#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tz8 h PRO 11 N 0.00 0.00 -4.40 0.00 0.13 -1.86 -3.42 132.00 122.45 1tz8 h PRO 11 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1tz8 h PRO 11 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 1tz8 h PRO 11 CO 0.00 0.38 -0.81 -1.17 -0.23 0.00 0.00 178.00 176.17 1tz8 s LEU 12 N -8.10 1.42 -0.02 1.56 2.96 -1.26 0.02 118.68 115.26 1tz8 s LEU 12 Ca -0.03 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1tz8 s LEU 12 Cb 0.14 -0.87 -0.00 0.00 0.50 0.00 0.00 46.19 45.97 1tz8 s LEU 12 CO 0.72 -0.05 -0.08 -0.32 -1.32 0.00 0.00 176.35 175.30 1tz8 s MET 13 N 1.26 0.80 -0.14 1.98 -2.45 0.82 -4.43 119.30 117.13 1tz8 s MET 13 Ca -0.03 -0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.13 1tz8 s MET 13 Cb -0.14 -0.76 -0.00 0.00 1.25 0.00 0.00 34.83 35.17 1tz8 s MET 13 CO -0.03 0.14 -0.17 0.08 1.05 0.00 0.00 175.02 176.08 1tz8 s VAL 14 N 0.04 2.62 -0.09 10.11 1.01 -0.89 -0.18 120.40 133.02 1tz8 s VAL 14 Ca -0.00 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1tz8 s VAL 14 Cb -0.06 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1tz8 s VAL 14 CO 0.00 0.53 -0.19 -0.75 0.00 0.00 0.00 175.10 174.69 1tz8 s LYS 15 N 0.63 2.44 -0.09 2.72 2.20 -0.14 -0.50 119.74 126.99 1tz8 s LYS 15 Ca -0.09 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1tz8 s LYS 15 Cb -0.16 -1.90 0.02 0.00 -1.51 0.00 0.00 37.83 34.28 1tz8 s LYS 15 CO 0.03 0.11 -0.12 0.08 -0.36 0.00 0.00 175.35 175.08 1tz8 s VAL 16 N 0.50 1.22 0.25 4.02 1.01 0.41 -0.61 120.40 127.20 1tz8 s VAL 16 Ca -0.17 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.44 1tz8 s VAL 16 Cb -0.17 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1tz8 s VAL 16 CO 0.06 0.39 -0.10 -0.76 0.00 0.00 0.00 175.10 174.69 1tz8 s LEU 17 N 1.08 2.90 -0.25 3.92 1.43 -0.27 -1.03 118.68 126.45 1tz8 s LEU 17 Ca -0.06 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1tz8 s LEU 17 Cb -0.15 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1tz8 s LEU 17 CO -0.02 0.04 -0.02 -0.62 0.23 0.00 0.00 176.35 175.96 1tz8 s ASP 18 N -3.38 4.50 0.01 2.29 -1.08 0.57 -0.78 116.67 118.80 1tz8 s ASP 18 Ca 0.29 -0.74 0.28 0.00 -0.52 0.00 0.00 52.55 51.86 1tz8 s ASP 18 Cb -0.07 -1.73 0.97 0.00 -1.46 0.00 0.00 42.92 40.64 1tz8 s ASP 18 CO 0.17 -0.12 1.75 0.00 0.52 0.00 0.00 175.17 177.48 1tz8 n ALA 19 N 4.74 2.73 0.08 3.66 0.00 -0.09 -1.13 120.51 130.50 1tz8 n ALA 19 Ca -0.16 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 1tz8 n ALA 19 Cb 0.48 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 1tz8 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tz8 h VAL 20 N 0.00 0.97 0.00 0.00 2.07 -1.95 -3.38 116.25 113.96 1tz8 h VAL 20 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1tz8 h VAL 20 Cb 0.51 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1tz8 h VAL 20 CO 0.00 0.86 -1.67 0.54 0.02 0.00 0.00 177.57 177.32 1tz8 n ARG 21 N -3.61 0.59 -2.86 1.57 1.74 -1.24 -5.01 116.66 107.85 1tz8 n ARG 21 Ca -0.24 -0.14 -0.10 0.00 -0.77 0.00 0.00 57.85 56.60 1tz8 n ARG 21 Cb 1.08 -1.46 0.04 0.00 -1.02 0.00 0.00 32.46 31.10 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 1.38 0.10 3.36 -0.13 0.00 -0.29 -5.04 105.19 104.57 1tz8 n GLY 22 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.49 0.31 0.64 1.61 1.04 -1.10 -5.01 113.70 107.70 1tz8 s SER 23 Ca 0.12 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 55.07 1tz8 s SER 23 Cb -0.05 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1tz8 s SER 23 CO 0.37 -1.01 1.29 -0.81 0.98 0.00 0.00 173.24 174.07 1tz8 n PRO 24 N -0.37 1.18 -3.17 4.02 -0.04 -1.26 -0.31 135.00 135.05 1tz8 n PRO 24 Ca 0.01 0.46 -0.44 0.00 -0.04 0.00 0.00 63.50 63.50 1tz8 n PRO 24 Cb 0.64 -2.53 -0.07 0.00 -0.04 0.00 0.00 33.50 31.50 1tz8 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tz8 s ALA 25 N -1.37 3.38 -0.01 0.55 0.00 -0.20 -4.57 121.76 119.54 1tz8 s ALA 25 Ca 0.81 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1tz8 s ALA 25 Cb -0.39 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 1tz8 s ALA 25 CO 0.41 -1.93 0.35 0.42 0.00 0.00 0.00 175.76 175.02 1tz8 s ILE 26 N 2.61 5.13 -0.91 0.00 1.01 -1.26 -4.20 121.20 123.57 1tz8 s ILE 26 Ca 0.16 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1tz8 s ILE 26 Cb -0.18 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1tz8 s ILE 26 CO 0.13 0.55 0.00 0.59 0.00 0.00 0.00 174.94 176.21 1tz8 n ASN 27 N 1.71 -3.55 -4.70 3.58 3.02 -0.62 -4.94 115.26 109.76 1tz8 n ASN 27 Ca -0.14 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 1tz8 n ASN 27 Cb 0.53 -2.68 -0.04 0.00 -0.61 0.00 0.00 39.78 36.98 1tz8 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tz8 s VAL 28 N -2.50 4.95 0.22 2.41 1.01 -1.26 -4.69 120.40 120.55 1tz8 s VAL 28 Ca 0.00 1.67 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1tz8 s VAL 28 Cb 0.00 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1tz8 s VAL 28 CO 0.00 0.16 1.25 0.00 0.00 0.00 0.00 175.10 176.50 1tz8 s ALA 29 N 1.28 3.48 -0.08 5.51 0.00 -1.26 -1.03 121.76 129.66 1tz8 s ALA 29 Ca 0.42 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.44 1tz8 s ALA 29 Cb -0.18 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1tz8 s ALA 29 CO 0.19 -0.45 -0.07 0.08 0.00 0.00 0.00 175.76 175.51 1tz8 s VAL 30 N -0.29 0.83 -0.11 0.00 1.01 -0.11 -1.25 120.40 120.48 1tz8 s VAL 30 Ca 0.53 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1tz8 s VAL 30 Cb -0.35 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1tz8 s VAL 30 CO 0.40 0.31 -0.13 -1.00 0.00 0.00 0.00 175.10 174.68 1tz8 s HIS 31 N 1.28 2.79 -0.05 5.22 3.76 -0.33 -1.69 115.29 126.26 1tz8 s HIS 31 Ca -0.04 -0.52 0.04 0.00 -0.15 0.00 0.00 55.06 54.38 1tz8 s HIS 31 Cb -0.14 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 1tz8 s HIS 31 CO -0.03 -0.11 -0.15 0.08 -0.85 0.00 0.00 174.74 173.68 1tz8 s VAL 32 N 0.09 3.01 0.13 -0.90 1.01 0.38 0.18 120.40 124.29 1tz8 s VAL 32 Ca -0.06 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1tz8 s VAL 32 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1tz8 s VAL 32 CO 0.04 0.59 -0.13 -0.36 0.00 0.00 0.00 175.10 175.24 1tz8 s PHE 33 N -0.72 1.37 -0.05 5.22 0.40 0.11 -0.30 117.98 124.00 1tz8 s PHE 33 Ca 0.11 -0.58 0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1tz8 s PHE 33 Cb -0.11 -0.71 -0.00 0.00 0.51 0.00 0.00 43.02 42.71 1tz8 s PHE 33 CO 0.00 0.14 -0.18 0.50 0.70 0.00 0.00 175.22 176.38 1tz8 s ARG 34 N -2.82 1.97 0.16 0.44 3.52 -0.20 -0.50 118.95 121.52 1tz8 s ARG 34 Ca 0.10 -0.64 -0.32 0.00 -0.13 0.00 0.00 55.73 54.75 1tz8 s ARG 34 Cb -0.04 -1.66 -0.10 0.00 -1.56 0.00 0.00 34.95 31.58 1tz8 s ARG 34 CO 0.03 0.22 1.64 0.21 -0.81 0.00 0.00 175.30 176.59 1tz8 s LYS 35 N 0.13 4.18 0.54 5.12 2.20 -0.08 -0.68 119.74 131.15 1tz8 s LYS 35 Ca -0.07 2.44 -0.03 0.00 -0.36 0.00 0.00 55.97 57.95 1tz8 s LYS 35 Cb -0.13 -3.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1tz8 s LYS 35 CO 0.03 -0.68 0.80 0.00 -0.36 0.00 0.00 175.35 175.15 1tz8 s ALA 36 N 1.47 3.54 0.32 3.13 0.00 0.25 -4.78 121.76 125.69 1tz8 s ALA 36 Ca 0.73 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.82 1tz8 s ALA 36 Cb -0.45 -2.36 0.71 0.00 0.00 0.00 0.00 23.12 21.02 1tz8 s ALA 36 CO 0.32 -0.65 1.85 0.00 0.00 0.00 0.00 175.76 177.27 1tz8 h ALA 37 N 0.06 1.69 0.00 0.00 0.00 -1.95 0.35 119.26 119.42 1tz8 h ALA 37 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1tz8 h ALA 37 Cb 1.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1tz8 h ALA 37 CO 0.58 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1tz8 n ASP 38 N -4.60 0.35 -1.31 0.00 5.75 -1.26 -4.81 116.55 110.67 1tz8 n ASP 38 Ca 0.19 -1.83 -0.17 0.00 -0.01 0.00 0.00 54.79 52.97 1tz8 n ASP 38 Cb 0.44 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.28 1tz8 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1tz8 n ASP 39 N -0.29 -4.99 -4.91 -1.12 8.00 0.12 -5.00 116.55 108.36 1tz8 n ASP 39 Ca 0.00 0.38 -0.27 0.00 0.71 0.00 0.00 54.79 55.61 1tz8 n ASP 39 Cb 0.09 -3.96 -0.02 0.00 -0.02 0.00 0.00 41.12 37.21 1tz8 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1tz8 s THR 40 N -2.63 4.98 -0.46 -3.53 -4.23 -1.25 -4.79 115.64 103.72 1tz8 s THR 40 Ca 0.00 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.35 1tz8 s THR 40 Cb 0.00 -3.80 0.03 0.00 1.34 0.00 0.00 72.50 70.07 1tz8 s THR 40 CO 0.00 -0.57 0.68 0.26 -0.54 0.00 0.00 174.62 174.45 1tz8 s TRP 41 N -2.38 3.03 -0.16 3.99 0.52 -1.26 0.86 118.94 123.53 1tz8 s TRP 41 Ca 0.45 -0.14 -0.21 0.00 0.02 0.00 0.00 56.10 56.22 1tz8 s TRP 41 Cb -0.10 -3.47 -0.03 0.00 -1.15 0.00 0.00 33.47 28.72 1tz8 s TRP 41 CO 0.36 -0.96 0.62 -1.83 0.02 0.00 0.00 176.95 175.17 1tz8 s GLU 42 N 2.92 4.27 -0.09 4.98 1.03 0.15 -4.87 118.70 127.08 1tz8 s GLU 42 Ca 0.22 0.64 -0.38 0.00 0.03 0.00 0.00 54.97 55.49 1tz8 s GLU 42 Cb -0.15 -3.54 -0.15 0.00 -0.80 0.00 0.00 34.13 29.49 1tz8 s GLU 42 CO 0.18 -0.13 1.62 -2.30 -1.33 0.00 0.00 175.26 173.29 1tz8 n PRO 43 N 4.65 1.41 -0.05 -4.83 -0.02 -1.26 -1.03 135.00 133.86 1tz8 n PRO 43 Ca -0.02 0.51 -0.08 0.00 -2.02 0.00 0.00 63.50 61.90 1tz8 n PRO 43 Cb 0.50 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 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 4.47 0.00 -3.72 6.00 7.35 0.58 -4.83 117.46 127.32 1tz8 n PHE 44 Ca 0.22 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.87 1tz8 n PHE 44 Cb 0.19 -0.41 -0.01 0.00 0.35 0.00 0.00 39.48 39.59 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 -2.21 -1.67 -0.04 3.13 0.00 -0.92 -4.99 121.76 115.06 1tz8 s ALA 45 Ca -0.14 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 1tz8 s ALA 45 Cb 0.04 0.62 0.09 0.00 0.00 0.00 0.00 23.12 23.87 1tz8 s ALA 45 CO 0.24 -1.00 0.81 -1.54 0.00 0.00 0.00 175.76 174.27 1tz8 s SER 46 N -2.89 -0.49 0.00 0.00 1.04 -1.26 -0.47 113.70 109.64 1tz8 s SER 46 Ca 0.11 0.34 -0.16 0.00 0.48 0.00 0.00 55.95 56.71 1tz8 s SER 46 Cb -0.01 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.61 1tz8 s SER 46 CO 0.01 -0.60 0.74 0.61 0.98 0.00 0.00 173.24 174.98 1tz8 n GLY 47 N 0.36 0.45 3.04 7.32 0.00 -0.68 -5.02 105.19 110.66 1tz8 n GLY 47 Ca -0.14 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.01 0.69 0.59 1.61 1.02 -1.26 -0.93 119.74 119.45 1tz8 s LYS 48 Ca 0.17 -0.43 -0.19 0.00 0.02 0.00 0.00 55.97 55.54 1tz8 s LYS 48 Cb -0.01 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 1tz8 s LYS 48 CO 0.00 0.17 1.23 0.95 -0.92 0.00 0.00 175.35 176.78 1tz8 s THR 49 N -0.46 2.53 0.38 2.17 -4.23 -0.20 -4.80 115.64 111.04 1tz8 s THR 49 Ca 0.01 0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1tz8 s THR 49 Cb -0.05 -3.14 0.09 0.00 1.34 0.00 0.00 72.50 70.74 1tz8 s THR 49 CO 0.00 -0.07 0.52 -1.54 -0.54 0.00 0.00 174.62 173.00 1tz8 n SER 50 N -1.55 0.13 0.24 3.99 3.41 -0.17 -1.59 113.62 118.09 1tz8 n SER 50 Ca 0.13 -1.24 0.17 0.00 -0.26 0.00 0.00 58.87 57.67 1tz8 n SER 50 Cb 0.49 -0.39 0.82 0.00 -0.26 0.00 0.00 64.21 64.88 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 -0.21 4.33 3.07 -1.94 -0.01 114.58 119.82 1tz8 h GLU 51 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1tz8 h GLU 51 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1tz8 h GLU 51 CO 0.13 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.61 1tz8 n SER 52 N -2.69 2.78 -0.02 1.42 3.41 -1.26 -4.79 113.62 112.47 1tz8 n SER 52 Ca -0.01 -1.89 -0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1tz8 n SER 52 Cb 0.12 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.36 0.46 3.55 5.00 0.00 -0.02 -4.77 105.19 110.78 1tz8 n GLY 53 Ca 0.17 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.86 2.10 -0.22 1.61 2.02 -1.26 -0.44 118.70 121.65 1tz8 s GLU 54 Ca 0.00 -1.02 -0.01 0.00 0.02 0.00 0.00 54.97 53.96 1tz8 s GLU 54 Cb 0.00 -2.28 0.07 0.00 0.10 0.00 0.00 34.13 32.02 1tz8 s GLU 54 CO 0.00 0.51 0.01 -1.17 0.02 0.00 0.00 175.26 174.64 1tz8 s LEU 55 N -2.05 1.82 0.36 1.80 2.96 0.34 -0.99 118.68 122.92 1tz8 s LEU 55 Ca 0.20 -1.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.13 1tz8 s LEU 55 Cb -0.11 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 1tz8 s LEU 55 CO 0.12 -0.30 0.22 -1.00 -1.32 0.00 0.00 176.35 174.07 1tz8 s HIS 56 N 1.66 2.74 -0.30 5.38 3.76 -1.26 -2.09 115.29 125.18 1tz8 s HIS 56 Ca -0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 1tz8 s HIS 56 Cb -0.18 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1tz8 s HIS 56 CO -0.09 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 1tz8 n GLY 57 N -1.27 0.46 0.18 -2.22 0.00 -1.26 -4.93 105.19 96.14 1tz8 n GLY 57 Ca -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 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 0.27 -8.09 0.99 3.38 -1.86 -3.48 115.31 106.52 1tz8 h LEU 58 Ca -0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1tz8 h LEU 58 Cb 0.56 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1tz8 h LEU 58 CO 0.09 0.77 0.17 0.28 0.09 0.00 0.00 178.44 179.84 1tz8 s THR 59 N -3.85 0.00 0.36 0.22 -1.32 -1.26 -4.84 115.64 104.95 1tz8 s THR 59 Ca -0.04 -1.12 0.09 0.00 -1.21 0.00 0.00 61.69 59.41 1tz8 s THR 59 Cb 0.12 -2.63 -0.06 0.00 -1.51 0.00 0.00 72.50 68.43 1tz8 s THR 59 CO 0.79 0.00 0.02 0.42 -2.21 0.00 0.00 174.62 173.64 1tz8 s THR 60 N -2.85 2.48 0.25 5.08 -4.23 -1.26 -4.66 115.64 110.45 1tz8 s THR 60 Ca 0.17 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.67 1tz8 s THR 60 Cb -0.04 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.20 1tz8 s THR 60 CO 0.12 -0.16 1.83 -0.08 -0.54 0.00 0.00 174.62 175.79 1tz8 h GLU 61 N 1.79 0.87 -0.03 3.99 4.57 -1.99 0.30 114.58 124.07 1tz8 h GLU 61 Ca -0.43 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 57.50 1tz8 h GLU 61 Cb 1.25 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1tz8 h GLU 61 CO 0.69 0.57 -0.83 1.05 -1.18 0.00 0.00 179.01 179.32 1tz8 h GLU 62 N 0.89 0.36 0.00 1.92 9.09 -2.04 -3.06 114.58 121.74 1tz8 h GLU 62 Ca 0.40 -0.34 -0.11 0.00 0.05 0.00 0.00 59.36 59.36 1tz8 h GLU 62 Cb 0.30 0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.47 1tz8 h GLU 62 CO -0.22 1.01 -0.52 0.93 0.05 0.00 0.00 179.01 180.25 1tz8 h GLU 63 N 0.22 0.00 -4.28 1.06 5.08 -1.86 -3.38 114.58 111.42 1tz8 h GLU 63 Ca -0.05 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.59 1tz8 h GLU 63 Cb 1.43 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.58 1tz8 h GLU 63 CO 0.14 0.52 2.35 0.34 -1.00 0.00 0.00 179.01 181.36 1tz8 n PHE 64 N -3.38 3.76 -1.98 4.33 7.35 0.06 -4.91 117.46 122.69 1tz8 n PHE 64 Ca 0.01 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.46 1tz8 n PHE 64 Cb 0.67 -2.32 0.06 0.00 0.35 0.00 0.00 39.48 38.24 1tz8 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tz8 s VAL 65 N 2.23 2.79 0.33 -2.13 -7.23 -1.26 -4.89 120.40 110.24 1tz8 s VAL 65 Ca 0.45 0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 60.52 1tz8 s VAL 65 Cb 0.08 -3.23 -0.14 0.00 0.56 0.00 0.00 36.38 33.65 1tz8 s VAL 65 CO -0.02 -0.30 0.77 1.21 -0.31 0.00 0.00 175.10 176.46 1tz8 n GLU 66 N -3.07 0.87 -3.86 4.82 2.13 -1.25 -4.77 120.64 115.50 1tz8 n GLU 66 Ca 0.07 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1tz8 n GLU 66 Cb 0.59 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.69 1tz8 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tz8 n GLY 67 N 1.53 -2.53 3.51 8.31 0.00 -0.97 -5.00 105.19 110.05 1tz8 n GLY 67 Ca 0.12 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.12 4.41 0.10 -0.61 1.01 -1.26 -0.86 121.20 121.86 1tz8 s ILE 68 Ca 0.00 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.58 1tz8 s ILE 68 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1tz8 s ILE 68 CO 0.00 0.40 -0.17 -0.31 0.00 0.00 0.00 174.94 174.86 1tz8 s TYR 69 N 1.03 2.57 -0.13 3.97 1.51 0.03 -0.91 117.35 125.43 1tz8 s TYR 69 Ca 0.04 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1tz8 s TYR 69 Cb -0.14 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 1tz8 s TYR 69 CO 0.03 0.36 -0.18 0.21 -1.11 0.00 0.00 175.55 174.86 1tz8 s LYS 70 N -1.99 2.64 -0.33 -0.62 2.20 0.35 -1.39 119.74 120.59 1tz8 s LYS 70 Ca 0.18 -0.71 -0.10 0.00 -0.36 0.00 0.00 55.97 54.98 1tz8 s LYS 70 Cb -0.11 -2.21 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1tz8 s LYS 70 CO 0.10 -0.08 0.16 0.08 -0.36 0.00 0.00 175.35 175.24 1tz8 s VAL 71 N 1.01 4.48 -0.25 4.02 1.01 0.11 0.05 120.40 130.83 1tz8 s VAL 71 Ca -0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1tz8 s VAL 71 Cb -0.15 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1tz8 s VAL 71 CO -0.04 -0.04 0.07 -0.70 0.00 0.00 0.00 175.10 174.39 1tz8 s GLU 72 N 1.57 3.65 -0.23 2.72 2.12 0.13 -1.04 118.70 127.63 1tz8 s GLU 72 Ca 0.03 -0.48 -0.08 0.00 0.36 0.00 0.00 54.97 54.81 1tz8 s GLU 72 Cb -0.18 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1tz8 s GLU 72 CO 0.06 -0.19 0.08 0.42 -0.54 0.00 0.00 175.26 175.09 1tz8 s ILE 73 N 1.62 4.60 -1.39 -3.70 1.01 0.18 -1.19 121.20 122.32 1tz8 s ILE 73 Ca 0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 1tz8 s ILE 73 Cb -0.15 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.26 1tz8 s ILE 73 CO 0.04 0.37 2.02 -0.67 0.00 0.00 0.00 174.94 176.70 1tz8 n ASP 74 N 4.44 4.35 0.07 3.58 2.03 -0.38 -1.29 116.55 129.35 1tz8 n ASP 74 Ca -0.16 -2.90 -0.02 0.00 0.52 0.00 0.00 54.79 52.23 1tz8 n ASP 74 Cb 0.52 -1.66 0.23 0.00 -0.72 0.00 0.00 41.12 39.48 1tz8 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tz8 h THR 75 N 4.45 1.28 -0.15 5.18 1.35 -1.87 -3.10 112.91 120.06 1tz8 h THR 75 Ca 0.51 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 1tz8 h THR 75 Cb 0.71 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1tz8 h THR 75 CO 1.71 0.42 0.05 0.50 -0.25 0.00 0.00 175.52 177.96 1tz8 h LYS 76 N 0.28 0.23 -0.73 4.72 3.64 -1.75 -1.82 116.57 121.14 1tz8 h LYS 76 Ca 0.03 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1tz8 h LYS 76 Cb 0.73 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1tz8 h LYS 76 CO 0.06 0.33 0.38 0.77 -2.27 0.00 0.00 179.45 178.72 1tz8 h SER 77 N 0.08 0.91 0.17 4.20 0.02 -1.88 -0.39 113.55 116.67 1tz8 h SER 77 Ca 0.05 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1tz8 h SER 77 Cb 0.19 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1tz8 h SER 77 CO -0.00 0.75 -0.20 0.22 -1.14 0.00 0.00 176.83 176.46 1tz8 h TYR 78 N 1.02 -0.52 -0.31 3.45 3.20 -1.42 -1.91 116.97 120.49 1tz8 h TYR 78 Ca 0.26 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 1tz8 h TYR 78 Cb 0.06 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1tz8 h TYR 78 CO 0.01 -0.29 -0.23 -1.49 -1.64 0.00 0.00 178.16 174.52 1tz8 h TRP 79 N -0.41 0.82 -0.55 -3.82 4.06 -1.08 -3.00 115.95 111.97 1tz8 h TRP 79 Ca 0.01 -0.23 0.03 0.00 2.06 0.00 0.00 58.89 60.76 1tz8 h TRP 79 Cb 0.40 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 1tz8 h TRP 79 CO -0.16 0.95 0.37 0.87 -3.56 0.00 0.00 178.44 176.91 1tz8 h LYS 80 N 0.45 0.64 0.00 0.49 1.57 -0.87 0.65 116.57 119.50 1tz8 h LYS 80 Ca 0.06 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1tz8 h LYS 80 Cb 0.78 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1tz8 h LYS 80 CO 0.06 0.43 -0.17 0.00 -0.57 0.00 0.00 179.45 179.20 1tz8 h ALA 81 N 1.67 1.33 -0.14 3.86 0.00 -1.20 -0.85 119.26 123.92 1tz8 h ALA 81 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1tz8 h ALA 81 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1tz8 h ALA 81 CO -0.06 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1tz8 n LEU 82 N -3.76 1.74 0.00 0.00 4.77 0.14 -4.92 117.00 114.97 1tz8 n LEU 82 Ca -0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1tz8 n LEU 82 Cb 0.27 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1tz8 n LEU 82 CO 0.32 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1tz8 n GLY 83 N 1.16 0.51 3.48 -0.72 0.00 -0.33 -5.05 105.19 104.24 1tz8 n GLY 83 Ca 0.17 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 3.36 -0.49 -0.61 1.01 -0.71 -5.00 121.20 116.76 1tz8 s ILE 84 Ca 0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 1tz8 s ILE 84 Cb 0.00 -2.39 0.06 0.00 0.01 0.00 0.00 42.46 40.14 1tz8 s ILE 84 CO 0.00 0.56 0.58 -0.55 0.00 0.00 0.00 174.94 175.53 1tz8 s SER 85 N -0.25 6.22 0.75 3.58 0.15 -1.26 -2.73 113.70 120.15 1tz8 s SER 85 Ca 0.02 -0.92 -0.07 0.00 0.70 0.00 0.00 55.95 55.68 1tz8 s SER 85 Cb -0.13 -2.27 0.09 0.00 -1.71 0.00 0.00 66.02 62.00 1tz8 s SER 85 CO 0.03 -0.83 1.06 -2.16 1.20 0.00 0.00 173.24 172.53 1tz8 s PRO 86 N 2.47 1.87 -0.04 5.44 0.04 -1.26 -5.01 135.00 138.51 1tz8 s PRO 86 Ca 0.14 -0.42 -0.22 0.00 0.04 0.00 0.00 61.00 60.54 1tz8 s PRO 86 Cb -0.19 -2.15 -0.30 0.00 0.04 0.00 0.00 34.50 31.90 1tz8 s PRO 86 CO 0.12 -1.45 0.93 0.35 0.04 0.00 0.00 177.00 176.98 1tz8 h PHE 87 N -0.74 0.56 -3.29 0.56 3.57 -1.38 -3.47 116.94 112.74 1tz8 h PHE 87 Ca -0.43 -0.39 -0.56 0.00 3.53 0.00 0.00 57.97 60.11 1tz8 h PHE 87 Cb 1.30 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 1tz8 h PHE 87 CO 0.02 1.29 -0.08 -1.01 -2.23 0.00 0.00 178.31 176.29 1tz8 s HIS 88 N -2.55 3.65 0.37 0.41 3.76 -1.26 -4.98 115.29 114.68 1tz8 s HIS 88 Ca -0.13 1.10 0.11 0.00 -0.15 0.00 0.00 55.06 55.98 1tz8 s HIS 88 Cb 0.01 -2.39 0.70 0.00 1.11 0.00 0.00 32.58 32.02 1tz8 s HIS 88 CO 0.83 0.47 1.84 0.93 -0.85 0.00 0.00 174.74 177.96 1tz8 h GLU 89 N 3.79 0.12 -1.90 1.40 4.39 -1.99 -3.38 114.58 117.01 1tz8 h GLU 89 Ca -0.49 -0.04 0.37 0.00 0.34 0.00 0.00 59.36 59.54 1tz8 h GLU 89 Cb 1.20 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.75 1tz8 h GLU 89 CO 0.65 0.41 0.95 -3.38 -1.16 0.00 0.00 179.01 176.48 1tz8 s HIS 90 N -4.37 0.01 -0.09 4.33 -3.43 -1.26 -4.04 115.29 106.43 1tz8 s HIS 90 Ca -0.04 -0.07 0.02 0.00 -0.80 0.00 0.00 55.06 54.16 1tz8 s HIS 90 Cb 0.15 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.84 1tz8 s HIS 90 CO 0.74 -0.15 -0.13 0.00 -2.00 0.00 0.00 174.74 173.20 1tz8 s ALA 91 N -2.05 1.44 0.04 -1.38 0.00 -0.41 -4.89 121.76 114.52 1tz8 s ALA 91 Ca 0.28 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1tz8 s ALA 91 Cb 0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1tz8 s ALA 91 CO -0.02 -0.04 -0.21 -1.21 0.00 0.00 0.00 175.76 174.28 1tz8 s GLU 92 N 0.95 1.98 -0.11 0.00 2.02 -1.26 0.47 118.70 122.75 1tz8 s GLU 92 Ca -0.09 -1.02 -0.00 0.00 0.02 0.00 0.00 54.97 53.88 1tz8 s GLU 92 Cb -0.15 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 31.99 1tz8 s GLU 92 CO -0.00 0.53 -0.08 0.08 0.02 0.00 0.00 175.26 175.81 1tz8 s VAL 93 N -0.88 1.04 -0.12 2.63 1.01 -0.20 -4.98 120.40 118.91 1tz8 s VAL 93 Ca 0.13 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1tz8 s VAL 93 Cb -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1tz8 s VAL 93 CO 0.04 0.37 -0.19 -0.69 0.00 0.00 0.00 175.10 174.62 1tz8 s VAL 94 N 1.58 1.79 0.00 2.92 1.01 -1.26 0.07 120.40 126.51 1tz8 s VAL 94 Ca 0.03 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1tz8 s VAL 94 Cb -0.13 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.71 1tz8 s VAL 94 CO -0.07 0.50 0.48 0.72 0.00 0.00 0.00 175.10 176.73 1tz8 s PHE 95 N 0.78 -0.38 0.22 5.22 -0.71 -0.49 -5.00 117.98 117.63 1tz8 s PHE 95 Ca -0.10 0.53 -0.30 0.00 -1.04 0.00 0.00 56.93 56.03 1tz8 s PHE 95 Cb -0.16 0.26 -0.08 0.00 -1.21 0.00 0.00 43.02 41.83 1tz8 s PHE 95 CO 0.01 -0.55 1.04 0.99 -1.34 0.00 0.00 175.22 175.37 1tz8 s THR 96 N -1.82 3.86 0.08 -4.49 2.01 -1.26 -0.79 115.64 113.23 1tz8 s THR 96 Ca -0.09 1.75 0.06 0.00 0.31 0.00 0.00 61.69 63.72 1tz8 s THR 96 Cb -0.02 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1tz8 s THR 96 CO 0.03 0.37 -0.16 0.00 -0.69 0.00 0.00 174.62 174.17 1tz8 s ALA 97 N -0.77 1.33 -1.64 7.40 0.00 -0.04 -4.88 121.76 123.16 1tz8 s ALA 97 Ca 0.45 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1tz8 s ALA 97 Cb -0.29 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1tz8 s ALA 97 CO 0.36 0.22 0.26 0.09 0.00 0.00 0.00 175.76 176.68 1tz8 n ASN 98 N 1.25 -5.82 -0.81 0.00 3.02 -1.26 -2.30 115.26 109.34 1tz8 n ASN 98 Ca -0.21 -0.12 0.13 0.00 -0.03 0.00 0.00 54.58 54.35 1tz8 n ASN 98 Cb 0.54 -4.79 0.25 0.00 -0.61 0.00 0.00 39.78 35.17 1tz8 n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1tz8 n ASP 99 N -2.22 2.51 -2.62 6.41 5.75 -1.26 -3.96 116.55 121.16 1tz8 n ASP 99 Ca -0.18 -1.83 -0.05 0.00 -0.01 0.00 0.00 54.79 52.71 1tz8 n ASP 99 Cb 0.65 -0.02 0.04 0.00 -1.03 0.00 0.00 41.12 40.77 1tz8 n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1tz8 n SER 100 N 0.96 2.34 0.00 -1.12 7.64 -1.26 -5.11 113.62 117.06 1tz8 n SER 100 Ca 0.16 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.61 1tz8 n SER 100 Cb 0.51 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1tz8 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tz8 n GLY 101 N -0.61 1.63 3.77 0.23 0.00 -1.26 -5.01 105.19 103.94 1tz8 n GLY 101 Ca 0.16 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.16 4.26 0.07 1.61 0.04 -1.26 -4.43 135.00 133.13 1tz8 s PRO 102 Ca 0.00 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 1tz8 s PRO 102 Cb 0.00 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1tz8 s PRO 102 CO 0.00 -0.18 -0.01 1.03 0.04 0.00 0.00 177.00 177.88 1tz8 s ARG 103 N -1.96 0.71 -0.20 4.56 1.81 -1.26 -4.81 118.95 117.79 1tz8 s ARG 103 Ca 0.52 -1.28 -0.09 0.00 -1.72 0.00 0.00 55.73 53.15 1tz8 s ARG 103 Cb -0.34 0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.31 1tz8 s ARG 103 CO 0.44 -0.15 0.11 1.03 -0.68 0.00 0.00 175.30 176.05 1tz8 s ARG 104 N -3.95 4.06 -0.14 3.54 3.00 0.12 -4.78 118.95 120.81 1tz8 s ARG 104 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 55.73 55.55 1tz8 s ARG 104 Cb 0.08 -3.37 -0.01 0.00 0.00 0.00 0.00 34.95 31.64 1tz8 s ARG 104 CO -0.07 0.22 -0.12 0.71 0.00 0.00 0.00 175.30 176.05 1tz8 s TYR 105 N 0.57 2.84 -0.20 -0.53 1.51 0.10 -1.75 117.35 119.89 1tz8 s TYR 105 Ca 0.06 -0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 55.44 1tz8 s TYR 105 Cb -0.12 -1.88 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1tz8 s TYR 105 CO 0.00 -0.23 -0.08 0.99 -1.11 0.00 0.00 175.55 175.13 1tz8 s THR 106 N 0.46 3.14 -0.36 -0.71 2.01 0.13 -0.13 115.64 120.17 1tz8 s THR 106 Ca -0.09 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 1tz8 s THR 106 Cb -0.16 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1tz8 s THR 106 CO 0.04 0.45 0.25 -0.63 -0.69 0.00 0.00 174.62 174.04 1tz8 s ILE 107 N 1.32 5.12 -0.08 1.82 -1.09 0.75 -0.83 121.20 128.21 1tz8 s ILE 107 Ca 0.04 -0.46 -0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1tz8 s ILE 107 Cb -0.14 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1tz8 s ILE 107 CO -0.04 -0.12 -0.04 0.00 -1.23 0.00 0.00 174.94 173.50 1tz8 s ALA 108 N 1.68 3.09 -0.03 9.38 0.00 -0.30 -0.96 121.76 134.61 1tz8 s ALA 108 Ca 0.05 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1tz8 s ALA 108 Cb -0.18 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1tz8 s ALA 108 CO 0.09 0.57 -0.02 0.00 0.00 0.00 0.00 175.76 176.40 1tz8 s ALA 109 N -0.81 0.46 -0.20 0.00 0.00 0.22 -1.40 121.76 120.03 1tz8 s ALA 109 Ca 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 1tz8 s ALA 109 Cb -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1tz8 s ALA 109 CO 0.02 -0.02 -0.03 -1.17 0.00 0.00 0.00 175.76 174.56 1tz8 s LEU 110 N 0.84 3.07 -0.08 0.00 2.96 0.38 -1.11 118.68 124.74 1tz8 s LEU 110 Ca -0.10 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1tz8 s LEU 110 Cb -0.13 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1tz8 s LEU 110 CO -0.01 0.04 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.25 1tz8 s LEU 111 N 1.11 3.22 0.08 -0.68 1.43 0.04 -1.87 118.68 122.00 1tz8 s LEU 111 Ca 0.02 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1tz8 s LEU 111 Cb -0.15 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1tz8 s LEU 111 CO 0.00 0.34 -0.07 -0.44 0.23 0.00 0.00 176.35 176.42 1tz8 s SER 112 N -0.68 1.00 0.35 2.29 0.01 0.41 -0.92 113.70 116.16 1tz8 s SER 112 Ca 0.10 -0.88 0.12 0.00 1.31 0.00 0.00 55.95 56.60 1tz8 s SER 112 Cb -0.11 0.09 0.92 0.00 0.21 0.00 0.00 66.02 67.12 1tz8 s SER 112 CO 0.02 -0.40 1.79 -0.65 0.41 0.00 0.00 173.24 174.40 1tz8 h PRO 113 N 3.41 0.56 -0.24 12.44 0.11 -1.99 -2.50 132.00 143.79 1tz8 h PRO 113 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1tz8 h PRO 113 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1tz8 h PRO 113 CO 0.58 0.37 0.00 0.66 -0.21 0.00 0.00 178.00 179.40 1tz8 n TYR 114 N -4.68 0.60 -3.62 0.65 4.02 -1.26 -0.91 117.16 111.95 1tz8 n TYR 114 Ca 0.23 -0.73 -0.15 0.00 -0.01 0.00 0.00 57.90 57.24 1tz8 n TYR 114 Cb 0.69 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.64 -0.62 0.04 7.72 1.04 -0.94 -4.94 113.70 114.36 1tz8 s SER 115 Ca 0.31 0.99 -0.05 0.00 0.48 0.00 0.00 55.95 57.68 1tz8 s SER 115 Cb 0.23 0.97 -0.01 0.00 0.10 0.00 0.00 66.02 67.30 1tz8 s SER 115 CO 0.10 -0.37 0.08 -0.72 0.98 0.00 0.00 173.24 173.31 1tz8 s TYR 116 N -0.31 0.25 -0.03 5.02 1.13 -1.26 -0.45 117.35 121.71 1tz8 s TYR 116 Ca -0.05 -0.61 0.02 0.00 -1.41 0.00 0.00 57.07 55.03 1tz8 s TYR 116 Cb -0.03 -0.17 0.01 0.00 -1.10 0.00 0.00 41.96 40.66 1tz8 s TYR 116 CO 0.04 -0.38 -0.08 -1.12 -2.51 0.00 0.00 175.55 171.50 1tz8 s SER 117 N -2.31 1.15 0.04 -0.18 0.01 -0.78 -4.98 113.70 106.65 1tz8 s SER 117 Ca -0.02 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.09 1tz8 s SER 117 Cb 0.01 -0.35 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 1tz8 s SER 117 CO -0.06 0.04 -0.11 0.28 0.41 0.00 0.00 173.24 173.81 1tz8 s THR 118 N 0.31 0.81 0.09 1.44 -1.32 -1.26 -0.47 115.64 115.24 1tz8 s THR 118 Ca -0.05 -0.92 -0.00 0.00 -1.21 0.00 0.00 61.69 59.51 1tz8 s THR 118 Cb -0.09 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 1tz8 s THR 118 CO 0.01 -0.12 -0.02 0.28 -2.21 0.00 0.00 174.62 172.56 1tz8 s THR 119 N -0.93 0.36 -0.03 5.08 -1.32 -0.49 -5.00 115.64 113.30 1tz8 s THR 119 Ca -0.02 -1.88 0.06 0.00 -1.21 0.00 0.00 61.69 58.64 1tz8 s THR 119 Cb -0.08 -1.72 -0.02 0.00 -1.51 0.00 0.00 72.50 69.17 1tz8 s THR 119 CO 0.01 -0.82 -0.20 0.00 -2.21 0.00 0.00 174.62 171.41 1tz8 s ALA 120 N -3.85 2.45 -0.19 11.08 0.00 -1.26 -1.15 121.76 128.84 1tz8 s ALA 120 Ca 0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1tz8 s ALA 120 Cb 0.07 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1tz8 s ALA 120 CO -0.05 0.55 -0.14 0.08 0.00 0.00 0.00 175.76 176.19 1tz8 s VAL 121 N -0.71 2.58 -0.17 0.00 1.01 -0.01 -4.98 120.40 118.13 1tz8 s VAL 121 Ca 0.11 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1tz8 s VAL 121 Cb -0.10 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1tz8 s VAL 121 CO 0.00 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.77 1tz8 s VAL 122 N 1.28 1.65 0.23 2.92 1.01 -1.26 -0.70 120.40 125.54 1tz8 s VAL 122 Ca 0.04 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1tz8 s VAL 122 Cb -0.14 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1tz8 s VAL 122 CO -0.08 0.39 0.03 0.42 0.00 0.00 0.00 175.10 175.86 1tz8 s THR 123 N 1.44 0.83 -2.00 3.92 -4.23 -0.72 -4.96 115.64 109.92 1tz8 s THR 123 Ca 0.03 -2.01 0.17 0.00 -1.18 0.00 0.00 61.69 58.70 1tz8 s THR 123 Cb -0.14 -2.40 0.48 0.00 1.34 0.00 0.00 72.50 71.78 1tz8 s THR 123 CO -0.10 -0.25 1.41 0.59 -0.54 0.00 0.00 174.62 175.73