#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tz8 n PRO 11 N 0.00 0.25 -3.71 0.00 -0.04 -1.26 -4.73 135.00 125.50 1tz8 n PRO 11 Ca 0.00 0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 1tz8 n PRO 11 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 1tz8 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1tz8 s LEU 12 N -2.73 0.43 0.00 1.53 2.96 -1.26 0.25 118.68 119.87 1tz8 s LEU 12 Ca 0.21 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1tz8 s LEU 12 Cb 0.18 0.11 -0.00 0.00 0.50 0.00 0.00 46.19 46.98 1tz8 s LEU 12 CO 0.45 -0.20 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.94 1tz8 s MET 13 N 1.72 0.12 -0.09 1.98 -2.45 -0.13 -4.45 119.30 116.00 1tz8 s MET 13 Ca -0.02 -0.13 0.04 0.00 -1.25 0.00 0.00 55.69 54.33 1tz8 s MET 13 Cb -0.12 -0.06 0.00 0.00 1.25 0.00 0.00 34.83 35.90 1tz8 s MET 13 CO -0.04 0.01 -0.21 0.08 1.05 0.00 0.00 175.02 175.90 1tz8 s VAL 14 N -0.24 1.85 -0.04 10.11 1.01 -1.05 -0.39 120.40 131.65 1tz8 s VAL 14 Ca -0.02 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1tz8 s VAL 14 Cb -0.02 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1tz8 s VAL 14 CO -0.00 0.51 -0.11 -0.75 0.00 0.00 0.00 175.10 174.75 1tz8 s LYS 15 N 0.35 1.28 -0.06 2.72 2.20 0.14 -0.59 119.74 125.79 1tz8 s LYS 15 Ca -0.16 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1tz8 s LYS 15 Cb -0.17 -1.14 0.02 0.00 -1.51 0.00 0.00 37.83 35.03 1tz8 s LYS 15 CO 0.07 0.12 -0.04 0.08 -0.36 0.00 0.00 175.35 175.22 1tz8 s VAL 16 N 0.29 0.54 0.15 4.02 1.01 -0.01 -1.00 120.40 125.39 1tz8 s VAL 16 Ca -0.06 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1tz8 s VAL 16 Cb -0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1tz8 s VAL 16 CO 0.01 0.25 -0.26 -0.76 0.00 0.00 0.00 175.10 174.34 1tz8 s LEU 17 N 1.27 2.35 -0.35 3.92 1.43 -0.40 -0.53 118.68 126.36 1tz8 s LEU 17 Ca -0.05 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 1tz8 s LEU 17 Cb -0.14 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1tz8 s LEU 17 CO -0.02 0.16 0.20 -0.62 0.23 0.00 0.00 176.35 176.30 1tz8 s ASP 18 N -2.21 5.73 0.37 2.29 -1.08 0.76 -0.87 116.67 121.66 1tz8 s ASP 18 Ca 0.16 -0.76 0.26 0.00 -0.52 0.00 0.00 52.55 51.69 1tz8 s ASP 18 Cb -0.09 -2.04 0.79 0.00 -1.46 0.00 0.00 42.92 40.11 1tz8 s ASP 18 CO 0.07 -0.31 1.75 0.00 0.52 0.00 0.00 175.17 177.20 1tz8 h ALA 19 N 8.43 1.00 0.15 3.66 0.00 -1.25 -1.53 119.26 129.71 1tz8 h ALA 19 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 1tz8 h ALA 19 Cb 1.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1tz8 h ALA 19 CO 0.65 0.00 -1.46 0.28 0.00 0.00 0.00 179.25 178.72 1tz8 h VAL 20 N 0.00 1.06 -0.00 0.00 2.07 -1.94 -3.37 116.25 114.06 1tz8 h VAL 20 Ca 0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1tz8 h VAL 20 Cb 0.73 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1tz8 h VAL 20 CO 0.00 0.76 -0.70 0.54 0.02 0.00 0.00 177.57 178.19 1tz8 n ARG 21 N -3.83 0.40 -3.33 1.57 1.74 -1.24 -4.99 116.66 106.98 1tz8 n ARG 21 Ca -0.23 -0.31 -0.16 0.00 -0.77 0.00 0.00 57.85 56.38 1tz8 n ARG 21 Cb 0.96 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.99 1tz8 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tz8 n GLY 22 N 1.46 -0.38 3.54 -0.13 0.00 -0.60 -5.02 105.19 104.06 1tz8 n GLY 22 Ca 0.06 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1tz8 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tz8 s SER 23 N -4.20 -0.09 0.65 1.61 1.04 -1.06 -5.01 113.70 106.64 1tz8 s SER 23 Ca 0.04 -0.87 -0.17 0.00 0.48 0.00 0.00 55.95 55.43 1tz8 s SER 23 Cb -0.01 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 1tz8 s SER 23 CO 0.69 -1.09 1.20 -2.84 0.98 0.00 0.00 173.24 172.18 1tz8 s PRO 24 N -3.99 2.64 -0.54 4.02 0.02 -1.26 -0.17 135.00 135.72 1tz8 s PRO 24 Ca 0.20 1.77 -0.20 0.00 0.02 0.00 0.00 61.00 62.79 1tz8 s PRO 24 Cb -0.00 -1.89 0.07 0.00 0.02 0.00 0.00 34.50 32.69 1tz8 s PRO 24 CO 0.06 -1.45 0.69 0.00 -0.33 0.00 0.00 177.00 175.96 1tz8 s ALA 25 N -1.80 3.36 0.13 -1.55 0.00 0.31 -4.52 121.76 117.68 1tz8 s ALA 25 Ca 0.75 -1.82 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 1tz8 s ALA 25 Cb -0.29 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 1tz8 s ALA 25 CO 0.39 -2.15 0.44 0.42 0.00 0.00 0.00 175.76 174.85 1tz8 s ILE 26 N 2.82 5.06 -1.69 0.00 1.01 -1.26 -4.26 121.20 122.88 1tz8 s ILE 26 Ca 0.16 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 1tz8 s ILE 26 Cb -0.20 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1tz8 s ILE 26 CO 0.11 0.17 0.17 -3.20 0.00 0.00 0.00 174.94 172.19 1tz8 n ASN 27 N 0.54 -5.88 -4.71 3.58 5.15 0.01 -4.93 115.26 109.02 1tz8 n ASN 27 Ca -0.05 -0.09 -0.40 0.00 -0.60 0.00 0.00 54.58 53.43 1tz8 n ASN 27 Cb 0.52 -4.84 -0.04 0.00 -0.53 0.00 0.00 39.78 34.89 1tz8 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tz8 s VAL 28 N -3.06 5.00 0.10 3.44 1.01 -1.26 -4.71 120.40 120.92 1tz8 s VAL 28 Ca 0.08 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 1tz8 s VAL 28 Cb -0.04 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1tz8 s VAL 28 CO 0.10 0.20 1.13 0.00 0.00 0.00 0.00 175.10 176.52 1tz8 s ALA 29 N 1.10 3.35 -0.09 5.51 0.00 -1.26 -1.18 121.76 129.20 1tz8 s ALA 29 Ca 0.39 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.16 1tz8 s ALA 29 Cb -0.18 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1tz8 s ALA 29 CO 0.18 -0.31 -0.14 0.08 0.00 0.00 0.00 175.76 175.57 1tz8 s VAL 30 N 0.48 1.36 -0.12 0.00 1.01 -0.27 -0.30 120.40 122.56 1tz8 s VAL 30 Ca 0.54 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1tz8 s VAL 30 Cb -0.28 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1tz8 s VAL 30 CO 0.32 0.41 -0.23 -1.00 0.00 0.00 0.00 175.10 174.60 1tz8 s HIS 31 N 0.81 2.56 -0.06 5.22 3.76 -0.42 -1.79 115.29 125.38 1tz8 s HIS 31 Ca -0.11 -1.17 -0.01 0.00 -0.15 0.00 0.00 55.06 53.62 1tz8 s HIS 31 Cb -0.16 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 1tz8 s HIS 31 CO 0.02 -0.51 0.02 0.08 -0.85 0.00 0.00 174.74 173.50 1tz8 s VAL 32 N 0.58 4.38 0.09 -0.90 1.01 0.33 -0.59 120.40 125.30 1tz8 s VAL 32 Ca -0.13 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1tz8 s VAL 32 Cb -0.17 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1tz8 s VAL 32 CO 0.04 0.53 -0.14 -0.36 0.00 0.00 0.00 175.10 175.17 1tz8 s PHE 33 N -0.97 1.27 -0.03 5.22 0.08 0.96 -0.37 117.98 124.14 1tz8 s PHE 33 Ca 0.16 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.77 1tz8 s PHE 33 Cb -0.11 -0.69 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 1tz8 s PHE 33 CO 0.05 0.08 -0.23 0.50 -0.10 0.00 0.00 175.22 175.52 1tz8 s ARG 34 N -2.13 2.11 -0.05 0.44 3.52 -0.04 0.03 118.95 122.82 1tz8 s ARG 34 Ca 0.02 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 1tz8 s ARG 34 Cb -0.08 -1.92 -0.03 0.00 -1.56 0.00 0.00 34.95 31.36 1tz8 s ARG 34 CO 0.02 0.44 1.12 0.21 -0.81 0.00 0.00 175.30 176.28 1tz8 s LYS 35 N -0.36 4.40 0.52 5.12 2.20 -0.14 -1.17 119.74 130.31 1tz8 s LYS 35 Ca 0.03 1.58 -0.00 0.00 -0.36 0.00 0.00 55.97 57.22 1tz8 s LYS 35 Cb -0.11 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1tz8 s LYS 35 CO 0.01 -0.35 0.75 0.00 -0.36 0.00 0.00 175.35 175.40 1tz8 s ALA 36 N 1.90 3.75 0.31 3.13 0.00 0.08 -4.71 121.76 126.21 1tz8 s ALA 36 Ca 0.54 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1tz8 s ALA 36 Cb -0.23 -2.18 0.85 0.00 0.00 0.00 0.00 23.12 21.56 1tz8 s ALA 36 CO 0.22 -0.62 1.63 0.00 0.00 0.00 0.00 175.76 177.00 1tz8 h ALA 37 N 0.16 1.48 0.00 0.00 0.00 -1.96 0.51 119.26 119.45 1tz8 h ALA 37 Ca -0.44 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1tz8 h ALA 37 Cb 1.27 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1tz8 h ALA 37 CO 0.55 -0.55 0.00 -0.40 0.00 0.00 0.00 179.25 178.86 1tz8 n ASP 38 N -5.23 0.00 -0.00 0.00 5.75 -1.26 -4.82 116.55 110.99 1tz8 n ASP 38 Ca 0.25 -0.07 -0.00 0.00 -0.01 0.00 0.00 54.79 54.96 1tz8 n ASP 38 Cb 0.81 -0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1tz8 n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1tz8 n ASP 39 N -1.21 -3.04 -4.93 -1.12 4.64 0.18 -5.03 116.55 106.03 1tz8 n ASP 39 Ca 0.08 0.00 -0.25 0.00 -1.38 0.00 0.00 54.79 53.24 1tz8 n ASP 39 Cb 0.10 -0.54 -0.02 0.00 -1.04 0.00 0.00 41.12 39.62 1tz8 n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1tz8 s THR 40 N -1.99 5.10 -0.24 5.18 2.01 -1.26 -4.81 115.64 119.63 1tz8 s THR 40 Ca 0.00 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 61.48 1tz8 s THR 40 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1tz8 s THR 40 CO 0.00 -0.47 0.53 0.26 -0.69 0.00 0.00 174.62 174.24 1tz8 s TRP 41 N -2.23 3.30 -0.15 4.92 0.52 -1.26 -0.74 118.94 123.30 1tz8 s TRP 41 Ca 0.41 0.69 -0.05 0.00 0.02 0.00 0.00 56.10 57.17 1tz8 s TRP 41 Cb -0.10 -2.72 -0.03 0.00 -1.15 0.00 0.00 33.47 29.47 1tz8 s TRP 41 CO 0.34 -0.24 0.00 -1.83 0.02 0.00 0.00 176.95 175.24 1tz8 s GLU 42 N 2.15 3.69 0.01 4.98 1.03 -0.32 -4.91 118.70 125.33 1tz8 s GLU 42 Ca 0.22 -0.44 -0.38 0.00 0.03 0.00 0.00 54.97 54.40 1tz8 s GLU 42 Cb -0.16 -3.00 -0.17 0.00 -0.80 0.00 0.00 34.13 30.00 1tz8 s GLU 42 CO 0.09 0.32 1.37 -2.30 -1.33 0.00 0.00 175.26 173.40 1tz8 n PRO 43 N 3.34 0.98 -0.03 -4.83 -0.02 -1.26 -0.86 135.00 132.32 1tz8 n PRO 43 Ca -0.17 0.35 -0.05 0.00 -2.02 0.00 0.00 63.50 61.61 1tz8 n PRO 43 Cb 0.53 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1tz8 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tz8 n PHE 44 N 2.82 0.00 -3.61 6.00 7.35 0.50 -4.79 117.46 125.74 1tz8 n PHE 44 Ca 0.20 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.83 1tz8 n PHE 44 Cb 0.16 -0.21 -0.02 0.00 0.35 0.00 0.00 39.48 39.76 1tz8 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tz8 s ALA 45 N -2.11 -1.81 0.20 3.13 0.00 -1.10 -5.01 121.76 115.07 1tz8 s ALA 45 Ca -0.08 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.36 1tz8 s ALA 45 Cb 0.03 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.65 1tz8 s ALA 45 CO 0.12 -0.84 0.78 -1.54 0.00 0.00 0.00 175.76 174.28 1tz8 s SER 46 N -2.66 -0.30 0.00 0.00 1.04 -1.26 -0.52 113.70 110.00 1tz8 s SER 46 Ca 0.09 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1tz8 s SER 46 Cb -0.01 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1tz8 s SER 46 CO -0.04 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1tz8 n GLY 47 N -0.43 -1.12 3.09 7.32 0.00 -0.74 -4.96 105.19 108.34 1tz8 n GLY 47 Ca -0.07 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 1tz8 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tz8 s LYS 48 N -0.90 0.79 0.50 1.61 3.01 -1.26 -1.11 119.74 122.37 1tz8 s LYS 48 Ca 0.00 -0.62 -0.23 0.00 -1.01 0.00 0.00 55.97 54.11 1tz8 s LYS 48 Cb 0.00 -0.74 -0.06 0.00 -1.01 0.00 0.00 37.83 36.01 1tz8 s LYS 48 CO 0.00 0.19 1.32 0.95 0.51 0.00 0.00 175.35 178.32 1tz8 s THR 49 N -0.74 2.35 0.56 2.17 -4.23 -0.32 -4.76 115.64 110.67 1tz8 s THR 49 Ca 0.00 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 1tz8 s THR 49 Cb -0.07 -3.15 0.13 0.00 1.34 0.00 0.00 72.50 70.75 1tz8 s THR 49 CO 0.01 0.01 0.76 -1.54 -0.54 0.00 0.00 174.62 173.31 1tz8 n SER 50 N -0.67 0.09 0.27 3.99 3.41 0.59 -0.81 113.62 120.49 1tz8 n SER 50 Ca 0.08 -1.29 0.17 0.00 -0.26 0.00 0.00 58.87 57.57 1tz8 n SER 50 Cb 0.45 -0.58 0.92 0.00 -0.26 0.00 0.00 64.21 64.74 1tz8 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tz8 h GLU 51 N 0.00 0.00 -0.10 4.33 4.39 -1.95 0.91 114.58 122.16 1tz8 h GLU 51 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1tz8 h GLU 51 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1tz8 h GLU 51 CO 0.18 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.90 1tz8 n SER 52 N -3.69 1.54 -0.05 1.42 3.41 -1.26 -4.80 113.62 110.19 1tz8 n SER 52 Ca -0.01 -1.61 -0.01 0.00 -0.26 0.00 0.00 58.87 56.98 1tz8 n SER 52 Cb 0.19 -0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1tz8 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tz8 n GLY 53 N 1.14 0.48 3.56 5.00 0.00 0.31 -4.76 105.19 110.92 1tz8 n GLY 53 Ca 0.17 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1tz8 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tz8 s GLU 54 N -0.88 2.15 -0.29 1.61 2.02 -1.26 -0.83 118.70 121.23 1tz8 s GLU 54 Ca 0.00 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.02 1tz8 s GLU 54 Cb 0.00 -2.30 0.08 0.00 0.10 0.00 0.00 34.13 32.01 1tz8 s GLU 54 CO 0.00 0.52 0.00 -1.17 0.02 0.00 0.00 175.26 174.64 1tz8 s LEU 55 N -2.00 3.36 0.20 1.80 2.96 0.25 -0.30 118.68 124.95 1tz8 s LEU 55 Ca 0.20 -1.63 0.06 0.00 -0.22 0.00 0.00 54.13 52.54 1tz8 s LEU 55 Cb -0.11 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1tz8 s LEU 55 CO 0.12 -0.31 0.18 -1.00 -1.32 0.00 0.00 176.35 174.01 1tz8 s HIS 56 N 1.23 3.18 0.00 5.38 3.76 -1.26 -2.52 115.29 125.06 1tz8 s HIS 56 Ca 0.03 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 1tz8 s HIS 56 Cb -0.19 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.01 1tz8 s HIS 56 CO -0.10 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.71 1tz8 n GLY 57 N -0.71 0.42 0.30 -2.22 0.00 -1.26 -4.93 105.19 96.79 1tz8 n GLY 57 Ca -0.08 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 44.93 1tz8 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tz8 h LEU 58 N 0.00 0.54 0.00 0.99 3.38 -1.84 -3.47 115.31 114.91 1tz8 h LEU 58 Ca 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1tz8 h LEU 58 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1tz8 h LEU 58 CO 0.00 0.49 0.12 1.07 0.09 0.00 0.00 178.44 180.21 1tz8 n THR 59 N -4.38 0.00 -4.25 0.22 5.66 -1.26 -4.76 114.28 105.51 1tz8 n THR 59 Ca 0.03 -0.98 -0.14 0.00 -3.05 0.00 0.00 64.05 59.91 1tz8 n THR 59 Cb 0.14 0.82 -0.10 0.00 -1.55 0.00 0.00 70.33 69.64 1tz8 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tz8 s THR 60 N -2.41 0.36 0.63 1.09 -4.23 -1.26 -4.61 115.64 105.21 1tz8 s THR 60 Ca 0.16 -1.99 0.37 0.00 -1.18 0.00 0.00 61.69 59.05 1tz8 s THR 60 Cb -0.03 -2.44 0.40 0.00 1.34 0.00 0.00 72.50 71.77 1tz8 s THR 60 CO 0.12 -0.13 2.31 1.05 -0.54 0.00 0.00 174.62 177.43 1tz8 h GLU 61 N 2.56 0.00 0.02 3.99 9.09 -1.99 -0.19 114.58 128.05 1tz8 h GLU 61 Ca -0.37 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.04 1tz8 h GLU 61 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1tz8 h GLU 61 CO 0.59 0.00 -0.01 0.93 0.05 0.00 0.00 179.01 180.57 1tz8 h GLU 62 N 0.00 -0.02 0.00 1.06 4.39 -2.05 -3.34 114.58 114.62 1tz8 h GLU 62 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1tz8 h GLU 62 Cb 0.02 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1tz8 h GLU 62 CO -0.00 0.31 -1.31 0.39 -1.16 0.00 0.00 179.01 177.24 1tz8 n GLU 63 N -4.94 0.62 -2.21 2.33 4.71 -0.89 -4.68 120.64 115.57 1tz8 n GLU 63 Ca -0.08 0.13 -0.42 0.00 -0.01 0.00 0.00 57.16 56.78 1tz8 n GLU 63 Cb 0.18 -1.78 -0.01 0.00 -1.01 0.00 0.00 31.44 28.83 1tz8 n GLU 63 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1tz8 n PHE 64 N -2.73 4.07 -2.55 -0.32 7.35 -0.13 -4.95 117.46 118.19 1tz8 n PHE 64 Ca -0.06 -2.76 -0.25 0.00 -0.76 0.00 0.00 57.45 53.62 1tz8 n PHE 64 Cb 0.69 -2.58 0.03 0.00 0.35 0.00 0.00 39.48 37.98 1tz8 n PHE 64 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1tz8 s VAL 65 N 4.34 3.49 0.15 -2.13 0.11 -1.26 -4.90 120.40 120.20 1tz8 s VAL 65 Ca 0.53 -0.23 -0.34 0.00 -2.93 0.00 0.00 61.98 59.02 1tz8 s VAL 65 Cb 0.07 -3.36 -0.16 0.00 -1.53 0.00 0.00 36.38 31.40 1tz8 s VAL 65 CO 0.03 -0.33 1.20 1.21 -3.33 0.00 0.00 175.10 173.88 1tz8 n GLU 66 N -2.47 1.16 0.00 1.54 4.07 -1.26 -4.80 120.64 118.88 1tz8 n GLU 66 Ca 0.04 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1tz8 n GLU 66 Cb 0.58 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 1tz8 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tz8 n GLY 67 N 2.12 -0.80 3.58 8.31 0.00 -0.93 -4.98 105.19 112.49 1tz8 n GLY 67 Ca 0.16 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1tz8 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tz8 s ILE 68 N -2.00 4.80 0.08 -0.61 1.01 -1.26 0.56 121.20 123.77 1tz8 s ILE 68 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.71 1tz8 s ILE 68 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1tz8 s ILE 68 CO 0.00 0.38 -0.19 -0.31 0.00 0.00 0.00 174.94 174.82 1tz8 s TYR 69 N 1.03 2.52 -0.15 3.97 1.51 0.16 -0.97 117.35 125.43 1tz8 s TYR 69 Ca 0.05 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1tz8 s TYR 69 Cb -0.14 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1tz8 s TYR 69 CO 0.03 0.30 -0.21 0.21 -1.11 0.00 0.00 175.55 174.77 1tz8 s LYS 70 N -1.74 3.03 -0.33 -0.62 2.20 0.10 -1.60 119.74 120.79 1tz8 s LYS 70 Ca 0.16 -0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 54.86 1tz8 s LYS 70 Cb -0.10 -2.47 0.03 0.00 -1.51 0.00 0.00 37.83 33.78 1tz8 s LYS 70 CO 0.07 -0.04 0.10 0.08 -0.36 0.00 0.00 175.35 175.20 1tz8 s VAL 71 N 0.89 3.86 -0.25 4.02 1.01 0.46 -0.03 120.40 130.36 1tz8 s VAL 71 Ca -0.05 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 1tz8 s VAL 71 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1tz8 s VAL 71 CO -0.03 -0.11 0.09 -0.70 0.00 0.00 0.00 175.10 174.34 1tz8 s GLU 72 N 1.44 3.69 -0.24 2.72 2.12 0.24 -1.14 118.70 127.52 1tz8 s GLU 72 Ca -0.00 -0.46 -0.08 0.00 0.36 0.00 0.00 54.97 54.78 1tz8 s GLU 72 Cb -0.19 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1tz8 s GLU 72 CO 0.03 -0.19 0.10 0.42 -0.54 0.00 0.00 175.26 175.08 1tz8 s ILE 73 N 1.63 4.69 -1.36 -3.70 1.01 0.95 -1.30 121.20 123.12 1tz8 s ILE 73 Ca 0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 1tz8 s ILE 73 Cb -0.15 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.18 1tz8 s ILE 73 CO 0.05 0.34 1.98 -0.67 0.00 0.00 0.00 174.94 176.63 1tz8 n ASP 74 N 4.66 4.36 -0.02 3.58 -0.08 0.59 -1.65 116.55 127.98 1tz8 n ASP 74 Ca -0.16 -2.87 -0.03 0.00 -1.51 0.00 0.00 54.79 50.22 1tz8 n ASP 74 Cb 0.52 -1.70 0.20 0.00 2.34 0.00 0.00 41.12 42.48 1tz8 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1tz8 h THR 75 N 4.82 1.25 -0.45 5.18 1.35 -1.86 -3.20 112.91 120.00 1tz8 h THR 75 Ca 0.50 -1.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 1tz8 h THR 75 Cb 0.76 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 1tz8 h THR 75 CO 1.67 0.37 0.24 0.50 -0.25 0.00 0.00 175.52 178.05 1tz8 h LYS 76 N 0.53 0.63 -0.27 4.72 3.64 -1.74 -2.37 116.57 121.71 1tz8 h LYS 76 Ca 0.09 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1tz8 h LYS 76 Cb 0.57 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1tz8 h LYS 76 CO 0.04 0.51 -0.12 0.77 -2.27 0.00 0.00 179.45 178.37 1tz8 h SER 77 N 0.59 0.44 0.44 4.20 0.02 -1.88 -1.17 113.55 116.18 1tz8 h SER 77 Ca 0.16 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1tz8 h SER 77 Cb 0.06 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1tz8 h SER 77 CO -0.02 0.60 -0.22 0.22 -1.14 0.00 0.00 176.83 176.26 1tz8 h TYR 78 N 0.43 -0.58 -0.47 3.45 3.20 -1.45 -2.33 116.97 119.22 1tz8 h TYR 78 Ca 0.08 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 1tz8 h TYR 78 Cb 0.47 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1tz8 h TYR 78 CO 0.01 -0.36 -0.12 -1.49 -1.64 0.00 0.00 178.16 174.57 1tz8 h TRP 79 N -0.61 1.02 -0.35 -3.82 4.06 -1.30 -3.18 115.95 111.78 1tz8 h TRP 79 Ca -0.06 -0.22 -0.04 0.00 2.06 0.00 0.00 58.89 60.63 1tz8 h TRP 79 Cb 0.47 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 1tz8 h TRP 79 CO -0.06 1.00 0.04 0.87 -3.56 0.00 0.00 178.44 176.73 1tz8 h LYS 80 N 0.75 0.52 0.00 0.49 1.57 -1.13 -0.75 116.57 118.03 1tz8 h LYS 80 Ca 0.12 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1tz8 h LYS 80 Cb 0.67 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1tz8 h LYS 80 CO 0.05 0.52 -0.08 0.00 -0.57 0.00 0.00 179.45 179.37 1tz8 h ALA 81 N 1.54 1.18 -0.04 3.86 0.00 -1.39 -0.21 119.26 124.19 1tz8 h ALA 81 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1tz8 h ALA 81 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tz8 h ALA 81 CO 0.00 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1tz8 n LEU 82 N -3.43 1.37 0.00 0.00 4.77 -0.38 -4.92 117.00 114.40 1tz8 n LEU 82 Ca -0.02 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1tz8 n LEU 82 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1tz8 n LEU 82 CO 0.28 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1tz8 n GLY 83 N 1.15 0.74 3.87 -0.72 0.00 -0.09 -5.06 105.19 105.08 1tz8 n GLY 83 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1tz8 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tz8 s ILE 84 N -2.26 5.40 -0.47 -0.61 1.01 -0.62 -4.99 121.20 118.67 1tz8 s ILE 84 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.84 1tz8 s ILE 84 Cb 0.00 -3.47 0.07 0.00 0.01 0.00 0.00 42.46 39.07 1tz8 s ILE 84 CO 0.00 0.60 0.40 -0.55 0.00 0.00 0.00 174.94 175.39 1tz8 s SER 85 N -1.06 6.15 0.69 3.58 0.15 -1.26 -3.05 113.70 118.91 1tz8 s SER 85 Ca 0.17 -1.27 -0.03 0.00 0.70 0.00 0.00 55.95 55.52 1tz8 s SER 85 Cb -0.13 -2.19 0.09 0.00 -1.71 0.00 0.00 66.02 62.08 1tz8 s SER 85 CO 0.06 -0.64 0.97 -2.16 1.20 0.00 0.00 173.24 172.67 1tz8 s PRO 86 N 1.69 1.95 -0.15 5.44 0.04 -1.26 -5.00 135.00 137.72 1tz8 s PRO 86 Ca 0.05 -0.73 -0.27 0.00 0.04 0.00 0.00 61.00 60.09 1tz8 s PRO 86 Cb -0.24 -2.28 -0.25 0.00 0.04 0.00 0.00 34.50 31.77 1tz8 s PRO 86 CO 0.07 -1.29 0.66 0.35 0.04 0.00 0.00 177.00 176.84 1tz8 h PHE 87 N -0.49 0.04 -3.66 0.56 3.57 -1.36 -3.47 116.94 112.13 1tz8 h PHE 87 Ca -0.41 -0.03 -0.50 0.00 3.53 0.00 0.00 57.97 60.56 1tz8 h PHE 87 Cb 1.29 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 1tz8 h PHE 87 CO 0.01 1.13 0.22 -1.01 -2.23 0.00 0.00 178.31 176.42 1tz8 s HIS 88 N -2.27 3.76 0.33 0.41 3.76 -1.26 -4.96 115.29 115.06 1tz8 s HIS 88 Ca -0.21 1.62 0.14 0.00 -0.15 0.00 0.00 55.06 56.46 1tz8 s HIS 88 Cb -0.01 -2.78 0.71 0.00 1.11 0.00 0.00 32.58 31.61 1tz8 s HIS 88 CO 0.68 0.36 1.80 0.93 -0.85 0.00 0.00 174.74 177.66 1tz8 h GLU 89 N 3.66 0.00 -1.99 1.40 4.39 -1.99 -3.37 114.58 116.68 1tz8 h GLU 89 Ca -0.47 0.00 0.34 0.00 0.34 0.00 0.00 59.36 59.57 1tz8 h GLU 89 Cb 1.20 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 1tz8 h GLU 89 CO 0.66 0.40 0.90 -3.38 -1.16 0.00 0.00 179.01 176.42 1tz8 s HIS 90 N -4.01 0.01 -0.04 4.33 -3.43 -1.26 -4.10 115.29 106.79 1tz8 s HIS 90 Ca -0.02 -0.12 0.05 0.00 -0.80 0.00 0.00 55.06 54.16 1tz8 s HIS 90 Cb 0.14 0.56 -0.01 0.00 -1.43 0.00 0.00 32.58 31.84 1tz8 s HIS 90 CO 0.72 -0.26 -0.18 0.00 -2.00 0.00 0.00 174.74 173.01 1tz8 s ALA 91 N -2.08 1.61 0.10 -1.38 0.00 -0.66 -4.88 121.76 114.47 1tz8 s ALA 91 Ca 0.27 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.56 1tz8 s ALA 91 Cb 0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1tz8 s ALA 91 CO -0.01 0.31 -0.21 -1.21 0.00 0.00 0.00 175.76 174.63 1tz8 s GLU 92 N -0.05 1.16 -0.09 0.00 0.41 -1.26 -0.04 118.70 118.83 1tz8 s GLU 92 Ca -0.02 -1.17 -0.01 0.00 -0.41 0.00 0.00 54.97 53.36 1tz8 s GLU 92 Cb -0.11 -1.44 0.03 0.00 -1.78 0.00 0.00 34.13 30.83 1tz8 s GLU 92 CO 0.02 0.34 -0.03 0.08 -0.49 0.00 0.00 175.26 175.18 1tz8 s VAL 93 N -1.14 0.62 -0.12 2.63 1.01 -0.30 -4.99 120.40 118.12 1tz8 s VAL 93 Ca 0.07 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1tz8 s VAL 93 Cb -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1tz8 s VAL 93 CO 0.04 0.30 -0.23 -0.69 0.00 0.00 0.00 175.10 174.52 1tz8 s VAL 94 N 1.84 2.05 -0.03 2.92 1.01 -1.26 -0.40 120.40 126.52 1tz8 s VAL 94 Ca 0.04 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 1tz8 s VAL 94 Cb -0.12 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 34.53 1tz8 s VAL 94 CO -0.06 0.55 0.57 0.72 0.00 0.00 0.00 175.10 176.88 1tz8 s PHE 95 N 0.53 -0.52 0.01 5.22 -0.71 -0.63 -4.99 117.98 116.90 1tz8 s PHE 95 Ca -0.14 0.85 -0.28 0.00 -1.04 0.00 0.00 56.93 56.32 1tz8 s PHE 95 Cb -0.17 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 1tz8 s PHE 95 CO 0.05 -0.56 0.87 0.99 -1.34 0.00 0.00 175.22 175.23 1tz8 s THR 96 N -1.36 4.83 0.02 -4.49 2.01 -1.26 -0.66 115.64 114.72 1tz8 s THR 96 Ca -0.11 1.84 0.06 0.00 0.31 0.00 0.00 61.69 63.79 1tz8 s THR 96 Cb -0.01 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1tz8 s THR 96 CO 0.07 0.24 -0.16 0.00 -0.69 0.00 0.00 174.62 174.08 1tz8 s ALA 97 N 0.60 2.64 -1.46 7.40 0.00 0.19 -4.67 121.76 126.46 1tz8 s ALA 97 Ca 0.45 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 1tz8 s ALA 97 Cb -0.21 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.16 1tz8 s ALA 97 CO 0.25 0.57 1.00 0.09 0.00 0.00 0.00 175.76 177.67 1tz8 n ASN 98 N 1.68 -5.48 0.12 0.00 3.02 -1.26 -2.20 115.26 111.15 1tz8 n ASN 98 Ca -0.16 -0.62 -0.11 0.00 -0.03 0.00 0.00 54.58 53.65 1tz8 n ASN 98 Cb 0.52 -4.35 -0.07 0.00 -0.61 0.00 0.00 39.78 35.26 1tz8 n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1tz8 h ASP 99 N -2.19 -0.30 -1.52 6.41 -0.00 -1.92 -3.31 116.42 113.58 1tz8 h ASP 99 Ca -0.56 -0.22 -0.69 0.00 -0.00 0.00 0.00 57.03 55.55 1tz8 h ASP 99 Cb 1.37 0.08 -0.26 0.00 -0.00 0.00 0.00 39.33 40.52 1tz8 h ASP 99 CO 0.62 0.16 0.90 -0.24 -0.00 0.00 0.00 179.24 180.68 1tz8 n SER 100 N -5.04 7.41 0.00 2.28 2.88 -1.26 -4.98 113.62 114.90 1tz8 n SER 100 Ca -0.08 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 53.75 1tz8 n SER 100 Cb 0.26 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1tz8 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tz8 n GLY 101 N -0.43 0.30 3.77 0.46 0.00 -1.25 -4.99 105.19 103.05 1tz8 n GLY 101 Ca 0.55 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1tz8 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tz8 s PRO 102 N -2.70 3.88 0.15 1.61 0.04 -1.26 -4.32 135.00 132.40 1tz8 s PRO 102 Ca 0.00 2.33 -0.00 0.00 0.04 0.00 0.00 61.00 63.36 1tz8 s PRO 102 Cb 0.00 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1tz8 s PRO 102 CO 0.00 -0.63 0.05 1.03 0.04 0.00 0.00 177.00 177.49 1tz8 s ARG 103 N -2.29 1.02 -0.21 4.56 1.81 -1.26 -4.84 118.95 117.72 1tz8 s ARG 103 Ca 0.58 -1.49 -0.10 0.00 -1.72 0.00 0.00 55.73 52.99 1tz8 s ARG 103 Cb -0.42 0.08 -0.05 0.00 -0.45 0.00 0.00 34.95 34.11 1tz8 s ARG 103 CO 0.54 -0.23 0.16 0.50 -0.68 0.00 0.00 175.30 175.58 1tz8 s ARG 104 N -4.02 4.15 -0.14 3.54 3.00 0.15 -4.77 118.95 120.86 1tz8 s ARG 104 Ca 0.26 -0.22 -0.01 0.00 -1.00 0.00 0.00 55.73 54.76 1tz8 s ARG 104 Cb 0.07 -3.47 -0.02 0.00 0.00 0.00 0.00 34.95 31.53 1tz8 s ARG 104 CO 0.04 0.20 -0.09 0.71 0.00 0.00 0.00 175.30 176.15 1tz8 s TYR 105 N 0.66 2.89 -0.20 5.12 1.51 0.14 -1.29 117.35 126.18 1tz8 s TYR 105 Ca 0.08 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.63 1tz8 s TYR 105 Cb -0.12 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1tz8 s TYR 105 CO 0.01 -0.14 -0.12 0.99 -1.11 0.00 0.00 175.55 175.19 1tz8 s THR 106 N 0.34 2.78 -0.37 -0.71 2.01 0.13 -0.96 115.64 118.86 1tz8 s THR 106 Ca -0.08 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 1tz8 s THR 106 Cb -0.15 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1tz8 s THR 106 CO 0.05 0.48 0.25 -0.63 -0.69 0.00 0.00 174.62 174.07 1tz8 s ILE 107 N 1.33 5.06 -0.09 1.82 -1.09 0.48 -1.01 121.20 127.70 1tz8 s ILE 107 Ca 0.04 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1tz8 s ILE 107 Cb -0.14 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1tz8 s ILE 107 CO -0.07 -0.15 -0.03 0.00 -1.23 0.00 0.00 174.94 173.46 1tz8 s ALA 108 N 1.66 3.12 -0.04 9.38 0.00 -0.39 -0.69 121.76 134.79 1tz8 s ALA 108 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1tz8 s ALA 108 Cb -0.18 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.56 1tz8 s ALA 108 CO 0.09 0.51 -0.03 0.00 0.00 0.00 0.00 175.76 176.34 1tz8 s ALA 109 N -0.63 0.58 -0.20 0.00 0.00 -0.17 -1.02 121.76 120.33 1tz8 s ALA 109 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1tz8 s ALA 109 Cb -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1tz8 s ALA 109 CO 0.02 -0.07 0.04 -1.17 0.00 0.00 0.00 175.76 174.58 1tz8 s LEU 110 N 1.03 3.54 -0.09 0.00 2.96 0.44 -1.28 118.68 125.29 1tz8 s LEU 110 Ca -0.09 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1tz8 s LEU 110 Cb -0.14 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1tz8 s LEU 110 CO -0.01 0.09 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.25 1tz8 s LEU 111 N 0.86 2.92 0.16 -0.68 1.43 -0.05 -1.59 118.68 121.73 1tz8 s LEU 111 Ca 0.03 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1tz8 s LEU 111 Cb -0.14 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1tz8 s LEU 111 CO 0.02 0.28 -0.07 -0.44 0.23 0.00 0.00 176.35 176.37 1tz8 s SER 112 N -0.35 1.69 0.34 2.29 0.01 -0.05 -0.80 113.70 116.83 1tz8 s SER 112 Ca 0.04 -1.06 0.12 0.00 1.31 0.00 0.00 55.95 56.36 1tz8 s SER 112 Cb -0.12 0.01 0.92 0.00 0.21 0.00 0.00 66.02 67.04 1tz8 s SER 112 CO 0.02 -0.40 1.76 -0.65 0.41 0.00 0.00 173.24 174.38 1tz8 h PRO 113 N 2.74 0.55 -0.10 12.44 0.11 -1.99 -2.47 132.00 143.27 1tz8 h PRO 113 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1tz8 h PRO 113 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1tz8 h PRO 113 CO 0.64 0.36 0.00 0.66 -0.21 0.00 0.00 178.00 179.45 1tz8 n TYR 114 N -4.77 0.35 -3.62 0.65 4.02 -1.26 -0.87 117.16 111.67 1tz8 n TYR 114 Ca 0.25 -0.91 -0.15 0.00 -0.01 0.00 0.00 57.90 57.08 1tz8 n TYR 114 Cb 0.74 -0.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.79 1tz8 n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1tz8 s SER 115 N -2.38 -0.62 0.02 7.72 1.04 -0.93 -4.95 113.70 113.60 1tz8 s SER 115 Ca 0.34 0.98 -0.09 0.00 0.48 0.00 0.00 55.95 57.66 1tz8 s SER 115 Cb 0.28 0.94 0.00 0.00 0.10 0.00 0.00 66.02 67.35 1tz8 s SER 115 CO 0.05 -0.38 0.17 -0.72 0.98 0.00 0.00 173.24 173.34 1tz8 s TYR 116 N -0.37 0.04 -0.06 5.02 -0.85 -1.26 -0.87 117.35 119.01 1tz8 s TYR 116 Ca -0.05 -0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1tz8 s TYR 116 Cb -0.03 -0.04 0.02 0.00 0.38 0.00 0.00 41.96 42.29 1tz8 s TYR 116 CO 0.05 -0.35 -0.04 0.45 -1.52 0.00 0.00 175.55 174.13 1tz8 s SER 117 N -1.68 1.22 0.04 -0.18 0.15 -0.62 -4.99 113.70 107.64 1tz8 s SER 117 Ca -0.11 -0.14 0.07 0.00 0.70 0.00 0.00 55.95 56.47 1tz8 s SER 117 Cb -0.05 -0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 63.75 1tz8 s SER 117 CO -0.00 -0.09 -0.19 0.28 1.20 0.00 0.00 173.24 174.44 1tz8 s THR 118 N 1.20 1.50 0.08 6.45 -1.32 -1.26 -0.42 115.64 121.87 1tz8 s THR 118 Ca -0.07 -1.12 0.01 0.00 -1.21 0.00 0.00 61.69 59.31 1tz8 s THR 118 Cb -0.14 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 1tz8 s THR 118 CO -0.02 0.16 -0.06 0.28 -2.21 0.00 0.00 174.62 172.77 1tz8 s THR 119 N -0.80 0.60 -0.10 5.08 -1.32 -0.19 -4.99 115.64 113.91 1tz8 s THR 119 Ca 0.06 -1.73 0.01 0.00 -1.21 0.00 0.00 61.69 58.81 1tz8 s THR 119 Cb -0.08 -1.43 -0.02 0.00 -1.51 0.00 0.00 72.50 69.46 1tz8 s THR 119 CO 0.02 -0.79 -0.12 0.00 -2.21 0.00 0.00 174.62 171.51 1tz8 s ALA 120 N -3.18 2.68 -0.28 11.08 0.00 -1.26 -1.27 121.76 129.53 1tz8 s ALA 120 Ca 0.06 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 1tz8 s ALA 120 Cb 0.02 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1tz8 s ALA 120 CO -0.04 0.36 0.10 0.08 0.00 0.00 0.00 175.76 176.25 1tz8 s VAL 121 N -0.03 4.30 -0.18 0.00 1.01 -0.18 -4.97 120.40 120.34 1tz8 s VAL 121 Ca -0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1tz8 s VAL 121 Cb -0.14 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1tz8 s VAL 121 CO 0.04 0.18 -0.15 -0.69 0.00 0.00 0.00 175.10 174.48 1tz8 s VAL 122 N 1.58 2.54 0.30 2.92 1.01 -1.26 -0.70 120.40 126.79 1tz8 s VAL 122 Ca 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1tz8 s VAL 122 Cb -0.16 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1tz8 s VAL 122 CO 0.04 0.50 0.08 0.42 0.00 0.00 0.00 175.10 176.14 1tz8 s THR 123 N 1.23 0.87 -2.00 3.92 -4.23 -0.42 -4.97 115.64 110.04 1tz8 s THR 123 Ca 0.03 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.77 1tz8 s THR 123 Cb -0.14 -2.71 0.65 0.00 1.34 0.00 0.00 72.50 71.65 1tz8 s THR 123 CO -0.07 0.00 1.74 0.59 -0.54 0.00 0.00 174.62 176.34