#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 -0.16 -3.63 0.00 5.15 -1.26 -5.07 115.26 110.28 1sn8 n ASN 40 Ca 0.00 -2.78 -0.12 0.00 -0.60 0.00 0.00 54.58 51.08 1sn8 n ASN 40 Cb 0.00 -0.34 -0.07 0.00 -0.53 0.00 0.00 39.78 38.84 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 -1.02 0.00 0.04 -1.44 2.07 -1.26 -4.62 121.20 114.97 1sn8 s ILE 41 Ca 0.35 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.51 1sn8 s ILE 41 Cb 0.19 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.78 1sn8 s ILE 41 CO -0.12 0.00 0.17 -0.31 -1.91 0.00 0.00 174.94 172.76 1sn8 s TYR 42 N 0.75 0.09 -0.25 3.50 1.51 0.42 -5.00 117.35 118.36 1sn8 s TYR 42 Ca -0.03 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 55.59 1sn8 s TYR 42 Cb -0.05 -0.06 -0.05 0.00 -0.11 0.00 0.00 41.96 41.69 1sn8 s TYR 42 CO -0.05 -0.40 0.24 0.21 -1.11 0.00 0.00 175.55 174.43 1sn8 s LYS 43 N -2.50 4.03 0.11 -0.62 2.20 -1.26 -1.52 119.74 120.18 1sn8 s LYS 43 Ca -0.06 -0.17 0.11 0.00 -0.36 0.00 0.00 55.97 55.49 1sn8 s LYS 43 Cb -0.01 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1sn8 s LYS 43 CO -0.04 -0.10 -0.27 0.20 -0.36 0.00 0.00 175.35 174.79 1sn8 s GLY 44 N 1.41 1.54 -0.11 5.54 0.00 0.33 -4.59 107.32 111.43 1sn8 s GLY 44 Ca 0.10 -1.42 -0.02 0.00 0.00 0.00 0.00 44.72 43.38 1sn8 s GLY 44 CO 0.08 -1.38 -0.05 1.25 0.00 0.00 0.00 173.10 173.01 1sn8 s LYS 45 N -1.86 3.25 -0.12 2.90 2.20 -0.45 -0.70 119.74 124.96 1sn8 s LYS 45 Ca 0.13 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 1sn8 s LYS 45 Cb -0.10 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 1sn8 s LYS 45 CO 0.05 0.45 1.35 0.42 -0.36 0.00 0.00 175.35 177.26 1sn8 s ILE 46 N -0.22 4.09 -0.19 5.43 -1.09 -0.17 -1.18 121.20 127.88 1sn8 s ILE 46 Ca 0.04 1.35 0.05 0.00 -2.23 0.00 0.00 60.65 59.85 1sn8 s ILE 46 Cb -0.13 -3.87 -0.22 0.00 -1.58 0.00 0.00 42.46 36.67 1sn8 s ILE 46 CO 0.02 -0.10 0.08 0.35 -1.23 0.00 0.00 174.94 174.07 1sn8 n THR 47 N 5.26 1.55 -3.69 2.92 -2.24 -0.37 -0.76 114.28 116.96 1sn8 n THR 47 Ca 0.14 -0.68 -0.14 0.00 -2.27 0.00 0.00 64.05 61.09 1sn8 n THR 47 Cb 0.44 -1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 67.37 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 -2.53 0.69 -0.15 -0.78 3.52 -1.22 -4.87 118.95 113.61 1sn8 s ARG 48 Ca -0.23 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.76 1sn8 s ARG 48 Cb 0.08 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.80 1sn8 s ARG 48 CO 0.72 -0.15 -0.21 0.42 -0.81 0.00 0.00 175.30 175.27 1sn8 s ILE 49 N -0.45 2.10 -0.47 4.11 1.01 -1.26 -0.35 121.20 125.89 1sn8 s ILE 49 Ca -0.06 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1sn8 s ILE 49 Cb -0.03 -1.85 0.12 0.00 0.01 0.00 0.00 42.46 40.71 1sn8 s ILE 49 CO 0.03 0.55 0.23 -1.61 0.00 0.00 0.00 174.94 174.14 1sn8 s GLU 50 N 0.91 1.99 0.36 2.79 0.41 0.46 -4.97 118.70 120.65 1sn8 s GLU 50 Ca -0.04 -2.19 0.10 0.00 -0.41 0.00 0.00 54.97 52.42 1sn8 s GLU 50 Cb -0.15 -3.46 0.85 0.00 -1.78 0.00 0.00 34.13 29.59 1sn8 s GLU 50 CO -0.04 -1.07 1.86 -1.35 -0.49 0.00 0.00 175.26 174.17 1sn8 h PRO 51 N 7.33 0.64 0.00 0.39 0.11 -1.97 -1.71 132.00 136.79 1sn8 h PRO 51 Ca -0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1sn8 h PRO 51 Cb 0.98 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sn8 h PRO 51 CO 0.65 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.53 1sn8 h SER 52 N 0.66 0.00 -0.01 -2.05 4.64 -1.94 -1.94 113.55 112.90 1sn8 h SER 52 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1sn8 h SER 52 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1sn8 h SER 52 CO -0.22 0.00 -0.19 0.18 -0.87 0.00 0.00 176.83 175.74 1sn8 n LEU 53 N -2.98 1.86 -4.01 5.97 4.77 -0.72 -5.00 117.00 116.89 1sn8 n LEU 53 Ca -0.00 -0.86 -0.32 0.00 -0.03 0.00 0.00 56.01 54.80 1sn8 n LEU 53 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1sn8 n LEU 53 CO 0.24 0.35 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.78 1sn8 n GLU 54 N 0.27 -1.73 -3.61 3.23 -0.58 -0.72 -4.87 120.64 112.63 1sn8 n GLU 54 Ca 0.07 0.27 -0.11 0.00 -0.42 0.00 0.00 57.16 56.98 1sn8 n GLU 54 Cb 0.35 -3.82 -0.04 0.00 -0.57 0.00 0.00 31.44 27.35 1sn8 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sn8 s ALA 55 N -3.88 -1.03 0.17 0.62 0.00 -1.08 -1.32 121.76 115.24 1sn8 s ALA 55 Ca 0.19 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.27 1sn8 s ALA 55 Cb -0.09 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1sn8 s ALA 55 CO 0.93 -0.67 -0.21 0.00 0.00 0.00 0.00 175.76 175.80 1sn8 s ALA 56 N -3.80 2.25 -0.03 0.00 0.00 0.05 -0.40 121.76 119.82 1sn8 s ALA 56 Ca 0.03 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 1sn8 s ALA 56 Cb 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1sn8 s ALA 56 CO -0.12 0.34 0.18 -0.06 0.00 0.00 0.00 175.76 176.10 1sn8 s PHE 57 N -1.78 3.56 -0.07 0.00 0.08 0.52 -0.56 117.98 119.74 1sn8 s PHE 57 Ca 0.17 0.41 -0.00 0.00 0.12 0.00 0.00 56.93 57.62 1sn8 s PHE 57 Cb -0.07 -1.86 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1sn8 s PHE 57 CO 0.08 0.67 -0.02 0.08 -0.10 0.00 0.00 175.22 175.92 1sn8 s VAL 58 N -1.26 0.51 -0.51 -0.44 1.01 -0.41 -1.23 120.40 118.07 1sn8 s VAL 58 Ca 0.25 -0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 1sn8 s VAL 58 Cb -0.13 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.69 1sn8 s VAL 58 CO 0.15 0.26 0.91 -0.62 0.00 0.00 0.00 175.10 175.80 1sn8 s ASP 59 N 1.55 6.40 -0.09 3.32 -1.08 -0.32 -0.01 116.67 126.44 1sn8 s ASP 59 Ca -0.01 -0.16 0.13 0.00 -0.52 0.00 0.00 52.55 51.99 1sn8 s ASP 59 Cb -0.13 -2.43 0.35 0.00 -1.46 0.00 0.00 42.92 39.25 1sn8 s ASP 59 CO -0.04 -1.12 1.28 0.00 0.52 0.00 0.00 175.17 175.81 1sn8 n TYR 60 N 7.24 0.53 0.00 -5.34 4.11 -1.26 -1.34 117.16 121.10 1sn8 n TYR 60 Ca 0.03 -0.71 0.00 0.00 -0.00 0.00 0.00 57.90 57.22 1sn8 n TYR 60 Cb 0.48 -0.16 0.00 0.00 -0.00 0.00 0.00 39.34 39.66 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 -0.27 1.78 3.91 -7.48 0.00 -1.26 -4.79 105.19 97.08 1sn8 n GLY 61 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.12 3.50 0.08 4.61 0.00 -1.26 -5.02 121.76 121.55 1sn8 s ALA 62 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 1sn8 s ALA 62 Cb 0.00 -2.43 -0.08 0.00 0.00 0.00 0.00 23.12 20.60 1sn8 s ALA 62 CO 0.00 -0.16 1.49 0.93 0.00 0.00 0.00 175.76 178.01 1sn8 h GLU 63 N 0.62 0.49 -6.20 0.00 5.08 -2.00 -3.40 114.58 109.18 1sn8 h GLU 63 Ca -0.48 -0.18 -0.56 0.00 -1.00 0.00 0.00 59.36 57.14 1sn8 h GLU 63 Cb 1.21 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1sn8 h GLU 63 CO 0.62 0.70 0.97 1.03 -1.00 0.00 0.00 179.01 181.33 1sn8 s ARG 64 N -4.80 4.16 0.52 2.33 0.52 -1.26 -5.00 118.95 115.42 1sn8 s ARG 64 Ca -0.13 1.74 -0.23 0.00 -0.52 0.00 0.00 55.73 56.59 1sn8 s ARG 64 Cb 0.08 -3.84 -0.06 0.00 0.52 0.00 0.00 34.95 31.64 1sn8 s ARG 64 CO 0.76 -0.82 1.40 -1.01 0.02 0.00 0.00 175.30 175.65 1sn8 s HIS 65 N 3.82 2.30 0.61 -0.53 3.76 -1.26 -4.74 115.29 119.24 1sn8 s HIS 65 Ca 0.60 1.32 -0.08 0.00 -0.15 0.00 0.00 55.06 56.75 1sn8 s HIS 65 Cb -0.24 -3.87 -0.01 0.00 1.11 0.00 0.00 32.58 29.57 1sn8 s HIS 65 CO 0.20 -3.02 0.96 0.20 -0.85 0.00 0.00 174.74 172.23 1sn8 s GLY 66 N -0.78 1.60 -0.23 -2.22 0.00 0.98 -4.18 107.32 102.50 1sn8 s GLY 66 Ca 0.69 -0.43 -0.05 0.00 0.00 0.00 0.00 44.72 44.92 1sn8 s GLY 66 CO 0.52 -0.16 -0.01 -0.12 0.00 0.00 0.00 173.10 173.33 1sn8 s PHE 67 N -3.08 3.00 -0.38 1.90 5.36 0.00 -1.29 117.98 123.49 1sn8 s PHE 67 Ca 0.54 -0.79 0.03 0.00 -0.96 0.00 0.00 56.93 55.76 1sn8 s PHE 67 Cb -0.11 -2.15 0.11 0.00 -0.34 0.00 0.00 43.02 40.53 1sn8 s PHE 67 CO 0.49 -0.49 0.12 -1.17 -1.46 0.00 0.00 175.22 172.70 1sn8 s LEU 68 N 1.52 4.26 0.61 6.12 2.96 0.27 -0.60 118.68 133.82 1sn8 s LEU 68 Ca 0.06 -2.33 -0.14 0.00 -0.22 0.00 0.00 54.13 51.50 1sn8 s LEU 68 Cb -0.15 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1sn8 s LEU 68 CO -0.01 -0.34 1.04 -2.16 -1.32 0.00 0.00 176.35 173.56 1sn8 s PRO 69 N 0.67 3.34 0.33 0.98 0.04 -1.26 -0.77 135.00 138.34 1sn8 s PRO 69 Ca 0.13 1.09 0.08 0.00 0.04 0.00 0.00 61.00 62.33 1sn8 s PRO 69 Cb -0.21 -2.04 0.79 0.00 0.04 0.00 0.00 34.50 33.08 1sn8 s PRO 69 CO -0.08 -0.78 1.83 1.25 0.04 0.00 0.00 177.00 179.26 1sn8 h LEU 70 N 0.21 0.71 -2.17 -3.56 5.85 -1.54 -0.78 115.31 114.03 1sn8 h LEU 70 Ca -0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1sn8 h LEU 70 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1sn8 h LEU 70 CO 0.58 0.31 0.00 0.07 -0.34 0.00 0.00 178.44 179.06 1sn8 h LYS 71 N 0.73 0.00 -0.69 1.25 2.10 -1.93 -1.91 116.57 116.13 1sn8 h LYS 71 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1sn8 h LYS 71 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1sn8 h LYS 71 CO -0.28 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.56 1sn8 n GLU 72 N -2.87 3.47 -3.75 0.07 -0.58 -0.30 -4.91 120.64 111.77 1sn8 n GLU 72 Ca -0.01 -2.85 -0.37 0.00 -0.42 0.00 0.00 57.16 53.51 1sn8 n GLU 72 Cb 0.13 -1.81 -0.12 0.00 -0.57 0.00 0.00 31.44 29.08 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 -1.60 4.68 0.61 -3.67 1.01 -0.72 -1.29 121.20 120.22 1sn8 s ILE 73 Ca 0.51 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.95 1sn8 s ILE 73 Cb 0.31 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1sn8 s ILE 73 CO 0.28 0.33 1.09 0.00 0.00 0.00 0.00 174.94 176.64 1sn8 s ALA 74 N 1.45 2.63 0.02 9.38 0.00 -1.26 -4.92 121.76 129.05 1sn8 s ALA 74 Ca 0.06 0.53 0.31 0.00 0.00 0.00 0.00 51.96 52.86 1sn8 s ALA 74 Cb -0.15 -3.29 1.48 0.00 0.00 0.00 0.00 23.12 21.16 1sn8 s ALA 74 CO 0.05 -0.97 1.94 0.07 0.00 0.00 0.00 175.76 176.86 1sn8 h ARG 75 N 0.44 0.00 0.00 0.00 0.11 -1.98 -1.54 114.38 111.41 1sn8 h ARG 75 Ca -0.47 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 1sn8 h ARG 75 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 1sn8 h ARG 75 CO 0.56 0.00 -0.01 0.93 0.10 0.00 0.00 179.97 181.55 1sn8 h GLU 76 N 0.00 0.00 -0.00 0.08 3.07 -2.03 -1.62 114.58 114.08 1sn8 h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sn8 h GLU 76 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1sn8 h GLU 76 CO 0.00 0.01 -0.49 0.66 -1.40 0.00 0.00 179.01 177.79 1sn8 n TYR 77 N -3.28 0.00 -2.29 4.33 4.01 -0.58 -4.98 117.16 114.37 1sn8 n TYR 77 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.39 1sn8 n TYR 77 Cb 0.10 -0.18 -0.02 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.84 3.25 0.44 -0.72 0.40 -0.61 -4.75 117.98 113.15 1sn8 s PHE 78 Ca 0.15 1.49 -0.22 0.00 -0.60 0.00 0.00 56.93 57.75 1sn8 s PHE 78 Cb 0.18 -2.89 -0.10 0.00 0.51 0.00 0.00 43.02 40.72 1sn8 s PHE 78 CO 0.66 -0.66 1.00 -1.25 0.70 0.00 0.00 175.22 175.67 1sn8 s PRO 79 N -3.99 4.09 0.00 0.24 0.04 -1.26 -5.07 135.00 129.04 1sn8 s PRO 79 Ca 0.61 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.94 1sn8 s PRO 79 Cb -0.12 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1sn8 s PRO 79 CO 0.32 -0.17 0.56 0.00 0.04 0.00 0.00 177.00 177.75 1sn8 n ALA 80 N -0.56 2.10 0.00 8.56 0.00 -1.26 -5.15 120.51 124.21 1sn8 n ALA 80 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1sn8 n ALA 80 Cb 0.52 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1sn8 n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sn8 n PRO 88 N 2.01 0.00 -3.57 0.00 -0.04 -1.26 -5.25 135.00 126.90 1sn8 n PRO 88 Ca 0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 1sn8 n PRO 88 Cb 0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.58 1sn8 n PRO 88 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1sn8 s ASN 89 N 0.00 5.81 0.47 3.54 0.01 -1.26 -5.00 114.94 118.51 1sn8 s ASN 89 Ca 0.00 -0.26 0.17 0.00 -0.71 0.00 0.00 52.86 52.07 1sn8 s ASN 89 Cb 0.00 -1.19 1.16 0.00 0.41 0.00 0.00 41.25 41.63 1sn8 s ASN 89 CO 0.00 -0.40 1.99 -0.29 -1.51 0.00 0.00 177.10 176.89 1sn8 h ILE 90 N 0.99 0.85 -0.03 0.60 6.09 -1.94 -1.86 117.51 122.21 1sn8 h ILE 90 Ca -0.46 -0.09 -0.09 0.00 -1.37 0.00 0.00 64.86 62.85 1sn8 h ILE 90 Cb 1.25 0.57 -0.01 0.00 0.47 0.00 0.00 36.82 39.10 1sn8 h ILE 90 CO 0.54 0.05 -0.41 0.50 -3.07 0.00 0.00 178.15 175.76 1sn8 h LYS 91 N 0.26 0.06 0.00 2.19 3.64 -1.95 -1.57 116.57 119.20 1sn8 h LYS 91 Ca 0.26 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1sn8 h LYS 91 Cb 0.66 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1sn8 h LYS 91 CO -0.05 0.46 -0.19 -0.44 -2.27 0.00 0.00 179.45 176.95 1sn8 h ASP 92 N 0.05 0.00 0.00 4.20 3.32 -1.73 -3.40 116.42 118.86 1sn8 h ASP 92 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1sn8 h ASP 92 Cb 0.75 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 1sn8 h ASP 92 CO 0.06 0.19 -1.64 0.52 -1.72 0.00 0.00 179.24 176.65 1sn8 n VAL 93 N -3.19 1.53 -4.17 -1.35 0.31 -0.68 -4.60 118.33 106.19 1sn8 n VAL 93 Ca 0.02 -0.13 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 1sn8 n VAL 93 Cb 0.55 -2.00 -0.06 0.00 -0.91 0.00 0.00 33.84 31.42 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 -7.77 3.43 0.02 7.52 1.43 -0.69 -4.68 118.68 117.94 1sn8 s LEU 94 Ca -0.32 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.19 1sn8 s LEU 94 Cb 0.09 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1sn8 s LEU 94 CO 0.55 -0.09 0.10 0.00 0.23 0.00 0.00 176.35 177.14 1sn8 s ARG 95 N -3.78 0.50 0.38 1.70 1.70 -1.26 -4.69 118.95 113.50 1sn8 s ARG 95 Ca 0.34 -0.56 -0.26 0.00 -0.47 0.00 0.00 55.73 54.78 1sn8 s ARG 95 Cb -0.06 0.20 -0.11 0.00 -0.57 0.00 0.00 34.95 34.41 1sn8 s ARG 95 CO 0.22 -0.12 1.18 0.39 -1.08 0.00 0.00 175.30 175.90 1sn8 n GLU 96 N 1.22 1.78 0.00 3.89 1.02 -1.26 -2.41 120.64 124.88 1sn8 n GLU 96 Ca -0.22 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1sn8 n GLU 96 Cb 0.56 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1sn8 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sn8 n GLY 97 N 0.93 3.15 3.78 0.62 0.00 0.06 -4.95 105.19 108.78 1sn8 n GLY 97 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1sn8 n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sn8 s GLN 98 N -0.40 3.46 -0.03 1.61 0.74 -1.01 -4.70 119.66 119.34 1sn8 s GLN 98 Ca 0.00 1.47 0.01 0.00 0.05 0.00 0.00 55.36 56.89 1sn8 s GLN 98 Cb 0.00 -2.03 -0.03 0.00 1.10 0.00 0.00 33.01 32.04 1sn8 s GLN 98 CO 0.00 -0.73 -0.03 -1.21 -0.55 0.00 0.00 175.29 172.77 1sn8 s GLU 99 N -3.41 2.76 0.08 1.67 2.02 -1.26 -1.00 118.70 119.56 1sn8 s GLU 99 Ca 0.69 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 55.14 1sn8 s GLU 99 Cb -0.20 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 1sn8 s GLU 99 CO 0.27 0.64 -0.13 0.14 0.02 0.00 0.00 175.26 176.20 1sn8 s VAL 100 N -0.98 1.06 -0.25 2.63 -7.23 0.12 -4.95 120.40 110.80 1sn8 s VAL 100 Ca 0.17 -1.41 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 1sn8 s VAL 100 Cb -0.11 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 1sn8 s VAL 100 CO 0.07 -0.33 0.35 -0.63 -0.31 0.00 0.00 175.10 174.25 1sn8 s ILE 101 N -1.63 5.20 0.12 -0.62 1.01 -1.26 -0.51 121.20 123.51 1sn8 s ILE 101 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.24 1sn8 s ILE 101 Cb -0.08 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1sn8 s ILE 101 CO 0.02 0.20 -0.11 0.68 0.00 0.00 0.00 174.94 175.72 1sn8 s VAL 102 N 1.82 1.12 0.22 2.92 -7.23 -0.57 -4.25 120.40 114.43 1sn8 s VAL 102 Ca 0.15 -1.83 0.07 0.00 -1.81 0.00 0.00 61.98 58.56 1sn8 s VAL 102 Cb -0.15 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 1sn8 s VAL 102 CO 0.09 -0.61 -0.12 0.00 -0.31 0.00 0.00 175.10 174.16 1sn8 s GLN 103 N -3.16 1.38 -0.20 4.82 -2.07 -0.47 -0.44 119.66 119.52 1sn8 s GLN 103 Ca 0.11 -1.64 -0.22 0.00 -1.82 0.00 0.00 55.36 51.79 1sn8 s GLN 103 Cb -0.01 -1.09 -0.02 0.00 -1.09 0.00 0.00 33.01 30.80 1sn8 s GLN 103 CO 0.01 0.13 0.70 0.42 -1.32 0.00 0.00 175.29 175.23 1sn8 s ILE 104 N -3.01 4.97 -0.16 3.63 1.01 -1.26 -1.65 121.20 124.73 1sn8 s ILE 104 Ca 0.24 1.33 0.06 0.00 0.00 0.00 0.00 60.65 62.28 1sn8 s ILE 104 Cb 0.01 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.24 1sn8 s ILE 104 CO 0.08 0.07 0.20 0.47 0.00 0.00 0.00 174.94 175.76 1sn8 n ASP 105 N 5.20 1.31 -4.00 3.58 8.00 0.80 -4.88 116.55 126.56 1sn8 n ASP 105 Ca 0.01 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 1sn8 n ASP 105 Cb 0.49 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.30 1sn8 n ASP 105 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sn8 s LYS 106 N -2.54 1.34 0.99 -1.24 1.02 -1.05 -4.98 119.74 113.28 1sn8 s LYS 106 Ca -0.19 -0.34 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 1sn8 s LYS 106 Cb 0.07 -1.17 0.18 0.00 -0.52 0.00 0.00 37.83 36.40 1sn8 s LYS 106 CO 0.75 0.04 1.09 -1.21 -0.92 0.00 0.00 175.35 175.10 1sn8 s GLU 107 N 0.55 0.49 0.27 1.68 0.41 -1.26 -0.99 118.70 119.84 1sn8 s GLU 107 Ca -0.10 1.07 -0.30 0.00 -0.41 0.00 0.00 54.97 55.23 1sn8 s GLU 107 Cb -0.13 -1.70 -0.14 0.00 -1.78 0.00 0.00 34.13 30.38 1sn8 s GLU 107 CO 0.02 -2.84 1.19 0.39 -0.49 0.00 0.00 175.26 173.53 1sn8 n GLU 108 N -4.33 1.66 -3.61 1.61 1.02 -1.26 -4.59 120.64 111.14 1sn8 n GLU 108 Ca 0.07 0.58 -0.16 0.00 -0.02 0.00 0.00 57.16 57.63 1sn8 n GLU 108 Cb 0.54 -2.09 -0.07 0.00 -0.02 0.00 0.00 31.44 29.80 1sn8 n GLU 108 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1sn8 s ARG 109 N -1.17 0.92 3.43 3.49 1.70 -1.11 -4.98 118.95 121.23 1sn8 s ARG 109 Ca 0.62 0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.98 1sn8 s ARG 109 Cb -0.68 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.12 1sn8 s ARG 109 CO 0.57 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.92 1sn8 n GLY 110 N 1.04 2.79 1.77 3.88 0.00 -1.26 -0.39 105.19 113.02 1sn8 n GLY 110 Ca -0.20 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.73 1sn8 n GLY 110 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sn8 n ASN 111 N 1.97 4.81 -4.84 1.61 6.94 -1.26 -4.99 115.26 119.51 1sn8 n ASN 111 Ca 0.00 -2.91 -0.36 0.00 -0.02 0.00 0.00 54.58 51.29 1sn8 n ASN 111 Cb 0.00 -0.69 -0.07 0.00 -2.36 0.00 0.00 39.78 36.67 1sn8 n ASN 111 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1sn8 s LYS 112 N -2.57 3.34 1.20 -3.83 1.02 0.48 -5.11 119.74 114.27 1sn8 s LYS 112 Ca 0.47 -0.20 -0.14 0.00 0.02 0.00 0.00 55.97 56.12 1sn8 s LYS 112 Cb 0.37 -3.10 0.30 0.00 -0.52 0.00 0.00 37.83 34.88 1sn8 s LYS 112 CO 0.13 0.76 1.01 0.20 -0.92 0.00 0.00 175.35 176.53 1sn8 s GLY 113 N -1.06 1.52 0.41 -3.33 0.00 -1.26 -2.74 107.32 100.87 1sn8 s GLY 113 Ca 0.15 -0.25 -0.26 0.00 0.00 0.00 0.00 44.72 44.37 1sn8 s GLY 113 CO 0.05 0.52 1.34 0.00 0.00 0.00 0.00 173.10 175.00 1sn8 s ALA 114 N -2.45 3.28 -0.20 3.20 0.00 -1.26 -4.49 121.76 119.83 1sn8 s ALA 114 Ca 0.68 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.67 1sn8 s ALA 114 Cb -0.24 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.37 1sn8 s ALA 114 CO 0.64 -0.91 0.94 0.00 0.00 0.00 0.00 175.76 176.43 1sn8 s ALA 115 N -1.24 3.59 0.23 0.00 0.00 -0.16 -0.82 121.76 123.36 1sn8 s ALA 115 Ca 0.57 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.72 1sn8 s ALA 115 Cb -0.40 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1sn8 s ALA 115 CO 0.51 -0.85 0.15 -0.51 0.00 0.00 0.00 175.76 175.06 1sn8 s LEU 116 N 2.68 3.72 0.03 0.00 1.43 0.23 -0.14 118.68 126.63 1sn8 s LEU 116 Ca 0.41 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1sn8 s LEU 116 Cb -0.16 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1sn8 s LEU 116 CO 0.10 -0.01 0.00 0.28 0.23 0.00 0.00 176.35 176.95 1sn8 s THR 117 N -2.06 0.14 -1.62 5.49 -1.32 -0.66 -4.56 115.64 111.06 1sn8 s THR 117 Ca 0.32 -1.17 0.25 0.00 -1.21 0.00 0.00 61.69 59.88 1sn8 s THR 117 Cb -0.08 -0.72 0.14 0.00 -1.51 0.00 0.00 72.50 70.33 1sn8 s THR 117 CO 0.24 -0.65 1.41 0.35 -2.21 0.00 0.00 174.62 173.76 1sn8 n THR 118 N 1.05 0.00 -2.73 5.08 -2.24 -0.41 -1.37 114.28 113.66 1sn8 n THR 118 Ca -0.20 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 1sn8 n THR 118 Cb 0.57 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.62 2.93 0.18 4.78 0.08 -1.26 -4.81 117.98 117.25 1sn8 s PHE 119 Ca 0.20 -1.43 -0.30 0.00 0.12 0.00 0.00 56.93 55.52 1sn8 s PHE 119 Cb 0.18 -4.54 -0.08 0.00 -0.57 0.00 0.00 43.02 38.02 1sn8 s PHE 119 CO 0.59 -1.69 1.07 0.42 -0.10 0.00 0.00 175.22 175.51 1sn8 s ILE 120 N 3.57 3.95 -0.32 0.64 -1.09 -1.26 -4.97 121.20 121.71 1sn8 s ILE 120 Ca 0.44 1.69 -0.29 0.00 -2.23 0.00 0.00 60.65 60.26 1sn8 s ILE 120 Cb -0.01 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.80 1sn8 s ILE 120 CO -0.03 0.30 1.17 -0.44 -1.23 0.00 0.00 174.94 174.70 1sn8 s SER 121 N -0.18 6.82 -0.11 3.58 0.01 -1.26 -5.02 113.70 117.54 1sn8 s SER 121 Ca 0.48 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1sn8 s SER 121 Cb -0.28 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.43 1sn8 s SER 121 CO 0.34 -0.98 -0.09 -0.76 0.41 0.00 0.00 173.24 172.16 1sn8 s LEU 122 N 3.97 1.33 0.34 2.44 1.43 -1.26 -5.11 118.68 121.81 1sn8 s LEU 122 Ca 0.50 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 1sn8 s LEU 122 Cb -0.14 -0.90 -0.12 0.00 0.03 0.00 0.00 46.19 45.06 1sn8 s LEU 122 CO 0.19 -0.09 1.39 0.00 0.23 0.00 0.00 176.35 178.07 1sn8 n ALA 123 N 4.79 1.72 -0.88 4.21 0.00 -1.26 -2.98 120.51 126.11 1sn8 n ALA 123 Ca -0.14 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1sn8 n ALA 123 Cb 0.50 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 0.91 0.53 0.00 0.00 0.00 -1.26 -5.32 105.19 100.05 1sn8 n GLY 124 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1sn8 n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18