#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si9 s ARG 4 N 0.00 4.35 -0.42 1.09 0.52 -1.26 -5.05 118.95 118.19 1si9 s ARG 4 Ca 0.00 0.86 -0.12 0.00 -0.52 0.00 0.00 55.73 55.96 1si9 s ARG 4 Cb 0.00 -3.51 0.06 0.00 0.52 0.00 0.00 34.95 32.02 1si9 s ARG 4 CO 0.00 -0.10 0.28 0.99 0.02 0.00 0.00 175.30 176.49 1si9 s THR 5 N 1.39 4.67 0.49 0.02 2.01 -1.26 -5.08 115.64 117.87 1si9 s THR 5 Ca 0.36 -1.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 1si9 s THR 5 Cb -0.17 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 1si9 s THR 5 CO 0.15 -0.43 1.05 -2.16 -0.69 0.00 0.00 174.62 172.54 1si9 s PRO 6 N 1.54 3.77 -0.24 4.92 0.04 -1.26 -5.01 135.00 138.75 1si9 s PRO 6 Ca 0.03 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 1si9 s PRO 6 Cb -0.22 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1si9 s PRO 6 CO 0.05 -0.47 0.69 0.21 0.04 0.00 0.00 177.00 177.52 1si9 s LYS 7 N -3.20 4.15 0.50 4.56 2.20 -1.26 -5.05 119.74 121.64 1si9 s LYS 7 Ca 0.67 0.68 -0.20 0.00 -0.36 0.00 0.00 55.97 56.76 1si9 s LYS 7 Cb -0.17 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 1si9 s LYS 7 CO 0.21 -0.41 1.05 -0.51 -0.36 0.00 0.00 175.35 175.33 1si9 s LEU 8 N 2.48 3.80 -0.14 5.43 1.43 -1.26 -4.36 118.68 126.05 1si9 s LEU 8 Ca 0.29 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1si9 s LEU 8 Cb -0.16 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.49 1si9 s LEU 8 CO 0.09 -0.85 -0.10 -0.69 0.23 0.00 0.00 176.35 175.03 1si9 s VAL 9 N -2.02 3.34 -0.17 -1.59 1.01 -0.01 -1.20 120.40 119.78 1si9 s VAL 9 Ca 0.67 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 1si9 s VAL 9 Cb -0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1si9 s VAL 9 CO 0.22 0.51 0.01 -0.75 0.00 0.00 0.00 175.10 175.10 1si9 s LYS 10 N 0.35 3.80 -0.34 2.72 2.47 0.80 -0.52 119.74 129.01 1si9 s LYS 10 Ca -0.09 -0.43 -0.07 0.00 -1.56 0.00 0.00 55.97 53.83 1si9 s LYS 10 Cb -0.15 -3.06 0.04 0.00 -1.46 0.00 0.00 37.83 33.20 1si9 s LYS 10 CO 0.05 0.28 0.11 -1.58 0.16 0.00 0.00 175.35 174.37 1si9 s HIS 11 N 0.30 3.25 -0.25 4.03 5.65 0.76 -2.03 115.29 126.99 1si9 s HIS 11 Ca 0.00 -1.36 -0.02 0.00 0.25 0.00 0.00 55.06 53.93 1si9 s HIS 11 Cb -0.13 -2.29 0.02 0.00 -1.18 0.00 0.00 32.58 29.00 1si9 s HIS 11 CO 0.01 -0.71 -0.04 0.99 -0.65 0.00 0.00 174.74 174.34 1si9 s THR 12 N 1.42 3.06 -0.18 0.89 2.01 -1.02 -1.03 115.64 120.80 1si9 s THR 12 Ca -0.01 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 1si9 s THR 12 Cb -0.19 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1si9 s THR 12 CO 0.03 0.19 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.90 1si9 s LEU 13 N 1.36 3.16 -0.06 4.42 2.96 -0.30 -1.97 118.68 128.25 1si9 s LEU 13 Ca 0.01 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1si9 s LEU 13 Cb -0.17 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1si9 s LEU 13 CO -0.03 0.10 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.30 1si9 s LEU 14 N 0.77 3.32 0.08 -0.68 1.43 -0.45 -0.39 118.68 122.76 1si9 s LEU 14 Ca -0.01 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1si9 s LEU 14 Cb -0.14 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1si9 s LEU 14 CO 0.02 0.35 -0.07 0.42 0.23 0.00 0.00 176.35 177.30 1si9 s THR 15 N -0.89 0.62 0.03 5.49 -4.23 -0.82 -1.52 115.64 114.33 1si9 s THR 15 Ca 0.14 -1.66 0.08 0.00 -1.18 0.00 0.00 61.69 59.08 1si9 s THR 15 Cb -0.11 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 1si9 s THR 15 CO 0.03 -0.72 -0.25 -0.60 -0.54 0.00 0.00 174.62 172.54 1si9 s ARG 16 N -3.12 1.72 0.06 3.99 3.52 -1.12 -1.05 118.95 122.95 1si9 s ARG 16 Ca 0.05 -1.02 -0.07 0.00 -0.13 0.00 0.00 55.73 54.55 1si9 s ARG 16 Cb 0.01 -1.84 -0.05 0.00 -1.56 0.00 0.00 34.95 31.50 1si9 s ARG 16 CO -0.03 0.48 0.32 -0.06 -0.81 0.00 0.00 175.30 175.20 1si9 s PHE 17 N -0.76 3.56 0.50 5.12 0.40 -1.26 -0.50 117.98 125.04 1si9 s PHE 17 Ca 0.10 0.62 -0.23 0.00 -0.60 0.00 0.00 56.93 56.82 1si9 s PHE 17 Cb -0.10 -2.03 -0.07 0.00 0.51 0.00 0.00 43.02 41.33 1si9 s PHE 17 CO 0.01 0.55 1.27 1.63 0.70 0.00 0.00 175.22 179.39 1si9 n LYS 18 N 0.83 1.71 0.08 0.44 4.01 -0.57 -4.65 118.16 120.02 1si9 n LYS 18 Ca -0.08 0.62 0.03 0.00 -0.51 0.00 0.00 58.31 58.37 1si9 n LYS 18 Cb 0.52 -2.45 0.42 0.00 -0.51 0.00 0.00 35.03 33.01 1si9 n LYS 18 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1si9 h ASP 19 N 1.61 0.31 1.12 4.39 3.32 -1.97 -2.06 116.42 123.14 1si9 h ASP 19 Ca -0.49 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1si9 h ASP 19 Cb 1.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1si9 h ASP 19 CO 0.58 0.35 0.00 1.05 -1.72 0.00 0.00 179.24 179.50 1si9 h GLU 20 N 0.34 0.00 -6.28 3.56 9.09 -1.98 -3.44 114.58 115.88 1si9 h GLU 20 Ca 0.08 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.94 1si9 h GLU 20 Cb 0.19 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.28 1si9 h GLU 20 CO 0.00 0.00 0.85 0.42 0.05 0.00 0.00 179.01 180.34 1si9 s ILE 21 N -3.29 3.99 0.59 -1.06 -1.09 -0.78 -4.99 121.20 114.58 1si9 s ILE 21 Ca 0.06 1.30 -0.13 0.00 -2.23 0.00 0.00 60.65 59.64 1si9 s ILE 21 Cb 0.10 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1si9 s ILE 21 CO 0.50 -0.05 1.02 0.42 -1.23 0.00 0.00 174.94 175.61 1si9 s THR 22 N 2.89 4.46 0.32 2.92 -4.23 -1.26 -4.91 115.64 115.83 1si9 s THR 22 Ca 0.60 0.97 0.04 0.00 -1.18 0.00 0.00 61.69 62.12 1si9 s THR 22 Cb -0.27 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.16 1si9 s THR 22 CO 0.22 -0.88 1.88 0.08 -0.54 0.00 0.00 174.62 175.38 1si9 h ARG 23 N 0.14 0.85 -0.59 3.99 -0.00 -1.96 -1.53 114.38 115.27 1si9 h ARG 23 Ca -0.45 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.98 59.47 1si9 h ARG 23 Cb 1.19 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.97 30.94 1si9 h ARG 23 CO 0.61 0.56 0.33 0.93 -0.00 0.00 0.00 179.97 182.40 1si9 h GLU 24 N 0.88 0.82 -0.87 0.08 3.07 -1.99 -1.33 114.58 115.23 1si9 h GLU 24 Ca 0.43 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1si9 h GLU 24 Cb 0.45 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 1si9 h GLU 24 CO -0.19 0.62 0.46 1.96 -1.40 0.00 0.00 179.01 180.46 1si9 h GLN 25 N 0.80 1.23 -0.19 2.33 4.20 -1.66 -1.55 115.11 120.27 1si9 h GLN 25 Ca 0.21 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1si9 h GLN 25 Cb 0.03 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 1si9 h GLN 25 CO -0.03 0.91 -0.28 0.82 -0.67 0.00 0.00 178.83 179.58 1si9 h ILE 26 N 1.23 1.34 -0.44 2.54 2.04 -1.17 -0.61 117.51 122.44 1si9 h ILE 26 Ca 0.31 -1.49 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1si9 h ILE 26 Cb 0.06 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1si9 h ILE 26 CO -0.05 0.46 0.19 0.44 0.00 0.00 0.00 178.15 179.19 1si9 h ASP 27 N 0.19 0.24 -0.57 1.72 3.32 -1.11 0.27 116.42 120.48 1si9 h ASP 27 Ca 0.02 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1si9 h ASP 27 Cb 0.86 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1si9 h ASP 27 CO 0.07 0.17 0.22 0.78 -1.72 0.00 0.00 179.24 178.76 1si9 h ASN 28 N 0.38 0.79 -0.29 6.45 -0.26 -1.19 -1.80 115.58 119.66 1si9 h ASN 28 Ca 0.20 -0.17 -0.13 0.00 -0.56 0.00 0.00 56.30 55.63 1si9 h ASN 28 Cb 0.15 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 1si9 h ASN 28 CO -0.17 0.75 -0.30 1.88 -1.06 0.00 0.00 177.43 178.53 1si9 h TYR 29 N 0.79 0.93 -0.70 1.19 0.99 -0.72 -1.37 116.97 118.07 1si9 h TYR 29 Ca 0.19 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 1si9 h TYR 29 Cb 0.21 -0.21 -0.03 0.00 1.00 0.00 0.00 36.73 37.70 1si9 h TYR 29 CO 0.01 1.00 0.38 0.82 -0.00 0.00 0.00 178.16 180.37 1si9 h ILE 30 N 0.68 1.21 -0.61 -2.88 2.04 -0.84 0.65 117.51 117.76 1si9 h ILE 30 Ca 0.08 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1si9 h ILE 30 Cb 0.83 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1si9 h ILE 30 CO 0.07 0.23 0.20 0.78 0.00 0.00 0.00 178.15 179.44 1si9 h ASN 31 N 0.98 0.87 -0.46 1.72 2.35 -0.85 -1.07 115.58 119.12 1si9 h ASN 31 Ca 0.25 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1si9 h ASN 31 Cb 0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1si9 h ASN 31 CO -0.04 0.84 0.16 0.44 -1.65 0.00 0.00 177.43 177.18 1si9 h ASP 32 N 0.86 0.71 -0.11 5.81 3.32 -0.56 -1.67 116.42 124.77 1si9 h ASP 32 Ca 0.20 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1si9 h ASP 32 Cb 0.27 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1si9 h ASP 32 CO -0.01 0.68 0.03 0.22 -1.72 0.00 0.00 179.24 178.44 1si9 h TYR 33 N 0.75 0.19 -0.29 4.55 -0.00 -0.45 -2.63 116.97 119.08 1si9 h TYR 33 Ca 0.17 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.86 1si9 h TYR 33 Cb 0.23 -0.05 -0.02 0.00 -0.00 0.00 0.00 36.73 36.89 1si9 h TYR 33 CO 0.01 0.33 0.10 1.15 -0.00 0.00 0.00 178.16 179.75 1si9 h THR 34 N -0.01 1.13 0.00 1.81 2.02 -1.00 -2.12 112.91 114.73 1si9 h THR 34 Ca 0.04 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1si9 h THR 34 Cb 0.23 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1si9 h THR 34 CO -0.00 0.15 -0.06 -1.13 0.37 0.00 0.00 175.52 174.85 1si9 h ASN 35 N 0.40 0.00 -0.62 4.18 -1.24 -0.93 -1.89 115.58 115.48 1si9 h ASN 35 Ca 0.10 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.25 1si9 h ASN 35 Cb 0.12 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.13 1si9 h ASN 35 CO -0.01 0.06 0.43 -0.07 -1.29 0.00 0.00 177.43 176.55 1si9 h LEU 36 N 0.00 0.23 -0.73 0.34 4.07 -1.26 -0.79 115.31 117.17 1si9 h LEU 36 Ca -0.00 0.01 0.15 0.00 0.08 0.00 0.00 57.88 58.12 1si9 h LEU 36 Cb 0.13 -0.04 -0.10 0.00 1.08 0.00 0.00 40.66 41.73 1si9 h LEU 36 CO 0.01 0.13 0.22 0.25 -1.08 0.00 0.00 178.44 177.97 1si9 h LEU 37 N 0.25 0.12 -0.52 1.67 5.85 -1.50 0.52 115.31 121.71 1si9 h LEU 37 Ca 0.30 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 59.03 1si9 h LEU 37 Cb 0.83 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1si9 h LEU 37 CO -0.06 0.02 -0.56 -0.78 -0.34 0.00 0.00 178.44 176.72 1si9 h ASP 38 N 0.34 0.00 0.82 1.25 -0.00 -1.33 -3.31 116.42 114.18 1si9 h ASP 38 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.44 1si9 h ASP 38 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.99 1si9 h ASP 38 CO -0.46 0.56 -0.93 0.18 -0.00 0.00 0.00 179.24 178.59 1si9 n LEU 39 N -3.47 0.73 -3.99 2.28 4.77 -0.67 -4.75 117.00 111.90 1si9 n LEU 39 Ca 0.00 0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 55.89 1si9 n LEU 39 Cb 0.66 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.50 1si9 n LEU 39 CO 0.40 -0.10 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.39 1si9 s ILE 40 N -3.28 2.07 0.45 -0.08 1.01 0.09 -4.98 121.20 116.48 1si9 s ILE 40 Ca 0.02 -2.13 0.16 0.00 0.00 0.00 0.00 60.65 58.71 1si9 s ILE 40 Cb 0.12 -2.49 0.35 0.00 0.01 0.00 0.00 42.46 40.44 1si9 s ILE 40 CO 0.78 -0.54 1.96 -0.65 0.00 0.00 0.00 174.94 176.48 1si9 h PRO 41 N 7.70 0.34 0.00 2.79 0.11 -1.85 -1.92 132.00 139.17 1si9 h PRO 41 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1si9 h PRO 41 Cb 1.02 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1si9 h PRO 41 CO 0.50 0.23 0.00 0.66 -0.21 0.00 0.00 178.00 179.18 1si9 h SER 42 N 0.35 0.00 -3.29 -2.05 4.64 -1.93 -3.42 113.55 107.84 1si9 h SER 42 Ca 0.31 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.08 1si9 h SER 42 Cb 0.74 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 1si9 h SER 42 CO -0.08 0.00 0.50 -0.32 -0.87 0.00 0.00 176.83 176.05 1si9 s MET 43 N -3.46 4.44 -0.19 4.77 0.00 -0.72 -4.44 119.30 119.69 1si9 s MET 43 Ca 0.03 1.35 0.14 0.00 0.00 0.00 0.00 55.69 57.21 1si9 s MET 43 Cb 0.09 -3.53 -0.22 0.00 0.00 0.00 0.00 34.83 31.18 1si9 s MET 43 CO 0.50 -0.25 0.01 1.63 0.00 0.00 0.00 175.02 176.91 1si9 n LYS 44 N 4.78 0.88 -3.60 4.11 4.76 -0.41 -4.99 118.16 123.70 1si9 n LYS 44 Ca 0.07 0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 1si9 n LYS 44 Cb 0.49 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 32.17 1si9 n LYS 44 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1si9 s SER 45 N -5.49 -0.33 -0.07 4.39 1.04 -1.23 -5.00 113.70 107.01 1si9 s SER 45 Ca -0.14 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 1si9 s SER 45 Cb 0.06 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.75 1si9 s SER 45 CO 0.72 -0.93 0.14 0.12 0.98 0.00 0.00 173.24 174.28 1si9 s PHE 46 N -3.80 -0.16 0.04 5.02 2.19 -1.26 -1.58 117.98 118.43 1si9 s PHE 46 Ca 0.04 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.80 1si9 s PHE 46 Cb 0.00 -0.14 -0.03 0.00 -1.31 0.00 0.00 43.02 41.55 1si9 s PHE 46 CO -0.10 -0.19 -0.04 -0.80 1.83 0.00 0.00 175.22 175.91 1si9 s ASN 47 N 1.48 0.48 0.18 6.13 0.01 -0.65 -5.01 114.94 117.57 1si9 s ASN 47 Ca -0.06 -0.68 -0.14 0.00 -0.71 0.00 0.00 52.86 51.27 1si9 s ASN 47 Cb -0.12 0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.67 1si9 s ASN 47 CO -0.06 -0.37 0.43 -1.66 -1.51 0.00 0.00 177.10 173.93 1si9 s TRP 48 N -2.26 0.05 0.11 2.20 1.48 -1.26 -0.06 118.94 119.21 1si9 s TRP 48 Ca -0.07 -0.41 -0.14 0.00 -1.06 0.00 0.00 56.10 54.42 1si9 s TRP 48 Cb -0.04 0.23 0.05 0.00 -1.16 0.00 0.00 33.47 32.55 1si9 s TRP 48 CO -0.03 -0.84 0.68 0.41 -4.06 0.00 0.00 176.95 173.11 1si9 n GLY 49 N -0.29 0.82 3.29 3.67 0.00 -0.55 -5.00 105.19 107.13 1si9 n GLY 49 Ca -0.09 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 1si9 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1si9 s THR 50 N -2.23 1.63 -0.44 2.61 -4.23 -1.26 -1.38 115.64 110.34 1si9 s THR 50 Ca 0.15 -1.80 -0.45 0.00 -1.18 0.00 0.00 61.69 58.41 1si9 s THR 50 Cb -0.02 -1.70 -0.18 0.00 1.34 0.00 0.00 72.50 71.94 1si9 s THR 50 CO 0.03 -0.33 1.70 -0.67 -0.54 0.00 0.00 174.62 174.82 1si9 n ASP 51 N 0.47 1.53 0.08 3.99 4.64 0.19 -4.84 116.55 122.61 1si9 n ASP 51 Ca -0.15 1.10 0.13 0.00 -1.38 0.00 0.00 54.79 54.49 1si9 n ASP 51 Cb 0.57 -0.96 0.40 0.00 -1.04 0.00 0.00 41.12 40.08 1si9 n ASP 51 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1si9 n LEU 52 N 4.82 0.69 -0.35 -2.67 4.77 -1.26 -4.93 117.00 118.06 1si9 n LEU 52 Ca 0.32 0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 56.78 1si9 n LEU 52 Cb 0.00 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1si9 n LEU 52 CO 0.87 -0.13 -0.04 0.61 -1.33 0.00 0.00 177.39 177.37 1si9 n GLY 53 N 1.34 0.33 0.50 -0.72 0.00 -1.26 -4.93 105.19 100.46 1si9 n GLY 53 Ca 0.05 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.38 1si9 n GLY 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1si9 n MET 54 N -1.72 1.49 -4.15 1.61 2.81 -1.26 -4.98 117.12 110.93 1si9 n MET 54 Ca -0.04 -1.05 -0.23 0.00 -1.81 0.00 0.00 57.70 54.58 1si9 n MET 54 Cb 0.42 -1.39 -0.06 0.00 -0.71 0.00 0.00 33.22 31.48 1si9 n MET 54 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1si9 s GLU 55 N -2.16 2.42 0.07 0.03 -1.05 -1.26 -5.07 118.70 111.68 1si9 s GLU 55 Ca 0.17 -1.45 -0.37 0.00 -0.15 0.00 0.00 54.97 53.18 1si9 s GLU 55 Cb 0.16 -2.22 -0.18 0.00 -0.44 0.00 0.00 34.13 31.45 1si9 s GLU 55 CO 0.46 0.22 1.17 0.43 0.95 0.00 0.00 175.26 178.50 1si9 n SER 56 N -1.08 0.81 0.25 0.83 7.64 -1.26 -4.79 113.62 116.03 1si9 n SER 56 Ca -0.05 1.14 0.17 0.00 1.01 0.00 0.00 58.87 61.14 1si9 n SER 56 Cb 0.60 -1.08 0.89 0.00 -1.01 0.00 0.00 64.21 63.62 1si9 n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1si9 h ALA 57 N 3.61 1.62 -0.06 -0.43 0.00 -1.97 -1.29 119.26 120.73 1si9 h ALA 57 Ca -0.47 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1si9 h ALA 57 Cb 1.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1si9 h ALA 57 CO 0.71 -0.17 -0.62 0.93 0.00 0.00 0.00 179.25 180.10 1si9 h GLU 58 N 0.00 0.23 0.00 0.00 3.07 -2.03 -3.38 114.58 112.47 1si9 h GLU 58 Ca 0.05 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 1si9 h GLU 58 Cb 0.29 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1si9 h GLU 58 CO -0.00 0.77 -0.22 -0.07 -1.40 0.00 0.00 179.01 178.09 1si9 h LEU 59 N 0.17 0.00 0.00 1.33 4.07 -1.58 0.83 115.31 120.14 1si9 h LEU 59 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1si9 h LEU 59 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1si9 h LEU 59 CO 0.09 0.22 0.00 -0.46 -1.08 0.00 0.00 178.44 177.21 1si9 n ASN 60 N -3.86 0.00 -3.96 -0.43 0.23 -1.26 -4.92 115.26 101.06 1si9 n ASN 60 Ca -0.02 -0.06 -0.31 0.00 -0.53 0.00 0.00 54.58 53.66 1si9 n ASN 60 Cb 0.31 -0.31 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 1si9 n ASN 60 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1si9 n ARG 61 N -1.31 -5.14 0.00 -3.83 5.12 0.29 -1.87 116.66 109.91 1si9 n ARG 61 Ca 0.13 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 1si9 n ARG 61 Cb 0.25 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.13 1si9 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1si9 n GLY 62 N -1.65 2.47 3.73 -0.13 0.00 -1.26 -5.02 105.19 103.34 1si9 n GLY 62 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1si9 n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1si9 s TYR 63 N -2.27 3.55 -0.12 1.61 2.02 -0.78 -4.62 117.35 116.75 1si9 s TYR 63 Ca 0.00 1.53 0.13 0.00 -0.37 0.00 0.00 57.07 58.36 1si9 s TYR 63 Cb 0.00 -3.31 -0.18 0.00 -0.40 0.00 0.00 41.96 38.07 1si9 s TYR 63 CO 0.00 -0.75 0.10 0.25 -1.57 0.00 0.00 175.55 173.57 1si9 n THR 64 N 2.81 0.80 -4.77 -0.71 -2.24 -0.21 -4.80 114.28 105.15 1si9 n THR 64 Ca 0.04 -0.55 -0.28 0.00 -2.27 0.00 0.00 64.05 60.99 1si9 n THR 64 Cb 0.46 -0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.06 1si9 n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1si9 s HIS 65 N -2.46 2.13 -0.04 4.78 3.76 -0.99 -0.63 115.29 121.83 1si9 s HIS 65 Ca -0.07 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 1si9 s HIS 65 Cb 0.05 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 1si9 s HIS 65 CO 0.59 0.13 -0.20 0.00 -0.85 0.00 0.00 174.74 174.41 1si9 s ALA 66 N -0.83 1.71 -0.09 -1.40 0.00 -0.48 -1.93 121.76 118.74 1si9 s ALA 66 Ca 0.10 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1si9 s ALA 66 Cb -0.10 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1si9 s ALA 66 CO 0.02 0.35 -0.10 -0.06 0.00 0.00 0.00 175.76 175.97 1si9 s PHE 67 N -0.18 1.50 -0.21 0.00 0.40 0.47 -1.48 117.98 118.48 1si9 s PHE 67 Ca 0.00 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.67 1si9 s PHE 67 Cb -0.11 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.27 1si9 s PHE 67 CO 0.01 -0.41 -0.14 -1.21 0.70 0.00 0.00 175.22 174.17 1si9 s GLU 68 N 1.20 2.89 -0.13 0.44 2.02 0.92 -1.15 118.70 124.89 1si9 s GLU 68 Ca -0.04 -0.92 -0.02 0.00 0.02 0.00 0.00 54.97 54.01 1si9 s GLU 68 Cb -0.14 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 1si9 s GLU 68 CO -0.03 -0.30 -0.07 -1.12 0.02 0.00 0.00 175.26 173.76 1si9 s SER 69 N 1.29 4.54 -0.07 -0.19 0.01 -0.19 -1.64 113.70 117.44 1si9 s SER 69 Ca 0.02 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1si9 s SER 69 Cb -0.15 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 1si9 s SER 69 CO -0.09 0.20 -0.05 -0.89 0.41 0.00 0.00 173.24 172.82 1si9 s THR 70 N 0.17 3.85 0.32 1.44 2.01 -0.61 -0.17 115.64 122.65 1si9 s THR 70 Ca -0.04 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1si9 s THR 70 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1si9 s THR 70 CO 0.04 0.60 0.12 -0.36 -0.69 0.00 0.00 174.62 174.33 1si9 s PHE 71 N -0.80 1.69 -1.03 4.92 0.40 0.32 -1.29 117.98 122.19 1si9 s PHE 71 Ca 0.12 -1.24 0.19 0.00 -0.60 0.00 0.00 56.93 55.41 1si9 s PHE 71 Cb -0.11 -1.01 -0.19 0.00 0.51 0.00 0.00 43.02 42.23 1si9 s PHE 71 CO 0.02 -0.34 0.84 0.39 0.70 0.00 0.00 175.22 176.83 1si9 n GLU 72 N -0.65 0.71 -3.56 0.44 1.02 -1.26 -0.83 120.64 116.52 1si9 n GLU 72 Ca -0.01 -0.12 -0.07 0.00 -0.02 0.00 0.00 57.16 56.94 1si9 n GLU 72 Cb 0.65 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 1si9 n GLU 72 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1si9 s SER 73 N -2.76 -0.32 0.21 1.62 1.04 -1.26 -4.39 113.70 107.84 1si9 s SER 73 Ca 0.08 -0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.33 1si9 s SER 73 Cb 0.15 0.41 0.23 0.00 0.10 0.00 0.00 66.02 66.90 1si9 s SER 73 CO 0.76 -0.69 1.82 0.11 0.98 0.00 0.00 173.24 176.22 1si9 h LYS 74 N 2.00 0.73 0.00 4.02 1.57 -1.95 -2.43 116.57 120.50 1si9 h LYS 74 Ca -0.23 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1si9 h LYS 74 Cb 1.24 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1si9 h LYS 74 CO 0.30 0.48 -0.18 0.66 -0.57 0.00 0.00 179.45 180.14 1si9 h SER 75 N 0.75 0.00 -0.17 0.86 4.64 -1.98 0.15 113.55 117.80 1si9 h SER 75 Ca 0.30 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.41 1si9 h SER 75 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1si9 h SER 75 CO -0.16 0.18 -0.69 1.23 -0.87 0.00 0.00 176.83 176.52 1si9 h GLY 76 N 0.87 0.84 0.98 -0.77 0.00 -1.85 -1.94 103.07 101.20 1si9 h GLY 76 Ca -0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 47.33 46.15 1si9 h GLY 76 CO 0.02 1.03 0.22 -2.00 0.00 0.00 0.00 176.54 175.81 1si9 h LEU 77 N 0.49 0.70 -0.69 3.11 6.46 -0.95 -2.46 115.31 121.97 1si9 h LEU 77 Ca -0.04 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1si9 h LEU 77 Cb 1.32 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 41.04 1si9 h LEU 77 CO 0.14 0.66 0.29 -0.61 -0.62 0.00 0.00 178.44 178.31 1si9 h GLN 78 N 0.70 1.01 -0.56 1.25 5.75 -0.68 0.31 115.11 122.89 1si9 h GLN 78 Ca 0.18 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1si9 h GLN 78 Cb 0.17 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1si9 h GLN 78 CO -0.02 0.83 0.27 0.93 -2.65 0.00 0.00 178.83 178.20 1si9 h GLU 79 N 0.97 0.50 -0.46 1.69 5.08 -1.29 -0.45 114.58 120.61 1si9 h GLU 79 Ca 0.23 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1si9 h GLU 79 Cb 0.18 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1si9 h GLU 79 CO -0.02 0.33 0.25 -0.92 -1.00 0.00 0.00 179.01 177.65 1si9 h TYR 80 N 0.52 0.46 0.00 4.33 3.20 -0.86 -1.59 116.97 123.01 1si9 h TYR 80 Ca 0.25 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 1si9 h TYR 80 Cb 0.19 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1si9 h TYR 80 CO -0.11 0.24 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.30 1si9 h LEU 81 N 0.49 0.00 -0.93 2.82 3.38 -0.28 -2.70 115.31 118.09 1si9 h LEU 81 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1si9 h LEU 81 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1si9 h LEU 81 CO -0.12 0.28 -0.14 0.47 0.09 0.00 0.00 178.44 179.02 1si9 n ASP 82 N -3.98 1.59 -4.78 -0.43 10.43 -0.24 -4.90 116.55 114.24 1si9 n ASP 82 Ca -0.02 -1.35 -0.37 0.00 2.57 0.00 0.00 54.79 55.62 1si9 n ASP 82 Cb 0.35 0.10 -0.03 0.00 1.84 0.00 0.00 41.12 43.38 1si9 n ASP 82 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1si9 s SER 83 N -2.23 6.55 0.25 -2.24 1.04 -0.64 -4.94 113.70 111.49 1si9 s SER 83 Ca 0.30 2.13 -0.02 0.00 0.48 0.00 0.00 55.95 58.84 1si9 s SER 83 Cb 0.20 -2.59 0.32 0.00 0.10 0.00 0.00 66.02 64.05 1si9 s SER 83 CO 0.42 -0.64 1.72 0.00 0.98 0.00 0.00 173.24 175.72 1si9 h ALA 84 N 2.32 1.05 -0.59 5.32 0.00 -1.90 -2.65 119.26 122.80 1si9 h ALA 84 Ca -0.49 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.14 1si9 h ALA 84 Cb 1.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1si9 h ALA 84 CO 0.61 0.58 0.37 0.00 0.00 0.00 0.00 179.25 180.82 1si9 h ALA 85 N 1.22 0.77 -0.54 0.00 0.00 -1.93 -0.71 119.26 118.07 1si9 h ALA 85 Ca 0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1si9 h ALA 85 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1si9 h ALA 85 CO 0.04 0.12 -0.03 1.25 0.00 0.00 0.00 179.25 180.62 1si9 h LEU 86 N 0.74 0.96 -1.08 0.00 5.85 -1.81 -2.39 115.31 117.57 1si9 h LEU 86 Ca 0.23 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1si9 h LEU 86 Cb -0.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1si9 h LEU 86 CO -0.09 1.05 0.34 0.00 -0.34 0.00 0.00 178.44 179.41 1si9 h ALA 87 N 0.94 1.29 -0.39 1.25 0.00 -1.06 0.14 119.26 121.43 1si9 h ALA 87 Ca 0.15 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1si9 h ALA 87 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1si9 h ALA 87 CO 0.03 0.56 -0.37 0.00 0.00 0.00 0.00 179.25 179.47 1si9 h ALA 88 N 1.39 0.61 -0.11 0.00 0.00 -1.03 -2.20 119.26 117.91 1si9 h ALA 88 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1si9 h ALA 88 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1si9 h ALA 88 CO -0.03 0.68 0.03 0.35 0.00 0.00 0.00 179.25 180.27 1si9 h PHE 89 N 0.76 0.18 -0.45 0.00 3.04 -0.97 -3.24 116.94 116.26 1si9 h PHE 89 Ca 0.07 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 1si9 h PHE 89 Cb 0.95 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1si9 h PHE 89 CO 0.06 0.32 0.06 0.00 -2.02 0.00 0.00 178.31 176.74 1si9 h ALA 90 N 0.83 1.26 -0.62 2.41 0.00 -0.68 -0.69 119.26 121.78 1si9 h ALA 90 Ca 0.03 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1si9 h ALA 90 Cb 0.23 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1si9 h ALA 90 CO -0.00 0.50 0.14 1.49 0.00 0.00 0.00 179.25 181.38 1si9 h GLU 91 N 0.67 0.26 0.00 0.00 4.81 -1.42 -0.72 114.58 118.19 1si9 h GLU 91 Ca 0.14 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.15 1si9 h GLU 91 Cb 0.33 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1si9 h GLU 91 CO 0.01 0.17 -1.42 0.78 -0.73 0.00 0.00 179.01 177.82 1si9 h GLY 92 N 0.27 0.00 0.26 1.92 0.00 -1.59 -3.41 103.07 100.52 1si9 h GLY 92 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.56 1si9 h GLY 92 CO -0.41 0.00 -0.51 -2.75 0.00 0.00 0.00 176.54 172.87 1si9 h PHE 93 N 0.00 0.21 -0.85 5.60 -0.00 -0.73 -3.39 116.94 117.78 1si9 h PHE 93 Ca -0.18 -0.15 0.01 0.00 -0.00 0.00 0.00 57.97 57.64 1si9 h PHE 93 Cb 1.74 -0.01 -0.04 0.00 -0.00 0.00 0.00 35.95 37.64 1si9 h PHE 93 CO 0.00 1.20 0.55 -0.07 -0.00 0.00 0.00 178.31 179.99 1si9 h LEU 94 N -0.74 0.98 -1.98 0.59 3.38 -1.37 -1.49 115.31 114.68 1si9 h LEU 94 Ca -0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1si9 h LEU 94 Cb 1.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1si9 h LEU 94 CO 0.03 0.72 0.23 -0.65 0.09 0.00 0.00 178.44 178.86 1si9 h PRO 95 N 1.15 0.00 -0.01 1.13 0.11 -1.78 -1.94 132.00 130.66 1si9 h PRO 95 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1si9 h PRO 95 Cb -0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1si9 h PRO 95 CO -0.07 0.00 -0.08 0.25 -0.21 0.00 0.00 178.00 177.89 1si9 n THR 96 N -2.74 0.00 -3.68 -1.15 -2.24 -0.56 -4.91 114.28 98.99 1si9 n THR 96 Ca -0.02 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1si9 n THR 96 Cb 0.28 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 1si9 n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1si9 s LEU 97 N -2.21 4.40 -0.09 3.22 1.02 -0.73 -1.51 118.68 122.78 1si9 s LEU 97 Ca 0.34 0.69 0.05 0.00 0.02 0.00 0.00 54.13 55.23 1si9 s LEU 97 Cb 0.20 -2.57 -0.09 0.00 0.02 0.00 0.00 46.19 43.76 1si9 s LEU 97 CO 0.41 0.29 -0.02 -1.54 0.02 0.00 0.00 176.35 175.52 1si9 n SER 98 N 1.46 3.05 -4.56 2.29 3.41 0.35 -4.69 113.62 114.93 1si9 n SER 98 Ca -0.13 -0.02 -0.25 0.00 -0.26 0.00 0.00 58.87 58.20 1si9 n SER 98 Cb 0.53 0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 64.75 1si9 n SER 98 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1si9 s GLN 99 N -2.20 1.89 -0.23 4.33 -0.21 -1.07 -4.94 119.66 117.21 1si9 s GLN 99 Ca -0.08 -1.84 -0.27 0.00 0.02 0.00 0.00 55.36 53.19 1si9 s GLN 99 Cb 0.03 -1.79 0.12 0.00 1.00 0.00 0.00 33.01 32.37 1si9 s GLN 99 CO 0.30 0.17 1.01 0.50 -2.12 0.00 0.00 175.29 175.15 1si9 s ARG 100 N -3.63 0.56 -0.15 2.91 3.52 -1.26 -2.80 118.95 118.11 1si9 s ARG 100 Ca 0.33 0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 56.24 1si9 s ARG 100 Cb 0.00 0.27 0.04 0.00 -1.56 0.00 0.00 34.95 33.70 1si9 s ARG 100 CO 0.17 -0.11 0.38 -1.17 -0.81 0.00 0.00 175.30 173.76 1si9 s LEU 101 N -0.28 0.44 -0.02 -0.88 0.20 -0.58 -4.98 118.68 112.58 1si9 s LEU 101 Ca 0.01 0.78 0.03 0.00 0.69 0.00 0.00 54.13 55.63 1si9 s LEU 101 Cb -0.03 1.29 -0.00 0.00 -0.43 0.00 0.00 46.19 47.01 1si9 s LEU 101 CO -0.03 -0.14 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.10 1si9 s VAL 102 N 0.45 0.81 -0.13 1.68 1.01 -1.26 -1.34 120.40 121.62 1si9 s VAL 102 Ca -0.02 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1si9 s VAL 102 Cb -0.04 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.69 1si9 s VAL 102 CO -0.02 0.25 0.29 -0.51 0.00 0.00 0.00 175.10 175.10 1si9 s ILE 103 N 0.06 -0.22 -0.02 2.22 2.07 -0.83 -5.02 121.20 119.45 1si9 s ILE 103 Ca -0.01 0.19 -0.02 0.00 -1.41 0.00 0.00 60.65 59.40 1si9 s ILE 103 Cb -0.07 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1si9 s ILE 103 CO 0.00 0.08 0.12 -1.81 -1.91 0.00 0.00 174.94 171.42 1si9 s ASP 104 N 1.81 6.00 0.06 4.50 1.01 -1.26 -2.42 116.67 126.37 1si9 s ASP 104 Ca -0.05 0.26 -0.27 0.00 0.71 0.00 0.00 52.55 53.20 1si9 s ASP 104 Cb -0.11 -1.81 0.07 0.00 1.01 0.00 0.00 42.92 42.08 1si9 s ASP 104 CO -0.09 0.29 0.63 -0.72 0.21 0.00 0.00 175.17 175.49 1si9 s TYR 105 N -1.21 -0.59 0.61 4.23 -0.85 -0.86 -5.00 117.35 113.68 1si9 s TYR 105 Ca 0.23 0.70 -0.16 0.00 -0.52 0.00 0.00 57.07 57.32 1si9 s TYR 105 Cb -0.12 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1si9 s TYR 105 CO 0.14 -0.74 1.08 -0.06 -1.52 0.00 0.00 175.55 174.46 1si9 s PHE 106 N -2.56 2.81 -1.06 -3.49 0.40 -1.26 -0.14 117.98 112.68 1si9 s PHE 106 Ca -0.05 1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 57.69 1si9 s PHE 106 Cb -0.01 -3.10 0.22 0.00 0.51 0.00 0.00 43.02 40.64 1si9 s PHE 106 CO -0.02 -1.37 1.13 -0.51 0.70 0.00 0.00 175.22 175.15 1si9 s LEU 107 N -4.53 5.92 0.00 -0.37 1.43 -0.34 -4.84 118.68 115.95 1si9 s LEU 107 Ca 0.66 -3.06 0.24 0.00 -1.03 0.00 0.00 54.13 50.93 1si9 s LEU 107 Cb -0.19 -2.29 1.40 0.00 0.03 0.00 0.00 46.19 45.15 1si9 s LEU 107 CO 0.37 -0.56 1.77 -1.22 0.23 0.00 0.00 176.35 176.94