HIS 108 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1jil h HIS 108 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1jil h HIS 108 CO 0.05 0.00 -1.25 -1.71 0.86 0.00 0.00 177.93 175.88 1jil n ASN 109 N -2.52 0.63 -0.04 2.45 2.85 -0.97 -4.30 115.26 113.36 1jil n ASN 109 Ca -0.01 0.23 -0.11 0.00 -0.11 0.00 0.00 54.58 54.58 1jil n ASN 109 Cb 0.08 0.84 -0.14 0.00 1.24 0.00 0.00 39.78 41.80 1jil n ASN 109 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1jil n ILE 110 N -2.55 1.58 -4.35 -1.44 5.41 -0.32 -4.96 119.36 112.73 1jil n ILE 110 Ca -0.01 -0.78 -0.20 0.00 1.00 0.00 0.00 62.75 62.76 1jil n ILE 110 Cb 0.55 -1.01 -0.10 0.00 -0.71 0.00 0.00 39.64 38.37 1jil n ILE 110 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1jil s PHE 111 N -2.56 1.80 -0.60 1.39 0.40 -0.64 -5.03 117.98 112.73 1jil s PHE 111 Ca -0.09 -0.51 -0.17 0.00 -0.60 0.00 0.00 56.93 55.56 1jil s PHE 111 Cb 0.07 -0.85 0.13 0.00 0.51 0.00 0.00 43.02 42.89 1jil s PHE 111 CO 0.81 0.38 0.61 -2.00 0.70 0.00 0.00 175.22 175.71 1jil s GLU 112 N -3.30 3.09 0.53 0.44 2.56 -1.26 -4.53 118.70 116.23 1jil s GLU 112 Ca 0.20 -1.68 -0.00 0.00 0.00 0.00 0.00 54.97 53.49 1jil s GLU 112 Cb -0.03 -4.32 0.02 0.00 2.00 0.00 0.00 34.13 31.80 1jil s GLU 112 CO 0.07 -1.40 0.77 -0.06 -0.56 0.00 0.00 175.26 174.08 1jil s PHE 113 N 1.79 3.04 0.00 5.30 0.08 -1.26 -4.09 117.98 122.84 1jil s PHE 113 Ca 0.08 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.31 1jil s PHE 113 Cb -0.25 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 1jil s PHE 113 CO 0.02 -0.73 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 1jil n GLY 114 N -2.32 0.59 3.94 4.36 0.00 -1.26 -5.05 105.19 105.45 1jil n GLY 114 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1jil n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jil s THR 115 N -2.35 4.71 0.12 2.61 -4.23 -1.26 -5.03 115.64 110.22 1jil s THR 115 Ca 0.00 -0.38 -0.19 0.00 -1.18 0.00 0.00 61.69 59.94 1jil s THR 115 Cb 0.00 -3.74 -0.06 0.00 1.34 0.00 0.00 72.50 70.05 1jil s THR 115 CO 0.00 -0.53 1.77 0.44 -0.54 0.00 0.00 174.62 175.76 1jil h ASP 116 N 0.55 0.28 0.00 3.99 3.45 -1.98 -3.35 116.42 119.37 1jil h ASP 116 Ca -0.48 -0.03 -0.05 0.00 0.43 0.00 0.00 57.03 56.91 1jil h ASP 116 Cb 1.23 -0.07 -0.10 0.00 -0.56 0.00 0.00 39.33 39.83 1jil h ASP 116 CO 0.60 0.22 -0.53 1.41 -1.57 0.00 0.00 179.24 179.37 1jil n HIS 117 N -4.91 0.00 -0.31 4.55 8.25 -1.26 -5.05 115.22 116.49 1jil n HIS 117 Ca -0.03 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 1jil n HIS 117 Cb 0.04 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1jil n HIS 117 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jil n GLY 118 N -0.35 1.64 3.74 -1.41 0.00 -1.26 -4.96 105.19 102.59 1jil n GLY 118 Ca 0.08 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1jil n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jil n ALA 119 N -3.00 1.54 -2.47 4.61 0.00 -1.26 -4.73 120.51 115.20 1jil n ALA 119 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.32 1jil n ALA 119 Cb 0.00 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 16.95 1jil n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jil s VAL 120 N -1.29 1.46 -0.21 0.00 1.01 -0.95 -4.38 120.40 116.05 1jil s VAL 120 Ca 0.71 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1jil s VAL 120 Cb -0.42 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1jil s VAL 120 CO 0.50 0.40 -0.04 -0.22 0.00 0.00 0.00 175.10 175.74 1jil s LEU 121 N -0.46 2.97 0.20 3.92 2.96 -1.26 -1.07 118.68 125.94 1jil s LEU 121 Ca 0.07 -0.33 0.10 0.00 -0.22 0.00 0.00 54.13 53.75 1jil s LEU 121 Cb -0.07 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1jil s LEU 121 CO -0.01 0.02 -0.20 0.68 -1.32 0.00 0.00 176.35 175.52 1jil s VAL 122 N 1.24 2.15 -0.16 1.68 -7.23 -0.36 -4.99 120.40 112.72 1jil s VAL 122 Ca 0.03 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 1jil s VAL 122 Cb -0.14 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.76 1jil s VAL 122 CO -0.01 -0.28 -0.17 0.21 -0.31 0.00 0.00 175.10 174.54 1jil s ASN 123 N -2.90 2.89 0.00 4.85 3.84 -1.26 -0.85 114.94 121.50 1jil s ASN 123 Ca 0.21 -0.56 0.16 0.00 0.21 0.00 0.00 52.86 52.88 1jil s ASN 123 Cb -0.06 -1.32 0.74 0.00 -0.55 0.00 0.00 41.25 40.06 1jil s ASN 123 CO 0.10 -0.03 1.47 -0.46 -2.79 0.00 0.00 177.10 175.39 1jil n ASN 124 N 4.67 0.00 0.24 -4.21 0.23 -0.89 -2.06 115.26 113.25 1jil n ASN 124 Ca -0.19 0.25 0.10 0.00 -0.53 0.00 0.00 54.58 54.21 1jil n ASN 124 Cb 0.50 -0.38 0.61 0.00 -2.08 0.00 0.00 39.78 38.44 1jil n ASN 124 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1jil h ARG 125 N 0.00 0.00 -0.77 -3.83 9.65 -1.84 -1.37 114.38 116.23 1jil h ARG 125 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1jil h ARG 125 Cb 0.20 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.73 1jil h ARG 125 CO 0.00 0.18 0.50 -0.44 2.80 0.00 0.00 179.97 183.01 1jil h ASP 126 N 0.00 0.75 0.00 -3.80 5.19 -1.83 -0.83 116.42 115.90 1jil h ASP 126 Ca -0.00 -0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 1jil h ASP 126 Cb 0.41 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 1jil h ASP 126 CO 0.02 0.49 -1.91 -2.67 -3.12 0.00 0.00 179.24 172.06 1jil n TRP 127 N -4.47 0.00 0.19 4.55 2.14 -1.13 -4.52 117.44 114.20 1jil n TRP 127 Ca 0.11 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.72 1jil n TRP 127 Cb 0.19 -0.63 0.38 0.00 -0.81 0.00 0.00 31.31 30.43 1jil n TRP 127 CO 0.00 0.00 0.00 -0.07 2.07 0.00 0.00 177.69 179.69 1jil h LEU 128 N 0.00 0.00 -0.17 5.67 3.38 -1.31 -2.26 115.31 120.63 1jil h LEU 128 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1jil h LEU 128 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1jil h LEU 128 CO -0.02 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1jil n GLY 129 N -0.21 -1.25 0.69 0.83 0.00 -0.32 -2.57 105.19 102.36 1jil n GLY 129 Ca -0.01 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1jil n GLY 129 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jil n GLN 130 N -1.76 1.84 -3.38 1.61 1.13 -0.85 -4.91 117.38 111.05 1jil n GLN 130 Ca 0.04 -1.39 -0.37 0.00 -1.94 0.00 0.00 57.00 53.34 1jil n GLN 130 Cb 0.25 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 29.06 1jil n GLN 130 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jil s ILE 131 N -2.12 5.22 0.52 5.09 1.01 -1.06 -5.07 121.20 124.79 1jil s ILE 131 Ca 0.29 0.82 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 1jil s ILE 131 Cb 0.20 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.92 1jil s ILE 131 CO 0.37 0.34 0.77 -0.94 0.00 0.00 0.00 174.94 175.48 1jil s SER 132 N 0.60 5.68 0.15 3.58 1.04 -1.26 -4.93 113.70 118.56 1jil s SER 132 Ca 0.23 0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.92 1jil s SER 132 Cb -0.14 -1.54 0.01 0.00 0.10 0.00 0.00 66.02 64.45 1jil s SER 132 CO 0.08 -0.89 1.80 0.25 0.98 0.00 0.00 173.24 175.46 1jil h LEU 133 N 0.14 0.37 -0.49 2.42 5.85 -1.99 -0.92 115.31 120.68 1jil h LEU 133 Ca -0.45 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 1jil h LEU 133 Cb 1.26 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1jil h LEU 133 CO 0.58 0.26 0.14 0.40 -0.34 0.00 0.00 178.44 179.49 1jil h ILE 134 N 0.45 1.23 -0.02 4.05 2.04 -2.00 -1.97 117.51 121.29 1jil h ILE 134 Ca 0.14 -0.79 -0.11 0.00 1.00 0.00 0.00 64.86 65.09 1jil h ILE 134 Cb -0.02 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1jil h ILE 134 CO -0.05 0.29 -0.52 0.77 0.00 0.00 0.00 178.15 178.63 1jil h SER 135 N 0.67 0.06 -0.30 1.72 4.64 -1.93 -1.26 113.55 117.16 1jil h SER 135 Ca 0.16 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1jil h SER 135 Cb 0.29 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1jil h SER 135 CO -0.00 0.58 0.17 0.15 -0.87 0.00 0.00 176.83 176.85 1jil h PHE 136 N 0.05 0.41 -0.24 4.77 3.57 -0.86 0.33 116.94 124.98 1jil h PHE 136 Ca -0.00 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 1jil h PHE 136 Cb 0.94 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1jil h PHE 136 CO 0.00 0.34 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.90 1jil h LEU 137 N 0.37 0.66 0.18 0.59 3.38 -1.14 -1.32 115.31 118.05 1jil h LEU 137 Ca 0.11 -0.32 -0.30 0.00 0.09 0.00 0.00 57.88 57.46 1jil h LEU 137 Cb 0.06 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.64 1jil h LEU 137 CO -0.02 1.02 -1.35 0.03 0.09 0.00 0.00 178.44 178.21 1jil h ARG 138 N 0.49 0.39 0.05 1.13 3.08 -1.06 -2.95 114.38 115.52 1jil h ARG 138 Ca 0.03 -0.67 -0.28 0.00 0.07 0.00 0.00 59.98 59.13 1jil h ARG 138 Cb 0.99 0.25 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1jil h ARG 138 CO 0.09 1.32 -1.51 -0.44 -1.07 0.00 0.00 179.97 178.36 1jil h ASP 139 N 0.11 0.18 0.00 7.04 3.32 -0.40 -3.42 116.42 123.24 1jil h ASP 139 Ca -0.19 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1jil h ASP 139 Cb 2.06 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.55 1jil h ASP 139 CO 0.24 1.23 -1.15 -1.22 -1.72 0.00 0.00 179.24 176.62 1jil n TYR 140 N -3.30 0.00 0.17 4.55 4.01 -0.83 -4.78 117.16 116.98 1jil n TYR 140 Ca -0.14 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.77 1jil n TYR 140 Cb 1.02 -0.09 0.78 0.00 -0.31 0.00 0.00 39.34 40.74 1jil n TYR 140 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jil h GLY 141 N -0.03 0.00 2.00 2.72 0.00 -1.28 -0.19 103.07 106.29 1jil h GLY 141 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1jil h GLY 141 CO -0.03 0.00 0.00 1.70 0.00 0.00 0.00 176.54 178.21 1jil h LYS 142 N 0.00 0.00 -0.45 4.80 1.63 -1.77 -3.09 116.57 117.70 1jil h LYS 142 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1jil h LYS 142 Cb 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1jil h LYS 142 CO -0.00 0.00 0.00 0.72 -3.45 0.00 0.00 179.45 176.72 1jil n HIS 143 N -2.53 1.57 -4.65 1.91 8.25 -0.08 -4.91 115.22 114.77 1jil n HIS 143 Ca 0.02 -0.78 -0.24 0.00 -0.26 0.00 0.00 57.72 56.46 1jil n HIS 143 Cb 0.28 -0.41 -0.16 0.00 1.12 0.00 0.00 29.99 30.82 1jil n HIS 143 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jil s VAL 144 N -2.71 1.18 -0.10 1.59 1.01 -1.17 -4.79 120.40 115.41 1jil s VAL 144 Ca 0.49 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1jil s VAL 144 Cb 0.38 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1jil s VAL 144 CO 0.14 0.35 0.17 -0.83 0.00 0.00 0.00 175.10 174.93 1jil s GLY 145 N 0.25 2.20 0.19 4.51 0.00 -1.26 -5.00 107.32 108.20 1jil s GLY 145 Ca -0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 44.72 43.99 1jil s GLY 145 CO 0.02 -0.35 1.56 -2.08 0.00 0.00 0.00 173.10 172.25 1jil h VAL 146 N 3.83 1.28 -0.27 1.40 2.07 -1.99 -2.16 116.25 120.42 1jil h VAL 146 Ca -0.54 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 65.44 1jil h VAL 146 Cb 1.22 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1jil h VAL 146 CO 0.59 0.49 0.06 0.78 0.02 0.00 0.00 177.57 179.52 1jil h ASN 147 N 0.62 0.41 -0.31 0.57 4.21 -1.98 0.28 115.58 119.39 1jil h ASN 147 Ca 0.06 -0.24 0.07 0.00 1.21 0.00 0.00 56.30 57.40 1jil h ASN 147 Cb 0.89 -0.11 -0.08 0.00 -1.12 0.00 0.00 38.32 37.90 1jil h ASN 147 CO 0.08 0.54 -0.31 0.22 -1.29 0.00 0.00 177.43 176.67 1jil h TYR 148 N 0.26 -0.86 -0.72 1.19 3.20 -1.94 0.97 116.97 119.07 1jil h TYR 148 Ca 0.08 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1jil h TYR 148 Cb 0.30 0.42 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1jil h TYR 148 CO 0.01 -0.38 0.40 0.52 -1.64 0.00 0.00 178.16 177.07 1jil h MET 149 N -0.29 0.99 -0.41 1.82 2.86 -0.98 -3.00 114.93 115.92 1jil h MET 149 Ca 0.15 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1jil h MET 149 Cb 0.53 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1jil h MET 149 CO -0.47 0.73 -0.25 -0.07 1.06 0.00 0.00 176.91 177.90 1jil h LEU 150 N 1.00 0.88 -3.49 1.22 4.07 0.87 -3.25 115.31 116.62 1jil h LEU 150 Ca 0.26 -0.34 -0.19 0.00 0.08 0.00 0.00 57.88 57.68 1jil h LEU 150 Cb 0.02 -0.24 -0.08 0.00 1.08 0.00 0.00 40.66 41.44 1jil h LEU 150 CO -0.04 1.09 0.12 0.61 -1.08 0.00 0.00 178.44 179.13 1jil n GLY 151 N -0.14 3.32 3.13 0.83 0.00 0.21 -4.86 105.19 107.67 1jil n GLY 151 Ca -0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1jil n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jil s LYS 152 N -0.63 1.81 0.06 1.61 1.02 -1.23 -5.03 119.74 117.35 1jil s LYS 152 Ca 0.28 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.55 1jil s LYS 152 Cb 0.18 -1.56 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1jil s LYS 152 CO -0.03 0.22 1.00 -0.40 -0.92 0.00 0.00 175.35 175.23 1jil n ASP 153 N 3.21 -0.42 0.12 2.83 5.75 -1.26 -2.48 116.55 124.30 1jil n ASP 153 Ca -0.18 1.10 0.14 0.00 -0.01 0.00 0.00 54.79 55.83 1jil n ASP 153 Cb 0.53 -0.29 0.36 0.00 -1.03 0.00 0.00 41.12 40.69 1jil n ASP 153 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1jil h SER 154 N 0.00 0.00 0.00 -1.12 4.64 -1.97 -2.68 113.55 112.42 1jil h SER 154 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1jil h SER 154 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1jil h SER 154 CO -0.38 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.88 1jil n ILE 155 N -2.95 0.69 0.06 0.95 -5.35 -1.03 -3.12 119.36 108.60 1jil n ILE 155 Ca 0.08 -0.69 -0.05 0.00 -0.27 0.00 0.00 62.75 61.83 1jil n ILE 155 Cb 1.04 0.66 0.15 0.00 -1.74 0.00 0.00 39.64 39.74 1jil n ILE 155 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1jil h GLN 156 N 0.00 0.36 -0.92 6.28 7.50 -1.53 0.36 115.11 127.15 1jil h GLN 156 Ca 0.00 -0.20 0.12 0.00 0.50 0.00 0.00 58.65 59.07 1jil h GLN 156 Cb 0.65 0.01 -0.08 0.00 0.05 0.00 0.00 27.48 28.11 1jil h GLN 156 CO 0.00 0.76 0.55 0.66 -1.50 0.00 0.00 178.83 179.30 1jil h SER 157 N 0.29 0.79 0.23 1.46 4.64 -1.84 -1.06 113.55 118.06 1jil h SER 157 Ca 0.02 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1jil h SER 157 Cb 0.94 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1jil h SER 157 CO 0.08 0.42 -0.78 0.54 -0.87 0.00 0.00 176.83 176.23 1jil n ARG 158 N -4.69 0.00 -0.16 4.77 1.74 -1.03 -4.09 116.66 113.20 1jil n ARG 158 Ca 0.17 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.14 1jil n ARG 158 Cb 0.34 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1jil n ARG 158 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jil h LEU 159 N 0.00 0.94 -1.66 0.55 3.38 0.37 -0.80 115.31 118.10 1jil h LEU 159 Ca 0.00 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1jil h LEU 159 Cb 0.50 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1jil h LEU 159 CO 0.00 1.10 -0.02 -0.33 0.09 0.00 0.00 178.44 179.28 1jil h GLU 160 N 0.78 0.00 -0.46 1.13 5.08 -1.58 -3.26 114.58 116.27 1jil h GLU 160 Ca 0.12 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.14 1jil h GLU 160 Cb 0.70 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.67 1jil h GLU 160 CO 0.05 0.02 -0.71 0.72 -1.00 0.00 0.00 179.01 178.09 1jil n HIS 161 N -3.12 1.69 -2.40 4.33 8.25 -0.97 -5.01 115.22 117.99 1jil n HIS 161 Ca 0.00 -1.94 -0.07 0.00 -0.26 0.00 0.00 57.72 55.46 1jil n HIS 161 Cb 0.28 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 31.12 1jil n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jil n GLY 162 N -0.85 0.07 3.72 -1.41 0.00 -1.07 -4.98 105.19 100.67 1jil n GLY 162 Ca 0.34 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1jil n GLY 162 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jil n ILE 163 N -2.27 0.45 -1.43 -0.61 3.06 -0.34 -4.97 119.36 113.25 1jil n ILE 163 Ca -0.07 -0.11 -0.30 0.00 -2.50 0.00 0.00 62.75 59.76 1jil n ILE 163 Cb 0.56 -1.91 0.09 0.00 0.54 0.00 0.00 39.64 38.92 1jil n ILE 163 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1jil s SER 164 N 0.84 4.53 0.28 9.51 1.04 -1.26 -4.88 113.70 123.76 1jil s SER 164 Ca 0.71 1.53 -0.00 0.00 0.48 0.00 0.00 55.95 58.67 1jil s SER 164 Cb -0.53 -2.29 0.41 0.00 0.10 0.00 0.00 66.02 63.72 1jil s SER 164 CO 0.40 -1.97 1.81 0.22 0.98 0.00 0.00 173.24 174.67 1jil h TYR 165 N -1.09 0.79 -0.53 5.02 3.20 -1.98 -1.86 116.97 120.51 1jil h TYR 165 Ca -0.46 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.30 1jil h TYR 165 Cb 1.25 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1jil h TYR 165 CO 0.52 0.71 0.25 1.15 -1.64 0.00 0.00 178.16 179.15 1jil h THR 166 N 0.72 1.20 -0.17 1.81 2.02 -1.99 -1.21 112.91 115.29 1jil h THR 166 Ca 0.15 -0.58 -0.13 0.00 0.77 0.00 0.00 66.41 66.62 1jil h THR 166 Cb 0.36 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1jil h THR 166 CO 0.01 0.23 -0.45 -0.33 0.37 0.00 0.00 175.52 175.35 1jil h GLU 167 N 0.72 0.43 0.00 6.66 5.08 -1.84 -2.60 114.58 123.02 1jil h GLU 167 Ca 0.18 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1jil h GLU 167 Cb 0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jil h GLU 167 CO -0.02 0.79 -0.12 0.35 -1.00 0.00 0.00 179.01 179.01 1jil h PHE 168 N 0.35 0.00 -0.01 4.33 3.57 -1.00 -2.76 116.94 121.42 1jil h PHE 168 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jil h PHE 168 Cb 0.92 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1jil h PHE 168 CO 0.03 0.12 -0.37 0.25 -2.23 0.00 0.00 178.31 176.11 1jil n THR 169 N -4.39 0.00 -0.26 4.41 -2.24 -0.49 -4.22 114.28 107.09 1jil n THR 169 Ca -0.03 -0.17 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1jil n THR 169 Cb 0.19 0.74 0.17 0.00 -2.10 0.00 0.00 70.33 69.33 1jil n THR 169 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1jil h TYR 170 N 1.60 0.61 -0.43 4.78 3.20 -1.27 -0.20 116.97 125.26 1jil h TYR 170 Ca 0.00 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1jil h TYR 170 Cb 0.60 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1jil h TYR 170 CO 0.00 0.16 0.33 0.00 -1.64 0.00 0.00 178.16 177.00 1jil h THR 171 N 0.54 0.70 -0.01 1.81 1.03 -1.77 0.46 112.91 115.68 1jil h THR 171 Ca 0.39 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.61 1jil h THR 171 Cb 0.52 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 68.35 1jil h THR 171 CO -0.34 0.00 -0.82 0.40 -0.01 0.00 0.00 175.52 174.75 1jil h ILE 172 N 0.00 1.50 -0.28 0.00 2.04 -1.32 -1.94 117.51 117.52 1jil h ILE 172 Ca 0.20 -2.56 -0.05 0.00 1.00 0.00 0.00 64.86 63.45 1jil h ILE 172 Cb 0.85 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1jil h ILE 172 CO -0.00 0.74 -0.02 -0.07 0.00 0.00 0.00 178.15 178.80 1jil h LEU 173 N 0.08 0.51 -1.02 1.44 3.38 -0.83 0.47 115.31 119.34 1jil h LEU 173 Ca -0.03 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1jil h LEU 173 Cb 1.43 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1jil h LEU 173 CO 0.12 0.72 0.29 -0.61 0.09 0.00 0.00 178.44 179.05 1jil h GLN 174 N 0.29 0.99 -0.65 1.13 4.15 -1.40 -2.12 115.11 117.50 1jil h GLN 174 Ca 0.08 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1jil h GLN 174 Cb 0.47 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1jil h GLN 174 CO 0.02 0.79 0.41 0.00 -1.93 0.00 0.00 178.83 178.12 1jil h ALA 175 N 1.34 0.82 -0.93 3.38 0.00 -0.92 -2.45 119.26 120.51 1jil h ALA 175 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jil h ALA 175 Cb 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1jil h ALA 175 CO -0.02 0.28 0.54 0.82 0.00 0.00 0.00 179.25 180.86 1jil h ILE 176 N 0.88 1.26 -0.37 0.00 2.04 -0.48 -2.24 117.51 118.59 1jil h ILE 176 Ca 0.23 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1jil h ILE 176 Cb -0.06 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 35.95 1jil h ILE 176 CO -0.05 0.28 0.17 0.44 0.00 0.00 0.00 178.15 179.00 1jil h ASP 177 N 1.29 0.24 -0.30 1.72 3.32 -1.06 0.15 116.42 121.80 1jil h ASP 177 Ca 0.33 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1jil h ASP 177 Cb -0.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1jil h ASP 177 CO -0.06 0.18 0.11 0.15 -1.72 0.00 0.00 179.24 177.90 1jil h PHE 178 N 0.36 0.46 -0.96 4.55 3.57 -1.17 -1.39 116.94 122.36 1jil h PHE 178 Ca 0.16 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1jil h PHE 178 Cb 0.08 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1jil h PHE 178 CO -0.11 0.46 0.62 0.78 -2.23 0.00 0.00 178.31 177.84 1jil h GLY 179 N 0.33 1.36 0.86 2.40 0.00 -1.16 -0.85 103.07 106.01 1jil h GLY 179 Ca 0.10 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1jil h GLY 179 CO -0.01 0.51 0.05 0.84 0.00 0.00 0.00 176.54 177.94 1jil h HIS 180 N 1.31 0.25 0.00 5.60 -0.00 -0.69 -1.91 115.15 119.70 1jil h HIS 180 Ca 0.35 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.63 1jil h HIS 180 Cb -0.13 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 1jil h HIS 180 CO -0.00 0.34 -0.31 -0.07 -0.00 0.00 0.00 177.93 177.88 1jil h LEU 181 N 0.08 0.00 -0.19 0.26 3.38 -1.07 0.01 115.31 117.77 1jil h LEU 181 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1jil h LEU 181 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jil h LEU 181 CO -0.00 0.31 -0.04 -1.13 0.09 0.00 0.00 178.44 177.67 1jil h ASN 182 N 0.00 0.37 0.43 -0.43 -1.24 -0.96 0.18 115.58 113.93 1jil h ASN 182 Ca -0.00 -0.36 -0.21 0.00 0.71 0.00 0.00 56.30 56.43 1jil h ASN 182 Cb 0.64 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 1jil h ASN 182 CO 0.04 0.65 -0.91 0.03 -1.29 0.00 0.00 177.43 175.95 1jil h ARG 183 N 0.09 0.33 0.14 6.67 3.08 -1.14 -1.91 114.38 121.63 1jil h ARG 183 Ca 0.05 -0.35 -0.35 0.00 0.07 0.00 0.00 59.98 59.40 1jil h ARG 183 Cb 0.48 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1jil h ARG 183 CO 0.02 1.04 -1.87 1.49 -1.07 0.00 0.00 179.97 179.58 1jil h GLU 184 N 0.18 0.29 0.00 0.04 4.57 -1.06 -3.40 114.58 115.20 1jil h GLU 184 Ca -0.06 -0.49 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1jil h GLU 184 Cb 1.54 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 30.30 1jil h GLU 184 CO 0.15 1.19 -0.17 1.28 -1.18 0.00 0.00 179.01 180.28 1jil n LEU 185 N -3.48 1.87 -2.44 1.64 4.77 -0.06 -4.99 117.00 114.31 1jil n LEU 185 Ca -0.27 -2.72 -0.13 0.00 -0.03 0.00 0.00 56.01 52.86 1jil n LEU 185 Cb 1.06 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 1jil n LEU 185 CO 0.46 0.68 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.84 1jil n ASN 186 N -1.07 -3.99 -4.68 -1.43 5.15 -0.72 -4.88 115.26 103.64 1jil n ASN 186 Ca 0.13 0.19 -0.42 0.00 -0.60 0.00 0.00 54.58 53.87 1jil n ASN 186 Cb 0.67 -3.39 -0.03 0.00 -0.53 0.00 0.00 39.78 36.51 1jil n ASN 186 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jil n LYS 188 N 5.91 4.42 -4.06 0.00 5.02 -0.56 -3.97 118.16 124.91 1jil n LYS 188 Ca 0.16 -0.01 -0.17 0.00 -2.02 0.00 0.00 58.31 56.27 1jil n LYS 188 Cb 0.42 -0.84 -0.15 0.00 -0.02 0.00 0.00 35.03 34.43 1jil n LYS 188 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jil s ILE 189 N -1.69 0.33 -0.10 -0.18 1.01 -1.21 -0.21 121.20 119.16 1jil s ILE 189 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1jil s ILE 189 Cb 0.05 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1jil s ILE 189 CO 0.27 0.14 -0.14 -1.58 0.00 0.00 0.00 174.94 173.63 1jil s GLN 190 N 0.52 3.07 0.13 2.79 0.74 -0.91 -1.27 119.66 124.73 1jil s GLN 190 Ca -0.06 -0.69 0.07 0.00 0.05 0.00 0.00 55.36 54.73 1jil s GLN 190 Cb -0.09 -2.54 -0.04 0.00 1.10 0.00 0.00 33.01 31.44 1jil s GLN 190 CO -0.01 0.36 -0.04 0.08 -0.55 0.00 0.00 175.29 175.13 1jil s VAL 191 N -0.03 3.65 0.03 1.34 1.01 0.08 -1.80 120.40 124.68 1jil s VAL 191 Ca -0.03 -1.26 -0.28 0.00 0.00 0.00 0.00 61.98 60.40 1jil s VAL 191 Cb -0.14 -2.76 0.10 0.00 0.00 0.00 0.00 36.38 33.58 1jil s VAL 191 CO 0.04 0.03 1.22 -0.83 0.00 0.00 0.00 175.10 175.56 1jil s GLY 192 N -2.50 -0.29 0.92 4.51 0.00 -0.95 -4.40 107.32 104.62 1jil s GLY 192 Ca 0.25 0.39 -0.12 0.00 0.00 0.00 0.00 44.72 45.24 1jil s GLY 192 CO 0.17 1.35 1.10 -0.32 0.00 0.00 0.00 173.10 175.40 1jil s GLY 193 N -3.17 1.59 0.62 0.20 0.00 -1.26 -0.47 107.32 104.82 1jil s GLY 193 Ca 0.17 -0.26 0.36 0.00 0.00 0.00 0.00 44.72 44.99 1jil s GLY 193 CO -0.02 0.28 2.29 1.48 0.00 0.00 0.00 173.10 177.13 1jil h SER 194 N -1.61 0.00 0.72 1.64 4.64 -1.84 -0.97 113.55 116.12 1jil h SER 194 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1jil h SER 194 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1jil h SER 194 CO 0.57 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 1jil n ASP 195 N -3.53 0.63 -0.51 4.97 5.68 -1.26 -2.70 116.55 119.84 1jil n ASP 195 Ca -0.03 0.66 0.14 0.00 -0.50 0.00 0.00 54.79 55.05 1jil n ASP 195 Cb 0.09 -0.79 0.47 0.00 -1.14 0.00 0.00 41.12 39.75 1jil n ASP 195 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jil n GLN 196 N -2.20 1.67 -0.21 0.11 1.13 -0.37 -4.40 117.38 113.12 1jil n GLN 196 Ca 0.02 -1.02 0.02 0.00 -1.94 0.00 0.00 57.00 54.08 1jil n GLN 196 Cb 0.23 -1.48 0.12 0.00 0.11 0.00 0.00 30.24 29.22 1jil n GLN 196 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 1jil h TRP 197 N 2.49 0.12 -0.17 1.08 2.91 -1.65 -0.05 115.95 120.68 1jil h TRP 197 Ca 0.00 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 1jil h TRP 197 Cb 0.55 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1jil h TRP 197 CO 0.00 -0.09 0.10 0.78 -1.03 0.00 0.00 178.44 178.20 1jil h GLY 198 N 0.20 0.25 1.66 2.65 0.00 -1.86 -1.38 103.07 104.60 1jil h GLY 198 Ca 0.33 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 1jil h GLY 198 CO -0.47 0.10 0.01 3.43 0.00 0.00 0.00 176.54 179.62 1jil h ASN 199 N 0.20 0.40 -0.11 0.19 2.35 -1.72 -1.31 115.58 115.58 1jil h ASN 199 Ca 0.06 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1jil h ASN 199 Cb 0.03 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1jil h ASN 199 CO -0.01 0.45 -0.15 0.40 -1.65 0.00 0.00 177.43 176.48 1jil h ILE 200 N 0.42 1.37 0.00 2.81 2.04 -0.77 -3.02 117.51 120.36 1jil h ILE 200 Ca 0.10 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 1jil h ILE 200 Cb 0.26 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1jil h ILE 200 CO 0.01 0.39 -0.30 0.71 0.00 0.00 0.00 178.15 178.96 1jil h THR 201 N -0.12 1.05 -0.77 -0.27 1.35 -1.10 -2.50 112.91 110.56 1jil h THR 201 Ca 0.01 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1jil h THR 201 Cb 0.69 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 68.69 1jil h THR 201 CO 0.03 0.29 0.49 0.28 -0.25 0.00 0.00 175.52 176.37 1jil h SER 202 N 0.00 0.91 -0.24 5.36 0.02 -1.16 0.43 113.55 118.86 1jil h SER 202 Ca -0.00 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1jil h SER 202 Cb 0.59 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1jil h SER 202 CO 0.04 0.68 0.13 1.23 -1.14 0.00 0.00 176.83 177.77 1jil h GLY 203 N 1.05 0.33 0.93 -3.77 0.00 -1.33 0.16 103.07 100.45 1jil h GLY 203 Ca 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1jil h GLY 203 CO -0.06 0.08 0.14 -2.22 0.00 0.00 0.00 176.54 174.49 1jil h ILE 204 N 0.27 1.18 -0.31 2.60 2.04 -1.22 -1.48 117.51 120.60 1jil h ILE 204 Ca 0.10 -0.54 -0.11 0.00 1.00 0.00 0.00 64.86 65.30 1jil h ILE 204 Cb 0.01 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1jil h ILE 204 CO -0.06 0.19 -0.28 -0.33 0.00 0.00 0.00 178.15 177.67 1jil h GLU 205 N 0.41 0.63 -0.33 2.37 4.39 -0.74 -1.56 114.58 119.76 1jil h GLU 205 Ca 0.12 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1jil h GLU 205 Cb 0.17 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1jil h GLU 205 CO -0.01 0.85 0.18 1.25 -1.16 0.00 0.00 179.01 180.12 1jil h LEU 206 N 0.55 0.42 -1.16 1.33 6.46 -0.45 -0.65 115.31 121.81 1jil h LEU 206 Ca 0.07 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1jil h LEU 206 Cb 0.77 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 1jil h LEU 206 CO 0.06 0.39 0.38 0.24 -0.62 0.00 0.00 178.44 178.89 1jil h MET 207 N 0.42 0.96 -0.54 1.25 2.86 -1.12 0.14 114.93 118.89 1jil h MET 207 Ca 0.12 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1jil h MET 207 Cb 0.07 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1jil h MET 207 CO -0.02 0.71 -0.07 -0.09 1.06 0.00 0.00 176.91 178.50 1jil h ARG 208 N 0.97 0.99 0.04 1.72 2.43 -0.85 -1.11 114.38 118.56 1jil h ARG 208 Ca 0.25 -0.34 -0.22 0.00 -0.81 0.00 0.00 59.98 58.86 1jil h ARG 208 Cb 0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1jil h ARG 208 CO -0.04 1.01 -1.02 0.00 -1.51 0.00 0.00 179.97 178.42 1jil h ARG 209 N 0.89 0.16 0.15 0.20 3.08 -0.55 0.95 114.38 119.26 1jil h ARG 209 Ca 0.15 -0.23 -0.30 0.00 0.07 0.00 0.00 59.98 59.67 1jil h ARG 209 Cb 0.62 0.08 0.02 0.00 0.08 0.00 0.00 29.97 30.77 1jil h ARG 209 CO 0.04 1.04 -1.28 0.52 -1.07 0.00 0.00 179.97 179.22 1jil h MET 210 N 0.07 0.48 0.00 0.04 2.86 -0.72 -3.40 114.93 114.26 1jil h MET 210 Ca -0.06 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.86 1jil h MET 210 Cb 1.71 0.25 0.00 0.00 0.06 0.00 0.00 31.60 33.62 1jil h MET 210 CO 0.15 1.32 -0.22 0.66 1.06 0.00 0.00 176.91 179.89 1jil n TYR 211 N -3.70 0.00 -1.40 -0.22 4.01 -0.43 -4.97 117.16 110.45 1jil n TYR 211 Ca -0.12 -0.23 -0.14 0.00 -0.16 0.00 0.00 57.90 57.24 1jil n TYR 211 Cb 1.01 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.93 1jil n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jil n GLY 212 N -0.31 1.38 3.63 2.72 0.00 0.33 -4.85 105.19 108.09 1jil n GLY 212 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1jil n GLY 212 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jil s GLN 213 N -3.19 3.82 -0.18 1.61 2.00 -1.14 -4.89 119.66 117.69 1jil s GLN 213 Ca 0.00 1.57 0.14 0.00 -2.00 0.00 0.00 55.36 55.07 1jil s GLN 213 Cb 0.00 -4.00 0.37 0.00 0.80 0.00 0.00 33.01 30.18 1jil s GLN 213 CO 0.00 -1.26 1.19 0.25 -0.50 0.00 0.00 175.29 174.98 1jil n THR 214 N 6.36 2.00 -2.03 -0.34 -2.24 -1.26 -3.68 114.28 113.10 1jil n THR 214 Ca 0.18 -2.82 -0.27 0.00 -2.27 0.00 0.00 64.05 58.87 1jil n THR 214 Cb 0.45 -0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1jil n THR 214 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jil n ASP 215 N -1.15 5.41 -4.16 3.42 2.03 -1.26 -5.00 116.55 115.84 1jil n ASP 215 Ca 0.17 -3.75 -0.22 0.00 0.52 0.00 0.00 54.79 51.51 1jil n ASP 215 Cb 0.69 -0.50 -0.14 0.00 -0.72 0.00 0.00 41.12 40.45 1jil n ASP 215 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jil s ALA 216 N -3.64 1.31 0.15 -1.67 0.00 -1.26 -4.81 121.76 111.83 1jil s ALA 216 Ca 0.52 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 1jil s ALA 216 Cb 0.42 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1jil s ALA 216 CO -0.05 0.28 0.06 0.71 0.00 0.00 0.00 175.76 176.77 1jil s TYR 217 N -0.66 0.98 0.03 0.00 2.02 0.71 -5.01 117.35 115.42 1jil s TYR 217 Ca 0.04 -1.22 0.03 0.00 -0.37 0.00 0.00 57.07 55.55 1jil s TYR 217 Cb -0.07 -0.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.93 1jil s TYR 217 CO 0.01 -0.49 -0.10 0.20 -1.57 0.00 0.00 175.55 173.61 1jil s GLY 218 N -3.09 0.56 -0.01 0.71 0.00 -1.26 -2.13 107.32 102.09 1jil s GLY 218 Ca 0.27 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.32 1jil s GLY 218 CO 0.04 -0.69 -0.03 1.08 0.00 0.00 0.00 173.10 173.50 1jil s LEU 219 N -1.14 1.81 0.15 0.66 1.43 -0.74 -2.01 118.68 118.85 1jil s LEU 219 Ca -0.03 -0.06 0.10 0.00 -1.03 0.00 0.00 54.13 53.11 1jil s LEU 219 Cb -0.08 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 1jil s LEU 219 CO 0.01 0.01 -0.21 0.42 0.23 0.00 0.00 176.35 176.81 1jil s THR 220 N 0.17 2.60 0.07 5.49 -4.23 -0.45 -2.23 115.64 117.06 1jil s THR 220 Ca -0.01 -1.76 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 1jil s THR 220 Cb -0.04 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 1jil s THR 220 CO -0.00 -0.00 0.33 -0.63 -0.54 0.00 0.00 174.62 173.77 1jil s ILE 221 N -1.37 5.21 0.67 2.99 -1.09 0.38 -0.84 121.20 127.15 1jil s ILE 221 Ca 0.19 0.15 -0.17 0.00 -2.23 0.00 0.00 60.65 58.59 1jil s ILE 221 Cb -0.09 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1jil s ILE 221 CO 0.10 0.22 1.24 -2.84 -1.23 0.00 0.00 174.94 172.43 1jil s PRO 222 N -2.14 2.46 0.12 2.79 0.02 -1.26 -2.84 135.00 134.15 1jil s PRO 222 Ca 0.34 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 1jil s PRO 222 Cb -0.13 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1jil s PRO 222 CO 0.20 -1.62 1.23 -1.17 -0.33 0.00 0.00 177.00 175.31 1jil s LEU 223 N -4.65 4.40 -0.11 -5.54 2.96 -1.26 -4.83 118.68 109.65 1jil s LEU 223 Ca 0.78 2.14 -0.30 0.00 -0.22 0.00 0.00 54.13 56.54 1jil s LEU 223 Cb -0.32 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.77 1jil s LEU 223 CO 0.41 -0.46 1.05 -0.69 -1.32 0.00 0.00 176.35 175.33 1jil s VAL 224 N 0.65 4.67 0.23 1.68 1.01 -1.26 -5.02 120.40 122.35 1jil s VAL 224 Ca 0.57 1.95 0.09 0.00 0.00 0.00 0.00 61.98 64.60 1jil s VAL 224 Cb -0.32 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1jil s VAL 224 CO 0.32 -0.02 -0.03 0.42 0.00 0.00 0.00 175.10 175.79 1jil s THR 225 N 2.23 3.41 -0.04 3.92 -4.23 -1.26 -4.35 115.64 115.33 1jil s THR 225 Ca 0.49 -1.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1jil s THR 225 Cb -0.19 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 1jil s THR 225 CO 0.17 -0.26 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.38 1jil s LYS 226 N -3.33 2.65 0.54 3.99 1.02 -1.25 -4.96 119.74 118.40 1jil s LYS 226 Ca 0.29 -0.63 0.30 0.00 0.02 0.00 0.00 55.97 55.95 1jil s LYS 226 Cb -0.07 -2.54 1.46 0.00 -0.52 0.00 0.00 37.83 36.15 1jil s LYS 226 CO 0.18 0.64 1.92 0.66 -0.92 0.00 0.00 175.35 177.83 1jil h SER 227 N 4.94 0.00 0.12 2.83 4.64 -1.93 0.51 113.55 124.67 1jil h SER 227 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1jil h SER 227 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1jil h SER 227 CO 0.53 0.00 -0.05 -0.90 -0.87 0.00 0.00 176.83 175.54 1jil n ASP 228 N -4.24 0.71 0.00 4.97 3.85 -1.26 -4.92 116.55 115.65 1jil n ASP 228 Ca 0.15 -1.03 0.00 0.00 -0.71 0.00 0.00 54.79 53.20 1jil n ASP 228 Cb 0.84 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.59 1jil n ASP 228 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jil n GLY 229 N 1.16 1.53 3.77 6.12 0.00 0.17 -5.05 105.19 112.90 1jil n GLY 229 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1jil n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jil s LYS 230 N -0.55 2.90 0.22 1.61 1.02 -1.26 -4.87 119.74 118.81 1jil s LYS 230 Ca 0.00 1.40 -0.31 0.00 0.02 0.00 0.00 55.97 57.08 1jil s LYS 230 Cb 0.00 -1.96 -0.11 0.00 -0.52 0.00 0.00 37.83 35.24 1jil s LYS 230 CO 0.00 -1.17 1.58 0.21 -0.92 0.00 0.00 175.35 175.04 1jil s LYS 231 N -4.01 4.19 0.20 1.68 2.20 -1.26 -3.89 119.74 118.84 1jil s LYS 231 Ca 0.67 2.45 -0.26 0.00 -0.36 0.00 0.00 55.97 58.47 1jil s LYS 231 Cb -0.20 -3.10 -0.08 0.00 -1.51 0.00 0.00 37.83 32.93 1jil s LYS 231 CO 0.40 -0.60 0.82 0.12 -0.36 0.00 0.00 175.35 175.72 1jil s PHE 232 N 0.67 3.89 0.00 4.03 2.19 -1.26 -4.09 117.98 123.40 1jil s PHE 232 Ca 0.67 1.68 0.00 0.00 0.33 0.00 0.00 56.93 59.61 1jil s PHE 232 Cb -0.45 -2.81 0.00 0.00 -1.31 0.00 0.00 43.02 38.45 1jil s PHE 232 CO 0.37 0.47 0.00 0.41 1.83 0.00 0.00 175.22 178.30 1jil n GLY 233 N 1.42 0.85 3.09 13.12 0.00 -1.26 -4.92 105.19 117.48 1jil n GLY 233 Ca -0.04 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1jil n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jil s LYS 234 N -0.68 2.64 0.34 1.61 -0.14 -1.26 -2.29 119.74 119.97 1jil s LYS 234 Ca 0.00 -0.93 -0.01 0.00 -1.36 0.00 0.00 55.97 53.67 1jil s LYS 234 Cb 0.00 -2.59 0.07 0.00 -1.68 0.00 0.00 37.83 33.63 1jil s LYS 234 CO 0.00 -0.32 0.46 -1.13 -0.76 0.00 0.00 175.35 173.60 1jil n SER 235 N 4.60 0.57 -0.36 2.83 3.41 0.14 -4.97 113.62 119.84 1jil n SER 235 Ca -0.18 -1.49 -0.07 0.00 -0.26 0.00 0.00 58.87 56.86 1jil n SER 235 Cb 0.48 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1jil n SER 235 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1jil h GLU 236 N 0.00 -0.05 0.00 4.33 -0.00 -2.00 -3.29 114.58 113.57 1jil h GLU 236 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.21 1jil h GLU 236 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 1jil h GLU 236 CO 0.16 -0.04 0.00 -1.13 -0.00 0.00 0.00 179.01 178.00 1jil n SER 237 N -5.36 0.00 0.00 3.06 3.41 -1.26 -5.08 113.62 108.40 1jil n SER 237 Ca 0.04 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1jil n SER 237 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1jil n SER 237 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jil n GLY 238 N 1.95 5.53 3.74 5.00 0.00 -1.24 -5.13 105.19 115.04 1jil n GLY 238 Ca 0.00 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 1jil n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jil s ALA 239 N -2.00 2.32 -0.65 4.61 0.00 -1.26 0.27 121.76 125.05 1jil s ALA 239 Ca 0.00 0.93 -0.19 0.00 0.00 0.00 0.00 51.96 52.70 1jil s ALA 239 Cb 0.00 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.77 1jil s ALA 239 CO 0.00 -1.56 0.77 0.08 0.00 0.00 0.00 175.76 175.06 1jil s VAL 240 N -1.83 4.82 0.59 0.00 1.01 -0.97 -4.72 120.40 119.31 1jil s VAL 240 Ca 0.75 -1.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1jil s VAL 240 Cb -0.30 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.50 1jil s VAL 240 CO 0.40 -1.19 1.02 0.26 0.00 0.00 0.00 175.10 175.60 1jil s TRP 241 N 2.63 3.38 -0.95 5.22 0.52 -1.26 -1.43 118.94 127.04 1jil s TRP 241 Ca 0.15 1.41 0.24 0.00 0.02 0.00 0.00 56.10 57.92 1jil s TRP 241 Cb -0.21 -2.82 0.33 0.00 -1.15 0.00 0.00 33.47 29.62 1jil s TRP 241 CO 0.04 -0.73 1.29 1.28 0.02 0.00 0.00 176.95 178.84 1jil n LEU 242 N -2.28 0.61 -4.65 2.99 4.77 -0.77 -4.59 117.00 113.08 1jil n LEU 242 Ca 0.07 -0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 1jil n LEU 242 Cb 0.54 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1jil n LEU 242 CO 0.52 0.13 0.86 -0.62 -1.33 0.00 0.00 177.39 176.95 1jil s ASP 243 N -3.13 6.98 0.60 -1.43 3.68 -1.26 -4.92 116.67 117.20 1jil s ASP 243 Ca 0.10 1.18 0.30 0.00 2.13 0.00 0.00 52.55 56.26 1jil s ASP 243 Cb 0.17 -2.51 1.73 0.00 -1.45 0.00 0.00 42.92 40.85 1jil s ASP 243 CO 0.74 -0.70 2.10 0.00 0.13 0.00 0.00 175.17 177.44 1jil h ALA 244 N 7.72 1.69 0.00 3.66 0.00 -1.88 -0.85 119.26 129.59 1jil h ALA 244 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jil h ALA 244 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1jil h ALA 244 CO 0.97 -0.28 -0.04 0.39 0.00 0.00 0.00 179.25 180.29 1jil n GLU 245 N -3.64 0.25 -0.08 0.00 4.71 -1.26 -3.54 120.64 117.08 1jil n GLU 245 Ca 0.01 0.20 -0.09 0.00 -0.01 0.00 0.00 57.16 57.26 1jil n GLU 245 Cb 0.31 -1.79 -0.10 0.00 -1.01 0.00 0.00 31.44 28.85 1jil n GLU 245 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1jil n LYS 246 N -2.23 1.17 -3.67 3.49 5.02 -0.41 -4.90 118.16 116.64 1jil n LYS 246 Ca 0.05 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 1jil n LYS 246 Cb 0.43 -1.38 -0.17 0.00 -0.02 0.00 0.00 35.03 33.89 1jil n LYS 246 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jil s THR 247 N -2.36 0.09 0.65 -0.18 2.01 -0.72 -4.89 115.64 110.25 1jil s THR 247 Ca -0.14 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.60 1jil s THR 247 Cb 0.05 -0.58 -0.00 0.00 0.01 0.00 0.00 72.50 71.98 1jil s THR 247 CO 0.54 -0.11 1.16 -0.94 -0.69 0.00 0.00 174.62 174.57 1jil s SER 248 N 2.06 4.92 0.33 3.53 1.04 -1.23 -4.04 113.70 120.32 1jil s SER 248 Ca 0.02 2.19 0.10 0.00 0.48 0.00 0.00 55.95 58.75 1jil s SER 248 Cb -0.15 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.28 1jil s SER 248 CO -0.07 -1.76 1.75 -0.65 0.98 0.00 0.00 173.24 173.49 1jil h PRO 249 N 0.22 0.59 -0.25 4.02 0.11 -1.92 0.34 132.00 135.11 1jil h PRO 249 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1jil h PRO 249 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1jil h PRO 249 CO 0.53 0.39 0.13 -0.92 -0.21 0.00 0.00 178.00 177.92 1jil h TYR 250 N 0.61 0.35 -0.75 0.65 3.20 -1.90 0.43 116.97 119.55 1jil h TYR 250 Ca 0.61 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.45 1jil h TYR 250 Cb 1.17 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1jil h TYR 250 CO -0.00 0.32 0.39 0.93 -1.64 0.00 0.00 178.16 178.15 1jil h GLU 251 N 0.28 1.06 0.40 1.82 5.08 -1.43 -0.24 114.58 121.55 1jil h GLU 251 Ca 0.09 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1jil h GLU 251 Cb 0.10 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1jil h GLU 251 CO -0.01 0.81 -0.19 0.35 -1.00 0.00 0.00 179.01 178.97 1jil h PHE 252 N 1.04 -0.50 -0.96 4.33 3.57 -0.62 -1.51 116.94 122.30 1jil h PHE 252 Ca 0.26 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.84 1jil h PHE 252 Cb 0.08 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 1jil h PHE 252 CO 0.00 -0.25 0.60 -0.92 -2.23 0.00 0.00 178.31 175.51 1jil h TYR 253 N -0.64 1.11 -0.23 0.41 5.03 -0.02 -1.79 116.97 120.84 1jil h TYR 253 Ca -0.06 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 1jil h TYR 253 Cb 0.47 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 1jil h TYR 253 CO -0.02 0.51 -0.26 1.96 -1.32 0.00 0.00 178.16 179.02 1jil h GLN 254 N 1.03 0.44 -0.60 1.82 1.08 -0.87 -2.01 115.11 115.99 1jil h GLN 254 Ca 0.44 -0.17 0.05 0.00 -1.45 0.00 0.00 58.65 57.53 1jil h GLN 254 Cb 0.31 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 1jil h GLN 254 CO -0.22 0.67 0.33 0.35 -0.95 0.00 0.00 178.83 179.01 1jil h PHE 255 N 0.39 0.61 -0.07 2.96 3.57 -0.37 -2.13 116.94 121.89 1jil h PHE 255 Ca 0.06 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 1jil h PHE 255 Cb 0.66 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.22 1jil h PHE 255 CO 0.02 0.31 -0.54 -1.49 -2.23 0.00 0.00 178.31 174.38 1jil h TRP 256 N 0.63 0.68 0.00 0.41 4.06 -1.35 -3.15 115.95 117.23 1jil h TRP 256 Ca 0.26 -0.32 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1jil h TRP 256 Cb 0.13 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1jil h TRP 256 CO -0.08 1.11 0.00 0.97 -3.56 0.00 0.00 178.44 176.88 1jil h ILE 257 N 0.06 0.00 -0.69 1.49 2.10 -1.29 -2.63 117.51 116.56 1jil h ILE 257 Ca -0.05 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1jil h ILE 257 Cb 1.20 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 1jil h ILE 257 CO 0.11 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.77 1jil n ASN 258 N -2.51 3.85 -4.78 2.19 3.02 -0.81 -4.85 115.26 111.37 1jil n ASN 258 Ca -0.00 -2.06 -0.36 0.00 -0.03 0.00 0.00 54.58 52.13 1jil n ASN 258 Cb 0.15 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1jil n ASN 258 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jil s GLN 259 N -1.17 3.65 0.87 3.52 -1.52 -0.99 -5.01 119.66 119.00 1jil s GLN 259 Ca 0.47 1.62 -0.11 0.00 -1.95 0.00 0.00 55.36 55.38 1jil s GLN 259 Cb 0.25 -2.21 0.11 0.00 -0.22 0.00 0.00 33.01 30.94 1jil s GLN 259 CO 0.31 -0.61 1.09 -1.54 -0.25 0.00 0.00 175.29 174.29 1jil s SER 260 N -1.64 3.70 0.37 5.90 1.04 -1.26 -4.80 113.70 117.00 1jil s SER 260 Ca 0.67 1.55 0.12 0.00 0.48 0.00 0.00 55.95 58.77 1jil s SER 260 Cb -0.24 -2.24 0.71 0.00 0.10 0.00 0.00 66.02 64.35 1jil s SER 260 CO 0.28 -2.51 1.83 0.44 0.98 0.00 0.00 173.24 174.26 1jil h ASP 261 N -1.46 0.03 0.65 7.02 3.45 -2.00 -1.00 116.42 123.12 1jil h ASP 261 Ca -0.48 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 56.92 1jil h ASP 261 Cb 1.27 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 40.03 1jil h ASP 261 CO 0.54 0.39 -0.22 -0.33 -1.57 0.00 0.00 179.24 178.05 1jil h GLU 262 N 0.03 0.00 0.00 3.56 3.07 -2.03 -3.31 114.58 115.90 1jil h GLU 262 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jil h GLU 262 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1jil h GLU 262 CO 0.05 0.22 -1.09 -0.25 -1.40 0.00 0.00 179.01 176.54 1jil n ASP 263 N -3.56 1.61 -0.23 1.42 10.43 -1.01 -4.78 116.55 120.42 1jil n ASP 263 Ca -0.01 -0.32 -0.02 0.00 2.57 0.00 0.00 54.79 57.00 1jil n ASP 263 Cb 0.37 1.30 0.09 0.00 1.84 0.00 0.00 41.12 44.71 1jil n ASP 263 CO 0.00 0.00 0.00 1.62 -1.07 0.00 0.00 177.20 177.75 1jil h VAL 264 N 0.00 1.01 -0.42 2.53 3.04 -1.28 -1.15 116.25 119.98 1jil h VAL 264 Ca 0.00 -0.25 -0.05 0.00 -1.01 0.00 0.00 66.70 65.39 1jil h VAL 264 Cb 0.41 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 1jil h VAL 264 CO 0.00 0.13 0.06 0.40 -1.01 0.00 0.00 177.57 177.15 1jil h ILE 265 N 0.73 1.25 -0.82 3.17 1.08 -1.86 -0.94 117.51 120.12 1jil h ILE 265 Ca 0.29 -0.90 0.03 0.00 -0.39 0.00 0.00 64.86 63.88 1jil h ILE 265 Cb 0.12 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 1jil h ILE 265 CO -0.15 0.31 0.53 0.50 -0.69 0.00 0.00 178.15 178.65 1jil h LYS 266 N 0.56 1.01 0.00 2.37 3.64 -1.82 -1.41 116.57 120.92 1jil h LYS 266 Ca 0.13 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1jil h LYS 266 Cb 0.39 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1jil h LYS 266 CO 0.01 0.67 -0.36 0.74 -2.27 0.00 0.00 179.45 178.24 1jil h PHE 267 N 1.04 0.00 -0.32 1.91 0.04 -0.79 -0.17 116.94 118.66 1jil h PHE 267 Ca 0.32 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.97 1jil h PHE 267 Cb -0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1jil h PHE 267 CO -0.02 0.36 -0.29 -0.07 -0.60 0.00 0.00 178.31 177.69 1jil h LEU 268 N 0.00 0.67 -0.39 1.54 3.38 -0.25 0.77 115.31 121.02 1jil h LEU 268 Ca -0.00 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.53 1jil h LEU 268 Cb 0.70 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jil h LEU 268 CO 0.05 0.92 -0.55 0.11 0.09 0.00 0.00 178.44 179.06 1jil h LYS 269 N 0.56 0.74 0.06 1.13 1.57 -0.80 -2.05 116.57 117.78 1jil h LYS 269 Ca 0.07 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1jil h LYS 269 Cb 0.78 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1jil h LYS 269 CO 0.06 1.09 -0.03 1.88 -0.57 0.00 0.00 179.45 181.89 1jil h TYR 270 N 0.57 -0.08 -0.02 -1.35 0.05 -0.83 -3.40 116.97 111.92 1jil h TYR 270 Ca 0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1jil h TYR 270 Cb 1.13 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.90 1jil h TYR 270 CO 0.06 0.48 -0.35 1.19 -1.05 0.00 0.00 178.16 178.48 1jil n PHE 271 N -4.84 0.00 -4.51 4.88 3.01 0.24 -4.89 117.46 111.35 1jil n PHE 271 Ca -0.08 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 1jil n PHE 271 Cb 0.29 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.65 1jil n PHE 271 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1jil s THR 272 N -2.36 2.07 -0.30 4.37 -4.23 -0.77 -4.80 115.64 109.62 1jil s THR 272 Ca 0.21 -2.19 0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1jil s THR 272 Cb 0.19 -2.57 0.76 0.00 1.34 0.00 0.00 72.50 72.21 1jil s THR 272 CO 0.51 -0.24 1.78 0.49 -0.54 0.00 0.00 174.62 176.62 1jil n PHE 273 N -0.72 2.32 -2.39 3.99 3.72 -1.26 -4.81 117.46 118.31 1jil n PHE 273 Ca -0.05 -1.10 -0.37 0.00 -0.05 0.00 0.00 57.45 55.88 1jil n PHE 273 Cb 0.63 -0.64 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 1jil n PHE 273 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1jil s LEU 274 N -2.95 4.05 0.77 4.37 1.43 -1.26 -5.02 118.68 120.06 1jil s LEU 274 Ca 0.55 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.70 1jil s LEU 274 Cb 0.43 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1jil s LEU 274 CO 0.14 -0.74 1.12 -0.83 0.23 0.00 0.00 176.35 176.27 1jil s GLY 275 N -1.49 1.61 0.30 -3.19 0.00 -1.26 -4.85 107.32 98.44 1jil s GLY 275 Ca 0.62 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.95 1jil s GLY 275 CO 0.31 0.02 1.89 1.70 0.00 0.00 0.00 173.10 177.02 1jil h LYS 276 N -0.93 0.95 -0.26 2.90 3.64 -1.98 -1.50 116.57 119.38 1jil h LYS 276 Ca -0.46 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1jil h LYS 276 Cb 1.28 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1jil h LYS 276 CO 0.63 0.63 0.12 0.93 -2.27 0.00 0.00 179.45 179.50 1jil h GLU 277 N 0.98 0.38 -0.53 1.90 5.08 -1.99 0.13 114.58 120.52 1jil h GLU 277 Ca 0.42 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 1jil h GLU 277 Cb 0.32 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1jil h GLU 277 CO -0.18 0.37 -0.06 1.49 -1.00 0.00 0.00 179.01 179.63 1jil h GLU 278 N 0.29 0.99 -0.55 2.33 4.57 -1.85 -2.25 114.58 118.10 1jil h GLU 278 Ca 0.09 -0.35 -0.09 0.00 -1.18 0.00 0.00 59.36 57.84 1jil h GLU 278 Cb 0.12 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1jil h GLU 278 CO -0.01 1.02 0.01 0.82 -1.18 0.00 0.00 179.01 179.67 1jil h ILE 279 N 0.86 1.26 -0.22 2.32 2.04 -1.12 -1.88 117.51 120.77 1jil h ILE 279 Ca 0.14 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 1jil h ILE 279 Cb 0.62 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1jil h ILE 279 CO 0.04 0.40 -0.06 0.44 0.00 0.00 0.00 178.15 178.96 1jil h ASP 280 N 0.85 0.31 -0.52 1.72 3.32 -0.62 -1.01 116.42 120.47 1jil h ASP 280 Ca 0.16 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1jil h ASP 280 Cb 0.53 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1jil h ASP 280 CO 0.03 0.42 -0.11 -0.09 -1.72 0.00 0.00 179.24 177.76 1jil h ARG 281 N 0.32 1.00 -0.07 3.56 1.12 -1.09 -2.01 114.38 117.22 1jil h ARG 281 Ca 0.07 -0.38 -0.10 0.00 -1.11 0.00 0.00 59.98 58.47 1jil h ARG 281 Cb 0.32 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 1jil h ARG 281 CO 0.01 1.06 -0.40 -0.07 -3.11 0.00 0.00 179.97 177.46 1jil h LEU 282 N 0.87 0.16 -0.39 3.80 3.38 -0.85 -1.21 115.31 121.07 1jil h LEU 282 Ca 0.13 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1jil h LEU 282 Cb 0.68 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1jil h LEU 282 CO 0.05 0.55 -0.56 -0.08 0.09 0.00 0.00 178.44 178.49 1jil h GLU 283 N 0.13 0.73 -0.47 1.13 4.81 -0.78 -0.90 114.58 119.24 1jil h GLU 283 Ca 0.01 -0.47 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 1jil h GLU 283 Cb 0.77 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1jil h GLU 283 CO 0.06 1.10 -0.10 1.96 -0.73 0.00 0.00 179.01 181.30 1jil h GLN 284 N 0.56 0.89 -0.93 1.92 1.08 -1.16 -1.13 115.11 116.34 1jil h GLN 284 Ca 0.01 -0.33 0.01 0.00 -1.45 0.00 0.00 58.65 56.88 1jil h GLN 284 Cb 1.14 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.47 1jil h GLN 284 CO 0.12 0.98 0.62 1.03 -0.95 0.00 0.00 178.83 180.62 1jil h SER 285 N 0.73 1.07 -0.44 1.46 0.87 -1.11 0.10 113.55 116.23 1jil h SER 285 Ca 0.12 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1jil h SER 285 Cb 0.64 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1jil h SER 285 CO 0.04 0.78 0.06 0.50 -0.53 0.00 0.00 176.83 177.68 1jil h LYS 286 N 1.27 0.81 -0.01 2.24 3.11 -0.76 0.49 116.57 123.73 1jil h LYS 286 Ca 0.34 -0.19 -0.22 0.00 -2.81 0.00 0.00 60.65 57.77 1jil h LYS 286 Cb -0.15 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 30.98 1jil h LYS 286 CO -0.07 0.78 -0.92 -0.91 -2.81 0.00 0.00 179.45 175.51 1jil h ASN 287 N 0.77 0.51 0.13 4.20 2.35 -0.52 -3.16 115.58 119.86 1jil h ASN 287 Ca 0.16 -0.40 -0.34 0.00 -0.55 0.00 0.00 56.30 55.17 1jil h ASN 287 Cb 0.38 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1jil h ASN 287 CO 0.01 1.20 -1.77 -0.33 -1.65 0.00 0.00 177.43 174.88 1jil h GLU 288 N 0.23 0.27 -2.08 0.81 5.08 -0.68 -3.42 114.58 114.79 1jil h GLU 288 Ca -0.07 -0.47 -0.55 0.00 -1.00 0.00 0.00 59.36 57.27 1jil h GLU 288 Cb 1.55 0.17 -0.40 0.00 0.50 0.00 0.00 28.75 30.57 1jil h GLU 288 CO 0.16 1.22 -0.97 0.00 -1.00 0.00 0.00 179.01 178.43 1jil n ALA 289 N -2.99 2.97 0.28 3.43 0.00 0.17 -4.93 120.51 119.43 1jil n ALA 289 Ca -0.29 -3.87 0.14 0.00 0.00 0.00 0.00 53.44 49.43 1jil n ALA 289 Cb 1.00 -0.85 0.87 0.00 0.00 0.00 0.00 19.45 20.47 1jil n ALA 289 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1jil h PRO 290 N 3.53 0.00 0.00 0.00 0.13 -1.60 -1.81 132.00 132.25 1jil h PRO 290 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1jil h PRO 290 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1jil h PRO 290 CO 0.60 0.00 0.00 1.12 -0.23 0.00 0.00 178.00 179.49 1jil h HIS 291 N 0.00 0.00 0.00 1.56 2.07 -1.91 -2.43 115.15 114.44 1jil h HIS 291 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1jil h HIS 291 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1jil h HIS 291 CO 0.00 0.00 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.58 1jil h LEU 292 N 0.00 0.00 -0.53 6.12 3.38 -1.69 -3.47 115.31 119.11 1jil h LEU 292 Ca 0.00 -0.06 -0.48 0.00 0.09 0.00 0.00 57.88 57.42 1jil h LEU 292 Cb 0.37 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.94 1jil h LEU 292 CO 0.00 0.03 -0.73 0.54 0.09 0.00 0.00 178.44 178.37 1jil n ARG 293 N -2.31 -3.17 -0.29 1.13 5.12 -0.92 -4.84 116.66 111.38 1jil n ARG 293 Ca 0.05 0.38 -0.05 0.00 -1.93 0.00 0.00 57.85 56.30 1jil n ARG 293 Cb 0.45 -5.10 0.07 0.00 -1.16 0.00 0.00 32.46 26.71 1jil n ARG 293 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1jil h GLU 294 N -1.28 1.10 -0.09 5.56 5.08 -1.86 -0.76 114.58 122.32 1jil h GLU 294 Ca -0.52 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1jil h GLU 294 Cb 1.34 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1jil h GLU 294 CO 0.69 0.81 0.05 0.00 -1.00 0.00 0.00 179.01 179.56 1jil h ALA 295 N 1.23 0.12 -0.23 3.43 0.00 -1.88 -0.38 119.26 121.56 1jil h ALA 295 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1jil h ALA 295 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jil h ALA 295 CO -0.05 -0.36 0.09 1.96 0.00 0.00 0.00 179.25 180.89 1jil h GLN 296 N 0.08 0.34 -0.39 0.00 7.50 -1.86 -1.39 115.11 119.39 1jil h GLN 296 Ca 0.03 -0.06 0.05 0.00 0.50 0.00 0.00 58.65 59.17 1jil h GLN 296 Cb 0.05 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.48 1jil h GLN 296 CO -0.01 0.39 0.11 0.87 -1.50 0.00 0.00 178.83 178.70 1jil h LYS 297 N 0.21 0.25 -0.63 1.46 1.57 -1.01 0.40 116.57 118.81 1jil h LYS 297 Ca 0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1jil h LYS 297 Cb 0.18 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1jil h LYS 297 CO -0.01 0.16 0.39 1.15 -0.57 0.00 0.00 179.45 180.57 1jil h THR 298 N 0.25 1.18 -0.10 -0.16 2.02 -0.94 -1.55 112.91 113.61 1jil h THR 298 Ca 0.18 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1jil h THR 298 Cb 0.19 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1jil h THR 298 CO -0.21 0.18 0.07 0.25 0.37 0.00 0.00 175.52 176.18 1jil h LEU 299 N 0.85 0.12 -0.74 2.58 5.85 -0.54 -0.95 115.31 122.48 1jil h LEU 299 Ca 0.23 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1jil h LEU 299 Cb -0.04 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1jil h LEU 299 CO -0.04 0.09 0.47 0.00 -0.34 0.00 0.00 178.44 178.61 1jil h ALA 300 N 1.04 0.95 0.20 1.25 0.00 -0.74 -2.45 119.26 119.50 1jil h ALA 300 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jil h ALA 300 Cb -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1jil h ALA 300 CO -0.01 0.39 -0.09 0.93 0.00 0.00 0.00 179.25 180.47 1jil h GLU 301 N 1.01 -0.26 -0.25 0.00 5.08 -1.05 -1.47 114.58 117.64 1jil h GLU 301 Ca 0.27 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1jil h GLU 301 Cb -0.07 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1jil h GLU 301 CO -0.05 0.02 -0.10 0.93 -1.00 0.00 0.00 179.01 178.81 1jil h GLU 302 N -0.53 -0.06 -0.09 2.33 4.39 -1.09 -1.20 114.58 118.34 1jil h GLU 302 Ca -0.03 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 1jil h GLU 302 Cb 0.40 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1jil h GLU 302 CO 0.04 -0.04 -0.83 0.28 -1.16 0.00 0.00 179.01 177.31 1jil h VAL 303 N -0.06 1.32 -0.33 3.13 2.07 -1.50 -2.39 116.25 118.49 1jil h VAL 303 Ca 0.13 -2.13 -0.08 0.00 0.82 0.00 0.00 66.70 65.44 1jil h VAL 303 Cb 0.25 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1jil h VAL 303 CO -0.29 0.66 -0.14 0.74 0.02 0.00 0.00 177.57 178.56 1jil h THR 304 N 0.40 1.24 -0.26 2.57 2.02 -1.11 -1.03 112.91 116.75 1jil h THR 304 Ca -0.06 -1.10 -0.13 0.00 0.77 0.00 0.00 66.41 65.89 1jil h THR 304 Cb 1.45 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1jil h THR 304 CO 0.16 0.36 -0.33 0.50 0.37 0.00 0.00 175.52 176.58 1jil h LYS 305 N 0.53 0.69 -0.65 6.66 3.64 -1.22 0.24 116.57 126.46 1jil h LYS 305 Ca 0.09 -0.39 0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1jil h LYS 305 Cb 0.55 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1jil h LYS 305 CO 0.03 1.01 0.42 0.35 -2.27 0.00 0.00 179.45 178.99 1jil h PHE 306 N 0.41 0.80 0.09 1.91 3.57 -1.12 0.70 116.94 123.31 1jil h PHE 306 Ca 0.03 0.02 -0.31 0.00 3.53 0.00 0.00 57.97 61.25 1jil h PHE 306 Cb 0.91 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1jil h PHE 306 CO 0.08 0.49 -1.60 0.82 -2.23 0.00 0.00 178.31 175.87 1jil h ILE 307 N 0.85 1.05 -0.00 1.41 1.08 -1.12 -3.41 117.51 117.38 1jil h ILE 307 Ca 0.25 -2.75 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 1jil h ILE 307 Cb -0.06 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1jil h ILE 307 CO -0.07 0.78 -0.12 1.41 -0.69 0.00 0.00 178.15 179.46 1jil n HIS 308 N -3.37 0.00 0.00 1.37 8.25 0.85 -5.05 115.22 117.27 1jil n HIS 308 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1jil n HIS 308 Cb 1.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 1jil n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jil n GLY 309 N 1.00 0.05 0.41 -1.41 0.00 0.24 -4.38 105.19 101.10 1jil n GLY 309 Ca 0.01 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1jil n GLY 309 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jil h GLU 310 N 0.00 -0.42 -0.54 1.61 4.57 -1.90 -2.47 114.58 115.42 1jil h GLU 310 Ca 0.00 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.32 1jil h GLU 310 Cb 0.00 0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 28.58 1jil h GLU 310 CO 0.00 -0.28 -0.16 -0.44 -1.18 0.00 0.00 179.01 176.95 1jil h ASP 311 N -0.44 -0.59 -0.26 1.04 5.19 -1.98 -1.10 116.42 118.28 1jil h ASP 311 Ca 0.09 0.17 -0.06 0.00 -0.62 0.00 0.00 57.03 56.62 1jil h ASP 311 Cb 0.62 0.37 -0.02 0.00 0.18 0.00 0.00 39.33 40.47 1jil h ASP 311 CO -0.47 -0.20 -0.01 0.00 -3.12 0.00 0.00 179.24 175.44 1jil h ALA 312 N 1.47 1.30 0.87 3.45 0.00 -1.72 -2.49 119.26 122.14 1jil h ALA 312 Ca 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jil h ALA 312 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jil h ALA 312 CO -0.57 0.47 -0.46 1.25 0.00 0.00 0.00 179.25 179.94 1jil h LEU 313 N 0.55 -1.12 -0.75 0.00 6.46 -0.76 -1.56 115.31 118.13 1jil h LEU 313 Ca 0.12 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 58.08 1jil h LEU 313 Cb 0.37 0.31 -0.10 0.00 -0.73 0.00 0.00 40.66 40.50 1jil h LEU 313 CO 0.01 -0.75 0.26 0.78 -0.62 0.00 0.00 178.44 178.12 1jil h ASN 314 N -1.22 0.18 0.17 1.25 2.35 -1.25 0.38 115.58 117.43 1jil h ASN 314 Ca -0.12 0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1jil h ASN 314 Cb 0.95 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 1jil h ASN 314 CO 0.16 0.04 -0.21 0.44 -1.65 0.00 0.00 177.43 176.22 1jil h ASP 315 N 0.37 0.08 0.64 5.81 3.45 -1.31 -1.06 116.42 124.41 1jil h ASP 315 Ca 0.42 -0.02 -0.20 0.00 0.43 0.00 0.00 57.03 57.66 1jil h ASP 315 Cb 0.69 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.42 1jil h ASP 315 CO -0.45 0.30 -0.91 0.00 -1.57 0.00 0.00 179.24 176.61 1jil h ALA 316 N 1.71 0.48 -0.00 3.45 0.00 0.53 -2.02 119.26 123.41 1jil h ALA 316 Ca 0.01 -0.76 -0.09 0.00 0.00 0.00 0.00 54.91 54.08 1jil h ALA 316 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jil h ALA 316 CO 0.03 0.96 -0.42 0.82 0.00 0.00 0.00 179.25 180.64 1jil h ILE 317 N 0.09 1.30 0.20 0.00 2.04 0.43 -1.77 117.51 119.79 1jil h ILE 317 Ca -0.05 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 1jil h ILE 317 Cb 1.56 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1jil h ILE 317 CO 0.14 0.41 -0.09 0.03 0.00 0.00 0.00 178.15 178.63 1jil h ARG 318 N 0.00 -0.25 -0.88 2.37 3.08 -1.12 -2.51 114.38 115.07 1jil h ARG 318 Ca -0.00 0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.28 1jil h ARG 318 Cb 0.74 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 1jil h ARG 318 CO 0.05 -0.05 0.60 0.82 -1.07 0.00 0.00 179.97 180.33 1jil h ILE 319 N -1.03 0.64 -0.30 2.04 2.04 -1.39 0.48 117.51 119.98 1jil h ILE 319 Ca -0.03 -0.09 -0.16 0.00 1.00 0.00 0.00 64.86 65.59 1jil h ILE 319 Cb 0.32 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1jil h ILE 319 CO 0.04 0.05 -0.44 0.28 0.00 0.00 0.00 178.15 178.08 1jil h SER 320 N 0.25 0.82 0.67 1.72 0.02 -1.36 -0.82 113.55 114.86 1jil h SER 320 Ca 0.44 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1jil h SER 320 Cb 1.33 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1jil h SER 320 CO -0.12 1.14 -0.43 1.56 -1.14 0.00 0.00 176.83 177.84 1jil h GLN 321 N 0.61 0.00 0.12 3.45 4.20 -0.48 -3.08 115.11 119.94 1jil h GLN 321 Ca 0.04 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 1jil h GLN 321 Cb 1.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.80 1jil h GLN 321 CO 0.10 0.43 -0.82 0.00 -0.67 0.00 0.00 178.83 177.87 1jil h ALA 322 N 1.57 -0.03 0.00 3.87 0.00 -1.19 -3.31 119.26 120.17 1jil h ALA 322 Ca -0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1jil h ALA 322 Cb 0.89 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1jil h ALA 322 CO 0.06 0.41 -0.04 -0.07 0.00 0.00 0.00 179.25 179.60 1jil h LEU 323 N -0.46 0.00 0.00 0.00 -0.00 -1.17 -3.51 115.31 110.17 1jil h LEU 323 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1jil h LEU 323 Cb 1.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.23 1jil h LEU 323 CO 0.11 0.04 0.00 2.22 -0.00 0.00 0.00 178.44 180.81