#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn8 n ASN 40 N 0.00 1.23 -3.73 0.00 5.15 -1.26 -5.06 115.26 111.59 1sn8 n ASN 40 Ca 0.00 -2.98 -0.13 0.00 -0.60 0.00 0.00 54.58 50.87 1sn8 n ASN 40 Cb 0.00 -0.63 -0.10 0.00 -0.53 0.00 0.00 39.78 38.52 1sn8 n ASN 40 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1sn8 s ILE 41 N -2.05 -0.00 0.04 -1.44 2.07 -1.26 -4.54 121.20 114.02 1sn8 s ILE 41 Ca 0.39 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.55 1sn8 s ILE 41 Cb 0.24 -0.60 -0.00 0.00 0.13 0.00 0.00 42.46 42.23 1sn8 s ILE 41 CO -0.09 0.00 0.16 -0.31 -1.91 0.00 0.00 174.94 172.79 1sn8 s TYR 42 N 0.28 0.11 -0.38 3.50 1.51 -0.16 -5.00 117.35 117.21 1sn8 s TYR 42 Ca -0.00 -0.36 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 1sn8 s TYR 42 Cb -0.03 -0.07 0.01 0.00 -0.11 0.00 0.00 41.96 41.75 1sn8 s TYR 42 CO -0.00 -0.41 0.61 0.15 -1.11 0.00 0.00 175.55 174.79 1sn8 s LYS 43 N -2.59 3.56 -0.16 -0.62 1.02 -1.26 -1.27 119.74 118.42 1sn8 s LYS 43 Ca -0.05 -0.11 -0.09 0.00 0.02 0.00 0.00 55.97 55.74 1sn8 s LYS 43 Cb -0.01 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.41 1sn8 s LYS 43 CO -0.04 -0.78 0.15 0.20 -0.92 0.00 0.00 175.35 173.95 1sn8 s GLY 44 N 1.84 2.10 -0.20 -3.33 0.00 0.62 -4.61 107.32 103.74 1sn8 s GLY 44 Ca 0.23 -0.65 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 1sn8 s GLY 44 CO 0.15 -0.04 0.21 1.25 0.00 0.00 0.00 173.10 174.67 1sn8 s LYS 45 N -0.19 4.17 -0.05 2.90 2.20 -0.25 -0.71 119.74 127.81 1sn8 s LYS 45 Ca 0.11 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 1sn8 s LYS 45 Cb -0.12 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 1sn8 s LYS 45 CO 0.01 0.19 1.53 0.42 -0.36 0.00 0.00 175.35 177.13 1sn8 s ILE 46 N 0.67 3.68 -0.16 5.43 -1.09 0.20 -0.88 121.20 129.06 1sn8 s ILE 46 Ca 0.11 0.92 0.05 0.00 -2.23 0.00 0.00 60.65 59.50 1sn8 s ILE 46 Cb -0.13 -3.59 -0.13 0.00 -1.58 0.00 0.00 42.46 37.03 1sn8 s ILE 46 CO 0.02 -0.06 -0.08 0.35 -1.23 0.00 0.00 174.94 173.94 1sn8 n THR 47 N 5.19 0.95 -3.69 2.92 -2.24 -0.19 -0.58 114.28 116.64 1sn8 n THR 47 Ca 0.16 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1sn8 n THR 47 Cb 0.43 -0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 67.59 1sn8 n THR 47 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1sn8 s ARG 48 N -2.33 0.25 -0.16 -0.78 3.52 -1.22 -4.89 118.95 113.33 1sn8 s ARG 48 Ca -0.17 0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 56.07 1sn8 s ARG 48 Cb 0.05 -0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.40 1sn8 s ARG 48 CO 0.44 -0.21 0.15 0.42 -0.81 0.00 0.00 175.30 175.29 1sn8 s ILE 49 N 1.87 5.43 -0.49 4.11 1.01 -1.26 -0.34 121.20 131.54 1sn8 s ILE 49 Ca -0.05 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1sn8 s ILE 49 Cb -0.11 -3.46 0.13 0.00 0.01 0.00 0.00 42.46 39.03 1sn8 s ILE 49 CO -0.10 0.51 0.23 -1.61 0.00 0.00 0.00 174.94 173.98 1sn8 s GLU 50 N -0.24 1.80 0.34 2.79 0.41 -0.19 -4.99 118.70 118.61 1sn8 s GLU 50 Ca 0.12 -2.43 0.04 0.00 -0.41 0.00 0.00 54.97 52.29 1sn8 s GLU 50 Cb -0.12 -3.13 0.68 0.00 -1.78 0.00 0.00 34.13 29.78 1sn8 s GLU 50 CO 0.01 -1.10 1.94 -1.35 -0.49 0.00 0.00 175.26 174.27 1sn8 h PRO 51 N 6.67 0.82 0.00 0.39 0.11 -1.97 -1.86 132.00 136.15 1sn8 h PRO 51 Ca -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1sn8 h PRO 51 Cb 0.91 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1sn8 h PRO 51 CO 0.64 0.54 0.00 0.66 -0.21 0.00 0.00 178.00 179.63 1sn8 h SER 52 N 0.84 0.00 0.00 -2.05 4.64 -1.94 -2.23 113.55 112.81 1sn8 h SER 52 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1sn8 h SER 52 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1sn8 h SER 52 CO -0.12 0.00 -0.22 0.18 -0.87 0.00 0.00 176.83 175.80 1sn8 n LEU 53 N -2.64 2.28 -3.95 5.97 4.77 -0.83 -5.00 117.00 117.62 1sn8 n LEU 53 Ca 0.04 -0.79 -0.34 0.00 -0.03 0.00 0.00 56.01 54.89 1sn8 n LEU 53 Cb 0.39 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1sn8 n LEU 53 CO 0.29 0.40 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.93 1sn8 n GLU 54 N 0.50 -1.53 -3.62 3.23 1.02 -0.76 -4.86 120.64 114.61 1sn8 n GLU 54 Ca 0.12 0.29 -0.08 0.00 -0.02 0.00 0.00 57.16 57.47 1sn8 n GLU 54 Cb 0.50 -3.76 -0.02 0.00 -0.02 0.00 0.00 31.44 28.15 1sn8 n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sn8 s ALA 55 N -3.75 -1.55 0.04 0.62 0.00 -1.04 -1.17 121.76 114.92 1sn8 s ALA 55 Ca 0.28 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1sn8 s ALA 55 Cb -0.13 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1sn8 s ALA 55 CO 0.92 -0.88 -0.09 0.00 0.00 0.00 0.00 175.76 175.71 1sn8 s ALA 56 N -3.59 0.64 0.27 0.00 0.00 -0.33 -1.02 121.76 117.73 1sn8 s ALA 56 Ca 0.07 -0.78 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 1sn8 s ALA 56 Cb -0.02 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 1sn8 s ALA 56 CO -0.04 0.01 0.79 -0.06 0.00 0.00 0.00 175.76 176.46 1sn8 s PHE 57 N -1.33 3.61 -0.06 0.00 0.08 0.54 -0.27 117.98 120.54 1sn8 s PHE 57 Ca -0.09 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.44 1sn8 s PHE 57 Cb -0.10 -2.69 0.02 0.00 -0.57 0.00 0.00 43.02 39.68 1sn8 s PHE 57 CO 0.01 0.25 -0.04 0.08 -0.10 0.00 0.00 175.22 175.42 1sn8 s VAL 58 N -1.63 0.59 -0.56 -0.44 1.01 -0.12 -1.02 120.40 118.24 1sn8 s VAL 58 Ca 0.47 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 1sn8 s VAL 58 Cb -0.16 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.61 1sn8 s VAL 58 CO 0.21 0.26 1.02 -0.62 0.00 0.00 0.00 175.10 175.97 1sn8 s ASP 59 N 1.32 6.38 -0.17 3.32 -1.08 -0.06 -0.60 116.67 125.78 1sn8 s ASP 59 Ca -0.04 -0.20 0.16 0.00 -0.52 0.00 0.00 52.55 51.95 1sn8 s ASP 59 Cb -0.14 -2.47 0.66 0.00 -1.46 0.00 0.00 42.92 39.51 1sn8 s ASP 59 CO -0.02 -1.30 1.57 0.00 0.52 0.00 0.00 175.17 175.94 1sn8 n TYR 60 N 7.76 1.43 -0.00 -5.34 4.11 -1.26 -1.09 117.16 122.76 1sn8 n TYR 60 Ca 0.04 -0.73 0.00 0.00 -0.00 0.00 0.00 57.90 57.21 1sn8 n TYR 60 Cb 0.48 -0.34 0.00 0.00 -0.00 0.00 0.00 39.34 39.48 1sn8 n TYR 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1sn8 n GLY 61 N 0.35 0.11 3.92 -7.48 0.00 -1.26 -4.78 105.19 96.05 1sn8 n GLY 61 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1sn8 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sn8 s ALA 62 N -2.02 3.47 0.21 4.61 0.00 -1.26 -5.00 121.76 121.77 1sn8 s ALA 62 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 1sn8 s ALA 62 Cb 0.00 -2.47 0.22 0.00 0.00 0.00 0.00 23.12 20.87 1sn8 s ALA 62 CO 0.00 -0.36 1.84 1.49 0.00 0.00 0.00 175.76 178.73 1sn8 h GLU 63 N 0.28 0.80 -5.45 0.00 4.57 -2.01 -3.41 114.58 109.36 1sn8 h GLU 63 Ca -0.47 -0.05 -0.59 0.00 -1.18 0.00 0.00 59.36 57.07 1sn8 h GLU 63 Cb 1.22 -0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 29.52 1sn8 h GLU 63 CO 0.61 0.53 -0.35 0.50 -1.18 0.00 0.00 179.01 179.13 1sn8 s ARG 64 N -6.10 4.24 0.46 1.92 3.52 -1.26 -5.07 118.95 116.66 1sn8 s ARG 64 Ca -0.13 0.05 -0.24 0.00 -0.13 0.00 0.00 55.73 55.29 1sn8 s ARG 64 Cb 0.16 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 30.04 1sn8 s ARG 64 CO 0.77 0.23 1.24 -1.01 -0.81 0.00 0.00 175.30 175.71 1sn8 s HIS 65 N 0.51 2.77 0.86 5.12 3.76 -1.26 -4.79 115.29 122.26 1sn8 s HIS 65 Ca 0.15 1.48 -0.09 0.00 -0.15 0.00 0.00 55.06 56.45 1sn8 s HIS 65 Cb -0.13 -3.53 0.17 0.00 1.11 0.00 0.00 32.58 30.20 1sn8 s HIS 65 CO 0.03 -1.89 1.18 0.20 -0.85 0.00 0.00 174.74 173.42 1sn8 s GLY 66 N -1.10 1.77 -0.08 -2.22 0.00 0.23 -4.36 107.32 101.56 1sn8 s GLY 66 Ca 0.63 -1.45 0.02 0.00 0.00 0.00 0.00 44.72 43.91 1sn8 s GLY 66 CO 0.41 -0.76 -0.11 -0.12 0.00 0.00 0.00 173.10 172.52 1sn8 s PHE 67 N -3.57 1.47 -0.31 1.90 5.36 -0.51 -0.94 117.98 121.39 1sn8 s PHE 67 Ca 0.71 -0.60 0.03 0.00 -0.96 0.00 0.00 56.93 56.11 1sn8 s PHE 67 Cb -0.04 -1.11 0.09 0.00 -0.34 0.00 0.00 43.02 41.61 1sn8 s PHE 67 CO 0.49 -0.34 0.01 -1.17 -1.46 0.00 0.00 175.22 172.76 1sn8 s LEU 68 N 0.91 3.84 0.50 6.12 2.96 0.62 -1.18 118.68 132.46 1sn8 s LEU 68 Ca -0.10 -1.81 -0.21 0.00 -0.22 0.00 0.00 54.13 51.80 1sn8 s LEU 68 Cb -0.15 -1.43 -0.07 0.00 0.50 0.00 0.00 46.19 45.03 1sn8 s LEU 68 CO 0.01 -0.33 1.10 -2.84 -1.32 0.00 0.00 176.35 172.96 1sn8 s PRO 69 N 1.12 3.63 0.34 0.98 0.02 -1.26 -1.18 135.00 138.65 1sn8 s PRO 69 Ca 0.05 1.54 0.10 0.00 0.02 0.00 0.00 61.00 62.71 1sn8 s PRO 69 Cb -0.19 -2.14 0.84 0.00 0.02 0.00 0.00 34.50 33.04 1sn8 s PRO 69 CO -0.10 -0.61 1.82 1.25 -0.33 0.00 0.00 177.00 179.03 1sn8 h LEU 70 N 1.55 0.67 -0.97 -5.54 5.85 -1.48 0.51 115.31 115.91 1sn8 h LEU 70 Ca -0.50 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1sn8 h LEU 70 Cb 1.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1sn8 h LEU 70 CO 0.59 0.27 0.00 0.07 -0.34 0.00 0.00 178.44 179.02 1sn8 h LYS 71 N 0.67 0.00 -0.64 1.25 2.10 -1.92 -2.03 116.57 115.99 1sn8 h LYS 71 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 1sn8 h LYS 71 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1sn8 h LYS 71 CO -0.29 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.55 1sn8 n GLU 72 N -2.34 3.99 -3.78 0.07 -0.58 0.17 -4.86 120.64 113.31 1sn8 n GLU 72 Ca 0.01 -2.96 -0.36 0.00 -0.42 0.00 0.00 57.16 53.42 1sn8 n GLU 72 Cb 0.19 -1.98 -0.13 0.00 -0.57 0.00 0.00 31.44 28.96 1sn8 n GLU 72 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1sn8 s ILE 73 N -2.03 4.08 0.51 -3.67 1.01 -0.76 -1.52 121.20 118.81 1sn8 s ILE 73 Ca 0.52 -0.36 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 1sn8 s ILE 73 Cb 0.35 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 1sn8 s ILE 73 CO 0.23 0.28 1.15 0.00 0.00 0.00 0.00 174.94 176.61 1sn8 s ALA 74 N 1.57 2.79 0.41 9.38 0.00 -1.26 -4.92 121.76 129.73 1sn8 s ALA 74 Ca 0.05 0.89 0.40 0.00 0.00 0.00 0.00 51.96 53.30 1sn8 s ALA 74 Cb -0.15 -3.38 1.99 0.00 0.00 0.00 0.00 23.12 21.58 1sn8 s ALA 74 CO 0.02 -0.76 2.20 0.00 0.00 0.00 0.00 175.76 177.22 1sn8 h ARG 75 N 1.50 0.00 0.00 0.00 2.47 -1.98 -1.48 114.38 114.89 1sn8 h ARG 75 Ca -0.50 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1sn8 h ARG 75 Cb 1.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1sn8 h ARG 75 CO 0.58 0.00 -0.02 1.05 0.56 0.00 0.00 179.97 182.14 1sn8 h GLU 76 N 0.00 0.00 0.00 0.04 9.09 -2.01 -1.65 114.58 120.05 1sn8 h GLU 76 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1sn8 h GLU 76 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1sn8 h GLU 76 CO 0.00 0.02 -0.19 0.66 0.05 0.00 0.00 179.01 179.55 1sn8 n TYR 77 N -3.25 0.76 -2.54 2.06 4.01 -0.56 -4.87 117.16 112.77 1sn8 n TYR 77 Ca -0.02 0.22 -0.42 0.00 -0.16 0.00 0.00 57.90 57.52 1sn8 n TYR 77 Cb 0.15 -0.82 -0.03 0.00 -0.31 0.00 0.00 39.34 38.33 1sn8 n TYR 77 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1sn8 s PHE 78 N -3.11 3.38 -0.31 -0.72 0.40 -0.62 -4.80 117.98 112.19 1sn8 s PHE 78 Ca 0.10 1.39 0.27 0.00 -0.60 0.00 0.00 56.93 58.09 1sn8 s PHE 78 Cb 0.13 -3.32 1.06 0.00 0.51 0.00 0.00 43.02 41.40 1sn8 s PHE 78 CO 0.63 -0.86 1.80 -1.00 0.70 0.00 0.00 175.22 176.49 1sn8 h PRO 79 N 7.15 0.00 -3.78 0.24 0.13 -1.79 -3.44 132.00 130.51 1sn8 h PRO 79 Ca -0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 1sn8 h PRO 79 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1sn8 h PRO 79 CO 0.84 0.00 -0.46 0.00 -0.23 0.00 0.00 178.00 178.15 1sn8 s ALA 80 N -3.40 -0.14 -0.26 -0.56 0.00 -1.26 -5.13 121.76 111.01 1sn8 s ALA 80 Ca 0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 1sn8 s ALA 80 Cb 0.09 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1sn8 s ALA 80 CO 0.48 -0.39 1.06 -0.80 0.00 0.00 0.00 175.76 176.11 1sn8 s ASN 81 N -2.38 7.03 0.38 0.00 -0.87 -1.26 -5.04 114.94 112.80 1sn8 s ASN 81 Ca -0.01 1.26 0.04 0.00 -1.57 0.00 0.00 52.86 52.58 1sn8 s ASN 81 Cb 0.01 -2.54 0.06 0.00 -0.02 0.00 0.00 41.25 38.76 1sn8 s ASN 81 CO -0.07 -0.75 0.46 -1.22 -2.57 0.00 0.00 177.10 172.95 1sn8 n TYR 82 N 6.54 -2.76 -1.94 2.20 4.01 -1.26 -5.05 117.16 118.90 1sn8 n TYR 82 Ca 0.12 -1.09 -0.36 0.00 -0.16 0.00 0.00 57.90 56.41 1sn8 n TYR 82 Cb 0.46 -0.32 0.04 0.00 -0.31 0.00 0.00 39.34 39.21 1sn8 n TYR 82 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sn8 s SER 83 N -3.00 5.05 0.62 7.72 0.15 -1.26 -4.91 113.70 118.07 1sn8 s SER 83 Ca 0.34 2.43 0.32 0.00 0.70 0.00 0.00 55.95 59.74 1sn8 s SER 83 Cb -0.02 -2.60 1.83 0.00 -1.71 0.00 0.00 66.02 63.51 1sn8 s SER 83 CO 0.22 -1.69 2.13 0.00 1.20 0.00 0.00 173.24 175.09 1sn8 h ALA 84 N 0.78 1.54 -3.67 5.45 0.00 -2.06 -3.43 119.26 117.87 1sn8 h ALA 84 Ca -0.50 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.72 1sn8 h ALA 84 Cb 1.30 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.91 1sn8 h ALA 84 CO 0.55 -0.23 -0.70 -1.01 0.00 0.00 0.00 179.25 177.86 1sn8 s HIS 85 N -4.43 2.93 0.00 0.00 3.76 -1.26 -5.05 115.29 111.24 1sn8 s HIS 85 Ca -0.04 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 1sn8 s HIS 85 Cb 0.14 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1sn8 s HIS 85 CO 0.47 0.33 0.00 0.41 -0.85 0.00 0.00 174.74 175.10 1sn8 n GLY 86 N 2.16 -1.97 2.95 -2.22 0.00 -1.26 -4.95 105.19 99.91 1sn8 n GLY 86 Ca -0.18 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 1sn8 n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sn8 s ARG 87 N 0.00 0.18 0.85 1.61 0.52 -1.26 -4.96 118.95 115.89 1sn8 s ARG 87 Ca 0.00 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.85 1sn8 s ARG 87 Cb 0.00 0.07 0.10 0.00 0.52 0.00 0.00 34.95 35.64 1sn8 s ARG 87 CO 0.00 -0.03 1.09 -1.25 0.02 0.00 0.00 175.30 175.13 1sn8 s PRO 88 N -0.67 1.60 0.14 3.54 0.04 -1.26 -5.00 135.00 133.40 1sn8 s PRO 88 Ca -0.07 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 61.41 1sn8 s PRO 88 Cb -0.05 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 1sn8 s PRO 88 CO -0.00 -1.99 1.70 1.21 0.04 0.00 0.00 177.00 177.96 1sn8 s ASN 89 N -3.61 6.49 0.59 6.66 3.84 -1.26 -4.92 114.94 122.74 1sn8 s ASN 89 Ca 0.62 2.69 0.29 0.00 0.21 0.00 0.00 52.86 56.67 1sn8 s ASN 89 Cb -0.17 -2.58 1.60 0.00 -0.55 0.00 0.00 41.25 39.56 1sn8 s ASN 89 CO 0.56 -0.93 2.03 -0.29 -2.79 0.00 0.00 177.10 175.69 1sn8 h ILE 90 N 4.33 0.43 0.00 -5.21 2.10 -1.94 0.01 117.51 117.23 1sn8 h ILE 90 Ca -0.44 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.49 1sn8 h ILE 90 Cb 1.21 0.77 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1sn8 h ILE 90 CO 0.94 0.00 -0.05 0.11 -1.08 0.00 0.00 178.15 178.07 1sn8 h LYS 91 N 0.00 0.00 -0.19 2.19 1.57 -1.91 -0.86 116.57 117.36 1sn8 h LYS 91 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1sn8 h LYS 91 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1sn8 h LYS 91 CO -0.00 0.05 0.00 -0.25 -0.57 0.00 0.00 179.45 178.68 1sn8 n ASP 92 N -3.23 1.88 -0.07 0.86 8.00 -0.01 -4.39 116.55 119.59 1sn8 n ASP 92 Ca -0.01 -1.75 -0.14 0.00 0.71 0.00 0.00 54.79 53.60 1sn8 n ASP 92 Cb 0.26 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1sn8 n ASP 92 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1sn8 n VAL 93 N 0.46 0.77 -4.37 2.53 0.31 -0.49 -4.53 118.33 113.02 1sn8 n VAL 93 Ca 0.16 -0.18 -0.24 0.00 -0.01 0.00 0.00 64.34 64.08 1sn8 n VAL 93 Cb 0.36 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.51 1sn8 n VAL 93 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sn8 s LEU 94 N -6.77 2.92 0.09 7.52 1.43 -0.45 -4.49 118.68 118.92 1sn8 s LEU 94 Ca -0.19 -0.80 0.07 0.00 -1.03 0.00 0.00 54.13 52.17 1sn8 s LEU 94 Cb 0.07 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1sn8 s LEU 94 CO 0.24 0.03 -0.17 -0.13 0.23 0.00 0.00 176.35 176.55 1sn8 s ARG 95 N -3.52 0.96 0.34 1.70 0.52 -1.26 -4.61 118.95 113.08 1sn8 s ARG 95 Ca 0.30 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 1sn8 s ARG 95 Cb -0.06 -1.08 -0.11 0.00 0.52 0.00 0.00 34.95 34.22 1sn8 s ARG 95 CO 0.17 0.24 1.49 -2.00 0.02 0.00 0.00 175.30 175.23 1sn8 s GLU 96 N -1.85 4.15 0.00 3.54 2.12 -1.26 -1.80 118.70 123.60 1sn8 s GLU 96 Ca 0.02 2.52 0.00 0.00 0.36 0.00 0.00 54.97 57.87 1sn8 s GLU 96 Cb -0.10 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1sn8 s GLU 96 CO 0.03 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.65 1sn8 n GLY 97 N 1.07 3.17 3.74 -1.50 0.00 0.25 -4.97 105.19 106.95 1sn8 n GLY 97 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1sn8 n GLY 97 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sn8 n GLN 98 N -1.81 1.88 -4.05 1.61 7.27 -0.74 -4.63 117.38 116.90 1sn8 n GLN 98 Ca 0.00 0.68 -0.36 0.00 0.07 0.00 0.00 57.00 57.39 1sn8 n GLN 98 Cb 0.00 -2.54 -0.08 0.00 2.41 0.00 0.00 30.24 30.02 1sn8 n GLN 98 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1sn8 s GLU 99 N -2.63 3.51 0.16 3.69 2.02 -1.26 -0.63 118.70 123.57 1sn8 s GLU 99 Ca 0.67 -0.27 0.07 0.00 0.02 0.00 0.00 54.97 55.46 1sn8 s GLU 99 Cb -0.44 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1sn8 s GLU 99 CO 0.53 0.59 -0.16 0.14 0.02 0.00 0.00 175.26 176.38 1sn8 s VAL 100 N -0.51 1.62 -0.15 2.63 -7.23 0.11 -4.95 120.40 111.92 1sn8 s VAL 100 Ca 0.11 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 1sn8 s VAL 100 Cb -0.12 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1sn8 s VAL 100 CO 0.02 -0.42 0.55 -0.63 -0.31 0.00 0.00 175.10 174.31 1sn8 s ILE 101 N -2.32 5.11 0.11 -0.62 1.01 -1.26 -0.27 121.20 122.96 1sn8 s ILE 101 Ca 0.15 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.92 1sn8 s ILE 101 Cb -0.04 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1sn8 s ILE 101 CO 0.05 0.23 -0.12 0.68 0.00 0.00 0.00 174.94 175.78 1sn8 s VAL 102 N 1.20 1.15 0.20 2.92 -7.23 -0.40 -4.23 120.40 114.01 1sn8 s VAL 102 Ca 0.28 -1.71 0.10 0.00 -1.81 0.00 0.00 61.98 58.83 1sn8 s VAL 102 Cb -0.16 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 1sn8 s VAL 102 CO 0.11 -0.50 -0.19 0.00 -0.31 0.00 0.00 175.10 174.21 1sn8 s GLN 103 N -2.80 1.40 -0.18 4.82 -2.07 0.47 -0.99 119.66 120.31 1sn8 s GLN 103 Ca 0.08 -1.52 -0.29 0.00 -1.82 0.00 0.00 55.36 51.80 1sn8 s GLN 103 Cb -0.03 -1.48 -0.00 0.00 -1.09 0.00 0.00 33.01 30.40 1sn8 s GLN 103 CO 0.02 0.29 1.14 0.42 -1.32 0.00 0.00 175.29 175.84 1sn8 s ILE 104 N -2.20 4.50 -0.16 3.63 1.01 -1.26 -1.47 121.20 125.25 1sn8 s ILE 104 Ca 0.20 1.81 -0.24 0.00 0.00 0.00 0.00 60.65 62.42 1sn8 s ILE 104 Cb -0.05 -4.16 -0.24 0.00 0.01 0.00 0.00 42.46 38.02 1sn8 s ILE 104 CO 0.09 -0.14 0.53 -0.78 0.00 0.00 0.00 174.94 174.64 1sn8 h ASP 105 N 7.73 0.08 -3.31 3.58 3.58 -0.84 -3.46 116.42 123.78 1sn8 h ASP 105 Ca -0.24 -0.78 -0.55 0.00 0.42 0.00 0.00 57.03 55.88 1sn8 h ASP 105 Cb 1.09 -0.03 -0.35 0.00 1.72 0.00 0.00 39.33 41.77 1sn8 h ASP 105 CO 0.96 1.31 -0.82 -0.54 -2.88 0.00 0.00 179.24 177.26 1sn8 s LYS 106 N -2.32 1.89 0.57 0.28 1.02 -0.90 -4.97 119.74 115.31 1sn8 s LYS 106 Ca -0.23 -0.45 -0.21 0.00 0.02 0.00 0.00 55.97 55.11 1sn8 s LYS 106 Cb 0.02 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 1sn8 s LYS 106 CO 0.67 -0.06 1.27 -1.91 -0.92 0.00 0.00 175.35 174.39 1sn8 n GLU 107 N 4.19 1.44 -1.50 1.68 4.07 -1.26 -1.19 120.64 128.06 1sn8 n GLU 107 Ca -0.19 0.54 -0.55 0.00 -0.06 0.00 0.00 57.16 56.89 1sn8 n GLU 107 Cb 0.51 -2.48 -0.07 0.00 -0.06 0.00 0.00 31.44 29.35 1sn8 n GLU 107 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1sn8 n GLU 108 N -1.12 0.26 -3.67 5.31 2.13 -1.26 -4.66 120.64 117.63 1sn8 n GLU 108 Ca 0.12 0.09 -0.09 0.00 0.66 0.00 0.00 57.16 57.95 1sn8 n GLU 108 Cb 0.45 -1.54 -0.09 0.00 0.27 0.00 0.00 31.44 30.53 1sn8 n GLU 108 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1sn8 s ARG 109 N -0.12 0.41 7.87 5.31 3.52 -1.11 -4.96 118.95 129.87 1sn8 s ARG 109 Ca 0.84 0.98 0.00 0.00 -0.13 0.00 0.00 55.73 57.43 1sn8 s ARG 109 Cb -1.14 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 32.46 1sn8 s ARG 109 CO 0.55 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 175.25 1sn8 n GLY 110 N 4.83 3.66 0.28 8.12 0.00 -1.26 -1.57 105.19 119.25 1sn8 n GLY 110 Ca -0.16 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1sn8 n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sn8 n ASN 111 N 7.72 1.13 -4.76 1.61 3.02 -1.26 -4.96 115.26 117.77 1sn8 n ASN 111 Ca 0.00 -0.97 -0.40 0.00 -0.03 0.00 0.00 54.58 53.18 1sn8 n ASN 111 Cb 0.00 0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 1sn8 n ASN 111 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sn8 s LYS 112 N -2.48 4.61 0.91 3.52 1.02 -0.61 -5.07 119.74 121.65 1sn8 s LYS 112 Ca 0.24 1.22 -0.12 0.00 0.02 0.00 0.00 55.97 57.34 1sn8 s LYS 112 Cb 0.19 -3.30 0.14 0.00 -0.52 0.00 0.00 37.83 34.34 1sn8 s LYS 112 CO 0.51 0.46 1.09 0.20 -0.92 0.00 0.00 175.35 176.70 1sn8 s GLY 113 N -0.78 1.61 0.36 -3.33 0.00 -1.26 -2.75 107.32 101.16 1sn8 s GLY 113 Ca 0.38 -0.10 -0.28 0.00 0.00 0.00 0.00 44.72 44.72 1sn8 s GLY 113 CO 0.27 0.40 1.40 0.00 0.00 0.00 0.00 173.10 175.17 1sn8 s ALA 114 N -2.94 3.51 -0.14 3.20 0.00 -1.26 -4.50 121.76 119.63 1sn8 s ALA 114 Ca 0.64 1.42 -0.25 0.00 0.00 0.00 0.00 51.96 53.76 1sn8 s ALA 114 Cb -0.18 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1sn8 s ALA 114 CO 0.57 -0.87 0.80 0.00 0.00 0.00 0.00 175.76 176.26 1sn8 s ALA 115 N -1.14 3.46 0.22 0.00 0.00 -0.33 -1.42 121.76 122.55 1sn8 s ALA 115 Ca 0.52 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.61 1sn8 s ALA 115 Cb -0.43 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1sn8 s ALA 115 CO 0.58 -0.51 0.06 -0.51 0.00 0.00 0.00 175.76 175.38 1sn8 s LEU 116 N 1.79 3.45 0.02 0.00 1.43 -0.32 -0.12 118.68 124.92 1sn8 s LEU 116 Ca 0.38 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1sn8 s LEU 116 Cb -0.17 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1sn8 s LEU 116 CO 0.14 0.03 0.01 0.28 0.23 0.00 0.00 176.35 177.04 1sn8 s THR 117 N -2.00 0.11 -2.01 5.49 -1.32 -0.54 -4.49 115.64 110.88 1sn8 s THR 117 Ca 0.30 -0.89 0.27 0.00 -1.21 0.00 0.00 61.69 60.16 1sn8 s THR 117 Cb -0.08 -0.34 0.35 0.00 -1.51 0.00 0.00 72.50 70.92 1sn8 s THR 117 CO 0.21 -0.49 1.61 0.35 -2.21 0.00 0.00 174.62 174.09 1sn8 n THR 118 N 1.51 0.00 -2.63 5.08 -2.24 -0.58 -0.39 114.28 115.03 1sn8 n THR 118 Ca -0.23 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1sn8 n THR 118 Cb 0.55 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1sn8 n THR 118 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1sn8 s PHE 119 N -2.34 2.43 -0.19 4.78 0.08 -1.26 -4.80 117.98 116.69 1sn8 s PHE 119 Ca 0.29 -0.06 -0.17 0.00 0.12 0.00 0.00 56.93 57.11 1sn8 s PHE 119 Cb 0.20 -4.52 -0.04 0.00 -0.57 0.00 0.00 43.02 38.09 1sn8 s PHE 119 CO 0.46 -1.88 0.43 0.42 -0.10 0.00 0.00 175.22 174.54 1sn8 s ILE 120 N 5.21 5.18 -0.06 0.64 -1.09 -1.26 -4.86 121.20 124.96 1sn8 s ILE 120 Ca 0.34 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.24 1sn8 s ILE 120 Cb -0.10 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1sn8 s ILE 120 CO 0.16 0.25 1.66 -0.44 -1.23 0.00 0.00 174.94 175.34 1sn8 s SER 121 N 0.99 6.65 -0.06 3.58 0.01 -1.26 -5.02 113.70 118.59 1sn8 s SER 121 Ca 0.21 2.22 -0.01 0.00 1.31 0.00 0.00 55.95 59.67 1sn8 s SER 121 Cb -0.15 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1sn8 s SER 121 CO 0.08 -0.95 0.01 -0.76 0.41 0.00 0.00 173.24 172.04 1sn8 s LEU 122 N 4.11 0.58 0.05 2.44 1.43 -1.26 -5.12 118.68 120.90 1sn8 s LEU 122 Ca 0.74 -0.04 -0.35 0.00 -1.03 0.00 0.00 54.13 53.45 1sn8 s LEU 122 Cb -0.33 -0.34 -0.14 0.00 0.03 0.00 0.00 46.19 45.41 1sn8 s LEU 122 CO 0.30 -0.19 1.61 0.00 0.23 0.00 0.00 176.35 178.30 1sn8 n ALA 123 N 5.02 0.61 -0.95 4.21 0.00 -1.26 -1.85 120.51 126.29 1sn8 n ALA 123 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1sn8 n ALA 123 Cb 0.50 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1sn8 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sn8 n GLY 124 N 3.53 0.57 0.39 0.00 0.00 -1.26 -5.33 105.19 103.10 1sn8 n GLY 124 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 1sn8 n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18