#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 4.43 -0.45 -0.78 0.52 -1.26 -5.03 118.95 116.38 1si9 s ARG 4 Ca 0.00 1.75 -0.08 0.00 -0.52 0.00 0.00 55.73 56.88 1si9 s ARG 4 Cb 0.00 -2.95 0.11 0.00 0.52 0.00 0.00 34.95 32.63 1si9 s ARG 4 CO 0.00 0.03 0.30 0.99 0.02 0.00 0.00 175.30 176.64 1si9 s THR 5 N -1.32 3.98 0.49 0.02 2.01 -1.26 -5.09 115.64 114.47 1si9 s THR 5 Ca 0.50 -1.81 -0.22 0.00 0.31 0.00 0.00 61.69 60.47 1si9 s THR 5 Cb -0.30 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 1si9 s THR 5 CO 0.38 -0.72 1.17 -2.16 -0.69 0.00 0.00 174.62 172.59 1si9 s PRO 6 N 1.31 3.60 -0.37 4.92 0.04 -1.26 -4.99 135.00 138.25 1si9 s PRO 6 Ca 0.06 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.62 1si9 s PRO 6 Cb -0.25 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1si9 s PRO 6 CO -0.01 -0.68 0.82 0.21 0.04 0.00 0.00 177.00 177.37 1si9 s LYS 7 N -2.88 3.77 0.51 4.56 2.47 -1.26 -5.04 119.74 121.86 1si9 s LYS 7 Ca 0.67 0.37 -0.21 0.00 -1.56 0.00 0.00 55.97 55.24 1si9 s LYS 7 Cb -0.28 -3.81 -0.07 0.00 -1.46 0.00 0.00 37.83 32.21 1si9 s LYS 7 CO 0.33 -0.88 1.12 -0.51 0.16 0.00 0.00 175.35 175.57 1si9 s LEU 8 N 3.20 3.84 -0.12 5.43 1.43 -1.26 -4.36 118.68 126.84 1si9 s LEU 8 Ca 0.33 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.59 1si9 s LEU 8 Cb -0.13 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.59 1si9 s LEU 8 CO 0.17 -1.06 -0.09 -0.69 0.23 0.00 0.00 176.35 174.91 1si9 s VAL 9 N -1.74 3.41 -0.12 -1.59 1.01 0.57 -1.24 120.40 120.71 1si9 s VAL 9 Ca 0.69 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 1si9 s VAL 9 Cb -0.24 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1si9 s VAL 9 CO 0.28 0.53 -0.09 -0.75 0.00 0.00 0.00 175.10 175.07 1si9 s LYS 10 N 0.05 3.27 -0.31 2.72 2.47 0.60 -0.34 119.74 128.20 1si9 s LYS 10 Ca -0.03 -0.61 -0.00 0.00 -1.56 0.00 0.00 55.97 53.76 1si9 s LYS 10 Cb -0.14 -2.68 0.07 0.00 -1.46 0.00 0.00 37.83 33.62 1si9 s LYS 10 CO 0.04 0.34 0.02 -1.58 0.16 0.00 0.00 175.35 174.33 1si9 s HIS 11 N 0.04 3.37 -0.20 4.03 5.65 0.07 -1.76 115.29 126.49 1si9 s HIS 11 Ca -0.03 -2.17 -0.04 0.00 0.25 0.00 0.00 55.06 53.07 1si9 s HIS 11 Cb -0.14 -2.34 -0.02 0.00 -1.18 0.00 0.00 32.58 28.90 1si9 s HIS 11 CO 0.04 -0.86 -0.03 0.99 -0.65 0.00 0.00 174.74 174.23 1si9 s THR 12 N 1.17 3.64 -0.15 0.89 2.01 -0.60 -1.26 115.64 121.34 1si9 s THR 12 Ca -0.02 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 1si9 s THR 12 Cb -0.20 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1si9 s THR 12 CO -0.03 0.43 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.97 1si9 s LEU 13 N 1.15 2.56 -0.08 4.42 2.96 -0.50 -1.58 118.68 127.61 1si9 s LEU 13 Ca 0.02 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1si9 s LEU 13 Cb -0.15 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1si9 s LEU 13 CO 0.00 0.10 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.36 1si9 s LEU 14 N 0.74 3.49 0.09 -0.68 1.43 0.33 -0.60 118.68 123.47 1si9 s LEU 14 Ca -0.06 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1si9 s LEU 14 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1si9 s LEU 14 CO 0.01 0.37 -0.09 0.42 0.23 0.00 0.00 176.35 177.30 1si9 s THR 15 N -0.85 0.81 0.01 5.49 -4.23 -0.63 -1.28 115.64 114.97 1si9 s THR 15 Ca 0.13 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1si9 s THR 15 Cb -0.11 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 1si9 s THR 15 CO 0.02 -0.65 -0.25 -0.60 -0.54 0.00 0.00 174.62 172.60 1si9 s ARG 16 N -3.01 1.89 0.09 3.99 3.52 -0.88 -1.12 118.95 123.42 1si9 s ARG 16 Ca 0.06 -1.00 -0.09 0.00 -0.13 0.00 0.00 55.73 54.57 1si9 s ARG 16 Cb -0.01 -1.94 -0.06 0.00 -1.56 0.00 0.00 34.95 31.38 1si9 s ARG 16 CO -0.01 0.52 0.39 -0.06 -0.81 0.00 0.00 175.30 175.32 1si9 s PHE 17 N -0.70 3.56 0.52 5.12 0.40 -1.26 -0.08 117.98 125.54 1si9 s PHE 17 Ca 0.10 0.74 -0.21 0.00 -0.60 0.00 0.00 56.93 56.96 1si9 s PHE 17 Cb -0.10 -2.13 -0.07 0.00 0.51 0.00 0.00 43.02 41.23 1si9 s PHE 17 CO 0.01 0.51 1.05 1.63 0.70 0.00 0.00 175.22 179.11 1si9 n LYS 18 N 0.78 1.25 -0.07 0.44 5.02 0.71 -4.54 118.16 121.74 1si9 n LYS 18 Ca -0.07 0.46 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 1si9 n LYS 18 Cb 0.52 -2.19 0.51 0.00 -0.02 0.00 0.00 35.03 33.85 1si9 n LYS 18 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1si9 h ASP 19 N 1.12 0.36 1.03 4.39 3.45 -1.97 -2.63 116.42 122.16 1si9 h ASP 19 Ca -0.47 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 56.96 1si9 h ASP 19 Cb 1.34 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 40.04 1si9 h ASP 19 CO 0.54 0.22 -0.14 1.05 -1.57 0.00 0.00 179.24 179.34 1si9 h GLU 20 N 0.40 0.00 -6.22 3.56 4.11 -1.96 -3.44 114.58 111.02 1si9 h GLU 20 Ca 0.27 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 59.14 1si9 h GLU 20 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1si9 h GLU 20 CO -0.07 0.14 0.03 0.96 0.07 0.00 0.00 179.01 180.14 1si9 s ILE 21 N -3.62 4.76 0.51 -1.06 -5.25 -1.00 -5.03 121.20 110.51 1si9 s ILE 21 Ca 0.01 1.34 -0.06 0.00 -0.99 0.00 0.00 60.65 60.95 1si9 s ILE 21 Cb 0.09 -3.97 -0.03 0.00 2.95 0.00 0.00 42.46 41.50 1si9 s ILE 21 CO 0.61 0.47 0.84 0.42 -1.79 0.00 0.00 174.94 175.49 1si9 s THR 22 N -0.62 4.78 0.24 8.37 -4.23 -1.26 -4.93 115.64 117.99 1si9 s THR 22 Ca 0.32 0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 61.01 1si9 s THR 22 Cb -0.20 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 70.12 1si9 s THR 22 CO 0.20 -0.88 1.58 -0.09 -0.54 0.00 0.00 174.62 174.89 1si9 h ARG 23 N 0.09 -0.02 -0.36 3.99 2.43 -1.98 -1.91 114.38 116.63 1si9 h ARG 23 Ca -0.46 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1si9 h ARG 23 Cb 1.21 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1si9 h ARG 23 CO 0.62 -0.02 0.22 0.93 -1.51 0.00 0.00 179.97 180.21 1si9 h GLU 24 N -0.02 0.44 -0.91 0.20 5.08 -1.99 -0.99 114.58 116.37 1si9 h GLU 24 Ca 0.38 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1si9 h GLU 24 Cb 0.62 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1si9 h GLU 24 CO -0.88 0.29 0.61 1.96 -1.00 0.00 0.00 179.01 179.98 1si9 h GLN 25 N 0.45 1.19 -0.10 2.33 4.20 -1.79 -0.63 115.11 120.76 1si9 h GLN 25 Ca 0.14 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1si9 h GLN 25 Cb -0.01 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.49 1si9 h GLN 25 CO -0.06 0.79 -0.02 0.82 -0.67 0.00 0.00 178.83 179.69 1si9 h ILE 26 N 1.23 1.29 -0.47 2.54 2.04 -0.94 -0.95 117.51 122.25 1si9 h ILE 26 Ca 0.34 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1si9 h ILE 26 Cb -0.13 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1si9 h ILE 26 CO -0.08 0.27 0.14 0.44 0.00 0.00 0.00 178.15 178.92 1si9 h ASP 27 N -0.12 0.12 -0.37 1.72 3.32 -0.97 0.26 116.42 120.39 1si9 h ASP 27 Ca 0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1si9 h ASP 27 Cb 0.43 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1si9 h ASP 27 CO 0.01 0.10 0.24 0.78 -1.72 0.00 0.00 179.24 178.65 1si9 h ASN 28 N 0.30 0.42 -0.10 6.45 2.35 -1.03 -1.90 115.58 122.08 1si9 h ASN 28 Ca 0.23 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 1si9 h ASN 28 Cb 0.25 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1si9 h ASN 28 CO -0.25 0.31 -0.30 1.88 -1.65 0.00 0.00 177.43 177.42 1si9 h TYR 29 N 0.50 0.65 -0.42 1.19 -1.99 -0.57 -1.12 116.97 115.21 1si9 h TYR 29 Ca 0.13 -0.16 -0.09 0.00 2.00 0.00 0.00 58.73 60.62 1si9 h TYR 29 Cb -0.05 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.50 1si9 h TYR 29 CO -0.05 0.81 -0.08 0.82 -0.00 0.00 0.00 178.16 179.65 1si9 h ILE 30 N 0.49 1.25 -0.56 -2.88 2.04 -0.84 0.85 117.51 117.86 1si9 h ILE 30 Ca 0.06 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1si9 h ILE 30 Cb 0.76 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1si9 h ILE 30 CO 0.06 0.38 0.29 0.78 0.00 0.00 0.00 178.15 179.66 1si9 h ASN 31 N 0.68 0.71 -0.34 1.72 -0.26 -0.88 -1.07 115.58 116.12 1si9 h ASN 31 Ca 0.12 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1si9 h ASN 31 Cb 0.54 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1si9 h ASN 31 CO 0.03 0.61 0.09 0.44 -1.06 0.00 0.00 177.43 177.54 1si9 h ASP 32 N 0.75 0.59 -0.36 5.81 3.45 -0.61 -1.63 116.42 124.41 1si9 h ASP 32 Ca 0.19 -0.09 -0.09 0.00 0.43 0.00 0.00 57.03 57.47 1si9 h ASP 32 Cb 0.07 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1si9 h ASP 32 CO -0.03 0.60 -0.12 0.22 -1.57 0.00 0.00 179.24 178.33 1si9 h TYR 33 N 0.62 0.82 -0.35 4.55 -0.00 -0.53 -2.93 116.97 119.15 1si9 h TYR 33 Ca 0.14 -0.19 -0.07 0.00 -0.00 0.00 0.00 58.73 58.62 1si9 h TYR 33 Cb 0.26 -0.20 -0.02 0.00 -0.00 0.00 0.00 36.73 36.77 1si9 h TYR 33 CO 0.01 0.89 -0.06 1.15 -0.00 0.00 0.00 178.16 180.15 1si9 h THR 34 N 0.51 1.22 -0.04 1.81 2.02 -0.90 -2.52 112.91 115.02 1si9 h THR 34 Ca 0.09 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.33 1si9 h THR 34 Cb 0.65 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1si9 h THR 34 CO 0.04 0.32 0.05 -1.13 0.37 0.00 0.00 175.52 175.17 1si9 h ASN 35 N 0.54 0.00 -0.49 4.18 -1.24 -1.11 -1.84 115.58 115.62 1si9 h ASN 35 Ca 0.11 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.15 1si9 h ASN 35 Cb 0.44 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 1si9 h ASN 35 CO 0.02 0.00 0.33 -0.07 -1.29 0.00 0.00 177.43 176.42 1si9 h LEU 36 N 0.00 0.47 -0.84 0.34 4.07 -1.43 -1.90 115.31 116.02 1si9 h LEU 36 Ca 0.02 -0.01 0.20 0.00 0.08 0.00 0.00 57.88 58.17 1si9 h LEU 36 Cb 0.12 -0.11 -0.12 0.00 1.08 0.00 0.00 40.66 41.63 1si9 h LEU 36 CO -0.00 0.32 0.31 0.25 -1.08 0.00 0.00 178.44 178.24 1si9 h LEU 37 N 0.54 0.20 -0.21 1.67 6.46 -1.50 0.99 115.31 123.45 1si9 h LEU 37 Ca 0.20 0.15 -0.22 0.00 -0.12 0.00 0.00 57.88 57.89 1si9 h LEU 37 Cb 0.12 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1si9 h LEU 37 CO -0.05 -0.02 -0.79 -0.78 -0.62 0.00 0.00 178.44 176.18 1si9 h ASP 38 N 0.35 0.81 1.81 1.25 -0.00 -1.53 -3.31 116.42 115.79 1si9 h ASP 38 Ca 0.51 -0.54 -0.02 0.00 -0.00 0.00 0.00 57.03 56.97 1si9 h ASP 38 Cb 0.93 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 40.01 1si9 h ASP 38 CO -0.53 1.33 -0.09 -0.07 -0.00 0.00 0.00 179.24 179.88 1si9 h LEU 39 N 0.45 0.00 -7.96 2.28 3.38 -1.00 -3.42 115.31 109.05 1si9 h LEU 39 Ca -0.05 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.23 1si9 h LEU 39 Cb 1.41 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.82 1si9 h LEU 39 CO 0.15 0.09 -0.65 -0.63 0.09 0.00 0.00 178.44 177.50 1si9 s ILE 40 N -3.21 3.09 0.39 1.22 -1.09 0.22 -5.00 121.20 116.82 1si9 s ILE 40 Ca 0.06 -1.65 0.22 0.00 -2.23 0.00 0.00 60.65 57.05 1si9 s ILE 40 Cb 0.06 -2.92 0.23 0.00 -1.58 0.00 0.00 42.46 38.26 1si9 s ILE 40 CO 0.67 -0.33 2.00 1.55 -1.23 0.00 0.00 174.94 177.60 1si9 h PRO 41 N 8.00 0.00 0.00 2.79 0.13 -1.83 -2.21 132.00 138.88 1si9 h PRO 41 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1si9 h PRO 41 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1si9 h PRO 41 CO 0.59 0.18 0.00 0.66 -0.23 0.00 0.00 178.00 179.20 1si9 h SER 42 N 0.00 0.00 -3.48 1.44 4.64 -1.93 -3.44 113.55 110.77 1si9 h SER 42 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1si9 h SER 42 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1si9 h SER 42 CO 0.02 0.00 0.35 -0.32 -0.87 0.00 0.00 176.83 176.01 1si9 s MET 43 N -3.25 4.62 -0.10 4.77 0.00 -0.83 -4.46 119.30 120.05 1si9 s MET 43 Ca 0.07 1.41 0.12 0.00 0.00 0.00 0.00 55.69 57.29 1si9 s MET 43 Cb 0.10 -3.42 -0.17 0.00 0.00 0.00 0.00 34.83 31.34 1si9 s MET 43 CO 0.53 0.08 0.12 1.63 0.00 0.00 0.00 175.02 177.38 1si9 n LYS 44 N 3.36 1.51 -3.58 4.11 4.76 -0.43 -5.00 118.16 122.88 1si9 n LYS 44 Ca 0.04 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1si9 n LYS 44 Cb 0.50 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.34 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 -4.28 -0.39 -0.08 4.39 1.04 -1.24 -5.00 113.70 108.14 1si9 s SER 45 Ca -0.06 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 1si9 s SER 45 Cb 0.05 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.79 1si9 s SER 45 CO 0.53 -0.99 0.17 0.12 0.98 0.00 0.00 173.24 174.05 1si9 s PHE 46 N -3.80 -0.20 0.04 5.02 2.19 -1.26 -1.88 117.98 118.09 1si9 s PHE 46 Ca 0.04 0.59 0.01 0.00 0.33 0.00 0.00 56.93 57.90 1si9 s PHE 46 Cb -0.01 -0.14 -0.03 0.00 -1.31 0.00 0.00 43.02 41.54 1si9 s PHE 46 CO -0.09 -0.23 -0.05 -0.80 1.83 0.00 0.00 175.22 175.88 1si9 s ASN 47 N 1.71 0.59 0.25 6.13 0.01 -0.49 -5.00 114.94 118.13 1si9 s ASN 47 Ca -0.04 -0.64 -0.10 0.00 -0.71 0.00 0.00 52.86 51.38 1si9 s ASN 47 Cb -0.12 0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.62 1si9 s ASN 47 CO -0.06 -0.32 0.41 -1.66 -1.51 0.00 0.00 177.10 173.95 1si9 s TRP 48 N -1.99 0.58 0.05 2.20 1.48 -1.26 0.08 118.94 120.09 1si9 s TRP 48 Ca -0.08 -0.91 -0.26 0.00 -1.06 0.00 0.00 56.10 53.79 1si9 s TRP 48 Cb -0.06 0.01 0.09 0.00 -1.16 0.00 0.00 33.47 32.35 1si9 s TRP 48 CO -0.02 -0.93 1.20 0.20 -4.06 0.00 0.00 176.95 173.34 1si9 s GLY 49 N -3.07 -0.05 0.23 3.67 0.00 -0.58 -5.00 107.32 102.53 1si9 s GLY 49 Ca 0.27 -0.07 0.12 0.00 0.00 0.00 0.00 44.72 45.03 1si9 s GLY 49 CO 0.11 4.36 -0.22 -0.51 0.00 0.00 0.00 173.10 176.83 1si9 s THR 50 N -2.08 2.38 0.02 0.90 -4.23 -1.26 -1.16 115.64 110.21 1si9 s THR 50 Ca 0.26 -2.20 -0.36 0.00 -1.18 0.00 0.00 61.69 58.22 1si9 s THR 50 Cb -0.01 -2.19 -0.15 0.00 1.34 0.00 0.00 72.50 71.49 1si9 s THR 50 CO 0.01 -0.26 1.60 -0.67 -0.54 0.00 0.00 174.62 174.76 1si9 n ASP 51 N -0.14 2.64 -0.00 3.99 4.64 -0.19 -4.86 116.55 122.63 1si9 n ASP 51 Ca -0.09 1.07 0.13 0.00 -1.38 0.00 0.00 54.79 54.52 1si9 n ASP 51 Cb 0.58 -1.30 0.48 0.00 -1.04 0.00 0.00 41.12 39.83 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 4.13 0.21 -1.06 -2.67 4.77 -1.26 -4.94 117.00 116.18 1si9 n LEU 52 Ca 0.20 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1si9 n LEU 52 Cb 0.24 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1si9 n LEU 52 CO 0.68 0.05 -0.11 0.61 -1.33 0.00 0.00 177.39 177.29 1si9 n GLY 53 N 1.49 0.01 0.18 -0.72 0.00 -1.26 -4.92 105.19 99.98 1si9 n GLY 53 Ca 0.07 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.89 1.21 -4.00 1.61 2.81 -1.26 -4.99 117.12 110.62 1si9 n MET 54 Ca -0.10 -0.38 -0.22 0.00 -1.81 0.00 0.00 57.70 55.19 1si9 n MET 54 Cb 0.58 -1.36 -0.04 0.00 -0.71 0.00 0.00 33.22 31.69 1si9 n MET 54 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1si9 s GLU 55 N -2.48 2.87 0.22 0.03 0.41 -1.26 -5.07 118.70 113.42 1si9 s GLU 55 Ca 0.11 -1.13 -0.31 0.00 -0.41 0.00 0.00 54.97 53.23 1si9 s GLU 55 Cb 0.14 -2.55 -0.15 0.00 -1.78 0.00 0.00 34.13 29.80 1si9 s GLU 55 CO 0.63 0.29 1.06 0.45 -0.49 0.00 0.00 175.26 177.20 1si9 n SER 56 N -1.26 1.14 0.26 -0.19 2.88 -1.26 -4.82 113.62 110.37 1si9 n SER 56 Ca -0.06 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.72 1si9 n SER 56 Cb 0.58 -1.23 0.64 0.00 -0.75 0.00 0.00 64.21 63.46 1si9 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1si9 h ALA 57 N 2.66 1.86 0.00 -1.46 0.00 -1.98 -2.20 119.26 118.14 1si9 h ALA 57 Ca -0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1si9 h ALA 57 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1si9 h ALA 57 CO 0.65 0.06 0.00 1.05 0.00 0.00 0.00 179.25 181.01 1si9 h GLU 58 N 0.00 0.00 0.00 0.00 9.09 -2.04 -3.37 114.58 118.26 1si9 h GLU 58 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 1si9 h GLU 58 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 1si9 h GLU 58 CO 0.01 0.00 -0.39 -0.07 0.05 0.00 0.00 179.01 178.61 1si9 h LEU 59 N 0.00 0.00 -0.05 3.06 4.07 -1.75 -1.76 115.31 118.88 1si9 h LEU 59 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1si9 h LEU 59 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1si9 h LEU 59 CO 0.00 0.39 0.00 -0.46 -1.08 0.00 0.00 178.44 177.29 1si9 n ASN 60 N -3.81 0.32 -3.95 -0.43 6.94 -1.26 -4.92 115.26 108.14 1si9 n ASN 60 Ca -0.01 0.54 -0.30 0.00 -0.02 0.00 0.00 54.58 54.78 1si9 n ASN 60 Cb 0.46 -0.62 0.02 0.00 -2.36 0.00 0.00 39.78 37.27 1si9 n ASN 60 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1si9 n ARG 61 N -1.81 -5.01 0.00 -3.83 5.12 -0.66 -1.79 116.66 108.68 1si9 n ARG 61 Ca 0.06 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.53 1si9 n ARG 61 Cb 0.34 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.28 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 2.20 3.73 -0.13 0.00 -1.26 -5.03 105.19 103.05 1si9 n GLY 62 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.31 3.82 -0.11 1.61 1.51 -0.74 -4.57 117.35 116.56 1si9 s TYR 63 Ca 0.00 1.79 0.10 0.00 -1.01 0.00 0.00 57.07 57.95 1si9 s TYR 63 Cb 0.00 -3.04 -0.14 0.00 -0.11 0.00 0.00 41.96 38.68 1si9 s TYR 63 CO 0.00 0.23 0.04 0.25 -1.11 0.00 0.00 175.55 174.96 1si9 n THR 64 N 2.71 0.76 -4.80 -0.71 -2.24 -0.28 -4.82 114.28 104.90 1si9 n THR 64 Ca 0.02 -0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 61.05 1si9 n THR 64 Cb 0.49 -0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.27 2.12 -0.04 4.78 3.76 -1.05 -1.03 115.29 121.57 1si9 s HIS 65 Ca -0.05 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.51 1si9 s HIS 65 Cb 0.03 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 1si9 s HIS 65 CO 0.45 0.11 -0.18 0.00 -0.85 0.00 0.00 174.74 174.27 1si9 s ALA 66 N -0.80 1.60 -0.09 -1.40 0.00 -0.30 -1.60 121.76 119.16 1si9 s ALA 66 Ca 0.10 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1si9 s ALA 66 Cb -0.10 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1si9 s ALA 66 CO 0.02 0.32 -0.12 -0.06 0.00 0.00 0.00 175.76 175.92 1si9 s PHE 67 N -0.11 1.61 -0.23 0.00 0.40 0.23 -1.52 117.98 118.35 1si9 s PHE 67 Ca -0.01 -0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1si9 s PHE 67 Cb -0.11 -1.22 0.02 0.00 0.51 0.00 0.00 43.02 42.23 1si9 s PHE 67 CO 0.02 -0.41 -0.09 -1.21 0.70 0.00 0.00 175.22 174.23 1si9 s GLU 68 N 1.08 2.89 -0.13 0.44 2.02 0.11 -1.40 118.70 123.71 1si9 s GLU 68 Ca -0.06 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 53.98 1si9 s GLU 68 Cb -0.14 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 1si9 s GLU 68 CO -0.02 -0.35 -0.09 -1.12 0.02 0.00 0.00 175.26 173.70 1si9 s SER 69 N 1.32 4.33 -0.06 -0.19 0.01 -0.39 -1.40 113.70 117.32 1si9 s SER 69 Ca 0.01 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1si9 s SER 69 Cb -0.16 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 1si9 s SER 69 CO -0.06 0.18 -0.04 -0.89 0.41 0.00 0.00 173.24 172.84 1si9 s THR 70 N 0.26 3.89 0.30 1.44 2.01 -0.79 -0.75 115.64 122.01 1si9 s THR 70 Ca -0.07 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1si9 s THR 70 Cb -0.15 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 1si9 s THR 70 CO 0.04 0.57 0.11 -0.36 -0.69 0.00 0.00 174.62 174.29 1si9 s PHE 71 N -0.87 1.67 -1.95 4.92 0.40 0.54 -1.31 117.98 121.39 1si9 s PHE 71 Ca 0.14 -1.19 0.19 0.00 -0.60 0.00 0.00 56.93 55.46 1si9 s PHE 71 Cb -0.11 -1.00 0.06 0.00 0.51 0.00 0.00 43.02 42.47 1si9 s PHE 71 CO 0.03 -0.30 1.00 0.39 0.70 0.00 0.00 175.22 177.03 1si9 n GLU 72 N -0.59 1.59 -3.63 0.44 1.02 -1.26 -0.32 120.64 117.89 1si9 n GLU 72 Ca -0.01 -1.18 -0.01 0.00 -0.02 0.00 0.00 57.16 55.94 1si9 n GLU 72 Cb 0.66 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.89 -0.11 0.21 1.62 1.04 -1.26 -4.48 113.70 108.82 1si9 s SER 73 Ca 0.18 -0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.39 1si9 s SER 73 Cb 0.15 0.22 0.14 0.00 0.10 0.00 0.00 66.02 66.63 1si9 s SER 73 CO 0.37 -0.39 1.78 0.11 0.98 0.00 0.00 173.24 176.10 1si9 h LYS 74 N 2.00 1.11 -0.24 4.02 1.57 -1.96 -2.50 116.57 120.58 1si9 h LYS 74 Ca -0.24 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.30 1si9 h LYS 74 Cb 1.20 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1si9 h LYS 74 CO 0.27 0.88 -0.14 0.66 -0.57 0.00 0.00 179.45 180.55 1si9 h SER 75 N 1.08 0.39 -0.40 0.86 4.64 -1.99 0.08 113.55 118.21 1si9 h SER 75 Ca 0.26 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1si9 h SER 75 Cb 0.16 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1si9 h SER 75 CO -0.03 0.56 -0.07 1.23 -0.87 0.00 0.00 176.83 177.65 1si9 h GLY 76 N 0.89 0.81 0.96 -0.77 0.00 -1.88 -1.78 103.07 101.29 1si9 h GLY 76 Ca 0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 1si9 h GLY 76 CO 0.03 0.59 0.08 -2.00 0.00 0.00 0.00 176.54 175.24 1si9 h LEU 77 N 0.56 0.70 -0.99 3.11 5.85 -1.10 -2.63 115.31 120.82 1si9 h LEU 77 Ca 0.10 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1si9 h LEU 77 Cb 0.57 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1si9 h LEU 77 CO 0.03 0.78 0.64 -0.61 -0.34 0.00 0.00 178.44 178.94 1si9 h GLN 78 N 0.60 1.16 -0.57 1.25 5.75 -0.88 0.16 115.11 122.58 1si9 h GLN 78 Ca 0.14 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1si9 h GLN 78 Cb 0.37 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1si9 h GLN 78 CO 0.01 0.77 0.37 0.93 -2.65 0.00 0.00 178.83 178.26 1si9 h GLU 79 N 1.19 0.74 -0.38 1.69 5.08 -1.14 -0.57 114.58 121.19 1si9 h GLU 79 Ca 0.42 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1si9 h GLU 79 Cb 0.10 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1si9 h GLU 79 CO -0.16 0.49 0.19 -0.92 -1.00 0.00 0.00 179.01 177.61 1si9 h TYR 80 N 0.76 0.35 0.00 4.33 3.20 -0.94 -1.31 116.97 123.36 1si9 h TYR 80 Ca 0.21 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 1si9 h TYR 80 Cb -0.08 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1si9 h TYR 80 CO -0.04 0.18 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.33 1si9 h LEU 81 N 0.38 0.00 -1.22 2.82 3.38 -0.44 -2.39 115.31 117.85 1si9 h LEU 81 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1si9 h LEU 81 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1si9 h LEU 81 CO -0.12 0.26 -0.16 0.47 0.09 0.00 0.00 178.44 178.98 1si9 n ASP 82 N -3.91 2.05 -4.77 -0.43 10.43 -0.27 -4.91 116.55 114.74 1si9 n ASP 82 Ca -0.02 -1.57 -0.36 0.00 2.57 0.00 0.00 54.79 55.42 1si9 n ASP 82 Cb 0.34 0.14 -0.01 0.00 1.84 0.00 0.00 41.12 43.44 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 -2.20 5.94 0.26 -2.24 1.04 -0.52 -4.95 113.70 111.02 1si9 s SER 83 Ca 0.28 2.20 0.06 0.00 0.48 0.00 0.00 55.95 58.96 1si9 s SER 83 Cb 0.20 -2.59 0.31 0.00 0.10 0.00 0.00 66.02 64.04 1si9 s SER 83 CO 0.41 -1.07 1.60 0.00 0.98 0.00 0.00 173.24 175.16 1si9 h ALA 84 N 1.54 0.93 -0.37 5.32 0.00 -1.90 -2.84 119.26 121.94 1si9 h ALA 84 Ca -0.50 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 1si9 h ALA 84 Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1si9 h ALA 84 CO 0.58 0.70 0.21 0.00 0.00 0.00 0.00 179.25 180.75 1si9 h ALA 85 N 1.26 0.47 -0.68 0.00 0.00 -1.93 -0.55 119.26 117.84 1si9 h ALA 85 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1si9 h ALA 85 Cb 1.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1si9 h ALA 85 CO 0.09 -0.02 0.15 1.25 0.00 0.00 0.00 179.25 180.72 1si9 h LEU 86 N 0.48 1.05 -0.65 0.00 5.85 -1.82 -1.98 115.31 118.24 1si9 h LEU 86 Ca 0.13 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1si9 h LEU 86 Cb 0.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1si9 h LEU 86 CO -0.02 1.02 0.37 0.00 -0.34 0.00 0.00 178.44 179.46 1si9 h ALA 87 N 1.07 0.83 -0.47 1.25 0.00 -1.21 0.11 119.26 120.83 1si9 h ALA 87 Ca 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1si9 h ALA 87 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1si9 h ALA 87 CO 0.01 0.34 0.07 0.00 0.00 0.00 0.00 179.25 179.67 1si9 h ALA 88 N 1.18 0.62 -0.41 0.00 0.00 -0.94 -2.08 119.26 117.63 1si9 h ALA 88 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1si9 h ALA 88 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1si9 h ALA 88 CO -0.04 0.35 0.24 0.35 0.00 0.00 0.00 179.25 180.15 1si9 h PHE 89 N 0.65 0.55 -0.25 0.00 3.04 -1.03 -3.17 116.94 116.74 1si9 h PHE 89 Ca 0.14 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.01 1si9 h PHE 89 Cb 0.39 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1si9 h PHE 89 CO 0.03 0.41 -0.18 0.00 -2.02 0.00 0.00 178.31 176.55 1si9 h ALA 90 N 1.09 1.24 -0.76 2.41 0.00 -0.51 -1.24 119.26 121.49 1si9 h ALA 90 Ca 0.15 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1si9 h ALA 90 Cb 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1si9 h ALA 90 CO -0.03 0.50 0.50 1.49 0.00 0.00 0.00 179.25 181.71 1si9 h GLU 91 N 0.40 0.75 0.04 0.00 4.81 -1.35 -1.03 114.58 118.19 1si9 h GLU 91 Ca 0.07 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 58.93 1si9 h GLU 91 Cb 0.54 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1si9 h GLU 91 CO 0.04 0.49 -1.90 0.41 -0.73 0.00 0.00 179.01 177.32 1si9 n GLY 92 N -1.44 -0.82 0.11 1.92 0.00 -1.09 -4.60 105.19 99.26 1si9 n GLY 92 Ca 0.12 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1si9 n GLY 92 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1si9 h PHE 93 N 0.02 0.39 -0.74 1.61 3.04 -0.85 -3.37 116.94 117.05 1si9 h PHE 93 Ca -0.37 -0.26 -0.01 0.00 3.98 0.00 0.00 57.97 61.31 1si9 h PHE 93 Cb 2.04 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 40.48 1si9 h PHE 93 CO 0.03 1.16 0.44 -0.07 -2.02 0.00 0.00 178.31 177.85 1si9 h LEU 94 N -0.48 0.89 -1.53 0.59 4.07 -1.44 -1.99 115.31 115.43 1si9 h LEU 94 Ca -0.08 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1si9 h LEU 94 Cb 1.35 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1si9 h LEU 94 CO 0.10 0.70 0.07 -0.65 -1.08 0.00 0.00 178.44 177.57 1si9 h PRO 95 N 1.01 0.00 0.00 1.13 0.11 -1.78 -1.90 132.00 130.57 1si9 h PRO 95 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1si9 h PRO 95 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1si9 h PRO 95 CO -0.05 0.00 -0.32 0.25 -0.21 0.00 0.00 178.00 177.67 1si9 n THR 96 N -2.33 0.24 -3.21 -1.15 -2.24 -0.75 -4.92 114.28 99.92 1si9 n THR 96 Ca -0.02 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.23 1si9 n THR 96 Cb 0.10 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.06 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 -3.71 4.50 -0.08 3.22 1.43 -0.71 -0.21 118.68 123.11 1si9 s LEU 97 Ca 0.10 1.28 0.19 0.00 -1.03 0.00 0.00 54.13 54.68 1si9 s LEU 97 Cb 0.15 -2.96 -0.26 0.00 0.03 0.00 0.00 46.19 43.16 1si9 s LEU 97 CO 0.65 0.21 0.38 -1.54 0.23 0.00 0.00 176.35 176.27 1si9 n SER 98 N 2.05 0.18 -4.00 2.29 3.41 0.89 -4.63 113.62 113.80 1si9 n SER 98 Ca -0.08 0.08 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1si9 n SER 98 Cb 0.51 1.20 -0.15 0.00 -0.26 0.00 0.00 64.21 65.51 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 -2.97 0.62 -0.07 4.33 -0.21 -1.00 -4.94 119.66 115.42 1si9 s GLN 99 Ca -0.08 -0.29 -0.03 0.00 0.02 0.00 0.00 55.36 54.98 1si9 s GLN 99 Cb 0.10 -0.60 0.04 0.00 1.00 0.00 0.00 33.01 33.55 1si9 s GLN 99 CO 0.86 0.16 0.14 0.50 -2.12 0.00 0.00 175.29 174.83 1si9 s ARG 100 N -0.22 0.02 -0.09 2.91 3.52 -1.26 -2.08 118.95 121.74 1si9 s ARG 100 Ca 0.03 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 56.14 1si9 s ARG 100 Cb -0.03 -0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.07 1si9 s ARG 100 CO -0.00 -0.30 -0.10 -1.17 -0.81 0.00 0.00 175.30 172.92 1si9 s LEU 101 N 2.17 1.40 -0.08 -0.88 2.96 -0.41 -5.00 118.68 118.85 1si9 s LEU 101 Ca 0.02 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1si9 s LEU 101 Cb -0.12 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.73 1si9 s LEU 101 CO -0.05 -0.05 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.06 1si9 s VAL 102 N 1.26 1.54 -0.02 1.68 1.01 -1.26 -0.52 120.40 124.09 1si9 s VAL 102 Ca -0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1si9 s VAL 102 Cb -0.14 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1si9 s VAL 102 CO -0.03 0.45 0.05 -0.51 0.00 0.00 0.00 175.10 175.05 1si9 s ILE 103 N 0.45 -0.02 0.02 2.22 2.07 -0.61 -5.02 121.20 120.30 1si9 s ILE 103 Ca -0.15 0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.24 1si9 s ILE 103 Cb -0.16 -0.08 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 1si9 s ILE 103 CO 0.06 0.03 -0.20 -1.81 -1.91 0.00 0.00 174.94 171.10 1si9 s ASP 104 N 0.42 3.61 -0.01 4.50 1.01 -1.26 -1.56 116.67 123.38 1si9 s ASP 104 Ca -0.03 -0.44 -0.29 0.00 0.71 0.00 0.00 52.55 52.50 1si9 s ASP 104 Cb -0.05 -0.54 0.08 0.00 1.01 0.00 0.00 42.92 43.42 1si9 s ASP 104 CO -0.01 0.27 0.69 -0.72 0.21 0.00 0.00 175.17 175.61 1si9 s TYR 105 N -0.84 -0.60 0.55 4.23 -0.85 -0.72 -4.99 117.35 114.13 1si9 s TYR 105 Ca 0.13 0.86 -0.19 0.00 -0.52 0.00 0.00 57.07 57.36 1si9 s TYR 105 Cb -0.10 0.45 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 1si9 s TYR 105 CO 0.03 -0.65 1.11 -0.06 -1.52 0.00 0.00 175.55 174.46 1si9 s PHE 106 N -1.88 2.74 -1.15 -3.49 0.40 -1.26 -0.29 117.98 113.05 1si9 s PHE 106 Ca -0.07 1.55 -0.13 0.00 -0.60 0.00 0.00 56.93 57.68 1si9 s PHE 106 Cb -0.00 -3.22 0.19 0.00 0.51 0.00 0.00 43.02 40.50 1si9 s PHE 106 CO 0.03 -1.42 1.33 -0.51 0.70 0.00 0.00 175.22 175.35 1si9 s LEU 107 N -3.90 5.34 0.00 -0.37 1.43 -0.37 -4.87 118.68 115.94 1si9 s LEU 107 Ca 0.71 -3.01 0.24 0.00 -1.03 0.00 0.00 54.13 51.04 1si9 s LEU 107 Cb -0.22 -2.36 1.45 0.00 0.03 0.00 0.00 46.19 45.09 1si9 s LEU 107 CO 0.28 -0.69 1.81 -1.22 0.23 0.00 0.00 176.35 176.76