#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx8 s GLN 23 N 0.00 4.49 0.71 1.61 0.74 -1.26 -5.06 119.66 120.89 3hx8 s GLN 23 Ca 0.00 1.22 -0.11 0.00 0.05 0.00 0.00 55.36 56.53 3hx8 s GLN 23 Cb 0.00 -3.47 0.03 0.00 1.10 0.00 0.00 33.01 30.66 3hx8 s GLN 23 CO 0.00 -0.06 1.08 -1.54 -0.55 0.00 0.00 175.29 174.22 3hx8 s SER 24 N 0.97 5.29 0.21 6.67 1.04 -1.26 -4.91 113.70 121.70 3hx8 s SER 24 Ca 0.46 0.99 -0.09 0.00 0.48 0.00 0.00 55.95 57.79 3hx8 s SER 24 Cb -0.19 -1.75 0.24 0.00 0.10 0.00 0.00 66.02 64.42 3hx8 s SER 24 CO 0.23 -1.40 1.82 0.00 0.98 0.00 0.00 173.24 174.86 3hx8 h ALA 25 N -0.65 0.92 -0.78 5.32 0.00 -1.99 -1.42 119.26 120.67 3hx8 h ALA 25 Ca -0.45 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3hx8 h ALA 25 Cb 1.27 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3hx8 h ALA 25 CO 0.64 0.09 0.35 -0.22 0.00 0.00 0.00 179.25 180.10 3hx8 h LYS 26 N 0.73 1.13 -0.67 0.00 1.63 -1.97 0.21 116.57 117.63 3hx8 h LYS 26 Ca 0.30 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.86 3hx8 h LYS 26 Cb 0.17 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3hx8 h LYS 26 CO -0.17 0.89 0.14 0.93 -3.45 0.00 0.00 179.45 177.78 3hx8 h GLU 27 N 1.12 1.09 -0.51 1.90 5.08 -1.84 -0.53 114.58 120.89 3hx8 h GLU 27 Ca 0.27 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3hx8 h GLU 27 Cb 0.15 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3hx8 h GLU 27 CO -0.03 0.98 -0.07 0.00 -1.00 0.00 0.00 179.01 178.89 3hx8 h ALA 28 N 1.06 0.92 -0.52 3.43 0.00 -0.83 -1.69 119.26 121.62 3hx8 h ALA 28 Ca 0.21 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hx8 h ALA 28 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hx8 h ALA 28 CO 0.01 0.63 -0.06 0.82 0.00 0.00 0.00 179.25 180.65 3hx8 h ILE 29 N 0.82 1.27 -0.62 0.00 2.04 -0.81 -0.18 117.51 120.03 3hx8 h ILE 29 Ca 0.14 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3hx8 h ILE 29 Cb 0.59 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3hx8 h ILE 29 CO 0.04 0.42 0.41 -0.08 0.00 0.00 0.00 178.15 178.94 3hx8 h GLU 30 N 0.83 0.82 -0.70 2.37 4.57 -0.88 -0.05 114.58 121.54 3hx8 h GLU 30 Ca 0.14 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3hx8 h GLU 30 Cb 0.61 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 3hx8 h GLU 30 CO 0.04 0.55 0.16 0.00 -1.18 0.00 0.00 179.01 178.57 3hx8 h ALA 31 N 1.22 0.94 -0.65 2.92 0.00 -1.03 -1.84 119.26 120.82 3hx8 h ALA 31 Ca 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hx8 h ALA 31 Cb -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3hx8 h ALA 31 CO -0.05 0.67 0.34 0.00 0.00 0.00 0.00 179.25 180.21 3hx8 h ALA 32 N 1.09 0.84 -0.66 0.00 0.00 -0.67 -1.78 119.26 118.08 3hx8 h ALA 32 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hx8 h ALA 32 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hx8 h ALA 32 CO 0.01 0.37 0.24 -0.91 0.00 0.00 0.00 179.25 178.96 3hx8 h ASN 33 N 0.89 0.90 -0.35 0.00 2.35 -0.84 -0.40 115.58 118.14 3hx8 h ASN 33 Ca 0.23 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3hx8 h ASN 33 Cb 0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3hx8 h ASN 33 CO -0.03 0.82 0.20 0.00 -1.65 0.00 0.00 177.43 176.77 3hx8 h ALA 34 N 1.31 0.43 -0.44 -0.83 0.00 -1.14 -1.07 119.26 117.53 3hx8 h ALA 34 Ca 0.22 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3hx8 h ALA 34 Cb 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3hx8 h ALA 34 CO -0.02 -0.15 0.07 -0.44 0.00 0.00 0.00 179.25 178.71 3hx8 h ASP 35 N 0.41 -0.04 0.34 0.00 3.32 -0.97 -1.53 116.42 117.95 3hx8 h ASP 35 Ca 0.14 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hx8 h ASP 35 Cb 0.00 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3hx8 h ASP 35 CO -0.06 0.01 -0.25 0.15 -1.72 0.00 0.00 179.24 177.37 3hx8 h PHE 36 N 0.19 -0.65 -0.65 4.55 3.04 -0.72 -0.80 116.94 121.89 3hx8 h PHE 36 Ca 0.22 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.10 3hx8 h PHE 36 Cb 0.28 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 3hx8 h PHE 36 CO -0.23 -0.37 0.15 0.28 -2.02 0.00 0.00 178.31 176.11 3hx8 h VAL 37 N -0.58 1.25 -0.33 1.41 2.07 -1.15 -0.58 116.25 118.35 3hx8 h VAL 37 Ca -0.03 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 3hx8 h VAL 37 Cb 0.50 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3hx8 h VAL 37 CO 0.00 0.36 0.19 0.50 0.02 0.00 0.00 177.57 178.65 3hx8 h LYS 38 N 0.99 0.45 -0.39 1.57 3.64 -1.13 -0.89 116.57 120.81 3hx8 h LYS 38 Ca 0.21 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3hx8 h LYS 38 Cb 0.37 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3hx8 h LYS 38 CO 0.00 0.35 0.18 0.00 -2.27 0.00 0.00 179.45 177.71 3hx8 h ALA 39 N 1.07 0.50 -0.22 5.00 0.00 -0.95 -0.89 119.26 123.78 3hx8 h ALA 39 Ca 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hx8 h ALA 39 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hx8 h ALA 39 CO -0.02 0.08 0.12 -0.92 0.00 0.00 0.00 179.25 178.50 3hx8 h TYR 40 N 0.49 0.22 0.00 0.00 3.20 -0.83 -1.41 116.97 118.63 3hx8 h TYR 40 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3hx8 h TYR 40 Cb 0.14 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3hx8 h TYR 40 CO -0.01 0.13 0.00 0.09 -1.64 0.00 0.00 178.16 176.73 3hx8 n ASN 41 N -4.98 0.17 -0.20 -2.11 3.02 -0.36 -0.89 115.26 109.91 3hx8 n ASN 41 Ca -0.03 0.52 0.13 0.00 -0.03 0.00 0.00 54.58 55.18 3hx8 n ASN 41 Cb 0.05 -0.56 0.68 0.00 -0.61 0.00 0.00 39.78 39.34 3hx8 n ASN 41 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hx8 n SER 42 N -1.66 0.62 -3.84 6.41 7.64 -0.35 -4.94 113.62 117.50 3hx8 n SER 42 Ca 0.06 -1.31 -0.28 0.00 1.01 0.00 0.00 58.87 58.36 3hx8 n SER 42 Cb 0.34 -0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.56 3hx8 n SER 42 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3hx8 n LYS 43 N -0.47 -5.76 -3.73 1.43 5.02 -0.07 -4.94 118.16 109.64 3hx8 n LYS 43 Ca 0.20 0.63 -0.36 0.00 -2.02 0.00 0.00 58.31 56.76 3hx8 n LYS 43 Cb 0.20 -5.50 -0.10 0.00 -0.02 0.00 0.00 35.03 29.61 3hx8 n LYS 43 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hx8 s ASP 44 N -3.49 5.21 0.18 4.39 2.15 -0.56 -4.94 116.67 119.61 3hx8 s ASP 44 Ca 0.55 -3.00 -0.09 0.00 0.43 0.00 0.00 52.55 50.43 3hx8 s ASP 44 Cb -0.27 -1.84 0.06 0.00 -0.30 0.00 0.00 42.92 40.57 3hx8 s ASP 44 CO 0.81 -0.33 1.62 0.00 -0.17 0.00 0.00 175.17 177.11 3hx8 h ALA 45 N 6.82 0.80 -0.77 3.66 0.00 -1.91 -1.34 119.26 126.52 3hx8 h ALA 45 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.66 3hx8 h ALA 45 Cb 0.93 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3hx8 h ALA 45 CO 0.72 0.67 0.44 0.00 0.00 0.00 0.00 179.25 181.08 3hx8 h ALA 46 N 0.97 1.06 -0.89 0.00 0.00 -1.92 0.81 119.26 119.29 3hx8 h ALA 46 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hx8 h ALA 46 Cb 0.60 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hx8 h ALA 46 CO 0.04 0.11 0.54 0.78 0.00 0.00 0.00 179.25 180.72 3hx8 h GLY 47 N 0.78 1.28 0.67 0.00 0.00 -1.78 -0.67 103.07 103.35 3hx8 h GLY 47 Ca 0.35 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3hx8 h GLY 47 CO -0.21 0.51 -0.01 -2.08 0.00 0.00 0.00 176.54 174.75 3hx8 h VAL 48 N 1.22 1.22 0.00 4.60 2.07 -0.84 -3.13 116.25 121.39 3hx8 h VAL 48 Ca 0.32 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3hx8 h VAL 48 Cb -0.06 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3hx8 h VAL 48 CO -0.06 0.19 -0.13 0.00 0.02 0.00 0.00 177.57 177.59 3hx8 h ALA 49 N 0.61 1.76 0.00 1.67 0.00 -0.72 -1.80 119.26 120.78 3hx8 h ALA 49 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hx8 h ALA 49 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hx8 h ALA 49 CO 0.00 0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.84 3hx8 n SER 50 N -4.34 0.39 0.00 0.00 7.64 -0.27 -1.50 113.62 115.53 3hx8 n SER 50 Ca -0.03 0.61 0.15 0.00 1.01 0.00 0.00 58.87 60.61 3hx8 n SER 50 Cb 0.20 -0.68 0.80 0.00 -1.01 0.00 0.00 64.21 63.52 3hx8 n SER 50 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3hx8 n LYS 51 N -1.94 0.61 0.00 1.43 4.76 -0.67 -5.04 118.16 117.30 3hx8 n LYS 51 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3hx8 n LYS 51 Cb 0.18 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3hx8 n LYS 51 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3hx8 n TYR 52 N -1.19 0.00 -0.02 2.13 4.02 -0.56 -0.81 117.16 120.73 3hx8 n TYR 52 Ca 0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.89 3hx8 n TYR 52 Cb 0.19 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.37 3hx8 n TYR 52 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3hx8 n ASP 54 N 0.00 1.64 -1.73 7.72 8.00 -1.26 -4.85 116.55 126.07 3hx8 n ASP 54 Ca 0.00 0.22 -0.07 0.00 0.71 0.00 0.00 54.79 55.64 3hx8 n ASP 54 Cb 0.00 -0.48 0.25 0.00 -0.02 0.00 0.00 41.12 40.87 3hx8 n ASP 54 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3hx8 n ASP 55 N -3.29 4.01 -4.64 -2.24 5.75 -1.26 -1.88 116.55 113.00 3hx8 n ASP 55 Ca -0.29 -3.39 -0.29 0.00 -0.01 0.00 0.00 54.79 50.81 3hx8 n ASP 55 Cb 1.05 -0.72 0.18 0.00 -1.03 0.00 0.00 41.12 40.61 3hx8 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hx8 s ALA 56 N -3.09 0.80 0.01 2.12 0.00 -1.26 -4.70 121.76 115.64 3hx8 s ALA 56 Ca 0.52 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3hx8 s ALA 56 Cb 0.43 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 3hx8 s ALA 56 CO 0.10 -2.95 -0.03 0.00 0.00 0.00 0.00 175.76 172.87 3hx8 s ALA 57 N -2.78 0.25 0.10 0.00 0.00 -0.35 -0.27 121.76 118.71 3hx8 s ALA 57 Ca 0.66 -0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.46 3hx8 s ALA 57 Cb -0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3hx8 s ALA 57 CO 0.59 0.02 -0.17 0.00 0.00 0.00 0.00 175.76 176.21 3hx8 s ALA 58 N -0.37 2.72 -0.57 0.00 0.00 0.01 -1.52 121.76 122.02 3hx8 s ALA 58 Ca -0.02 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.70 3hx8 s ALA 58 Cb -0.03 -0.72 0.22 0.00 0.00 0.00 0.00 23.12 22.60 3hx8 s ALA 58 CO -0.00 0.60 0.60 1.19 0.00 0.00 0.00 175.76 178.15 3hx8 n PHE 59 N 0.94 2.18 -2.43 0.00 3.01 0.51 -0.98 117.46 120.70 3hx8 n PHE 59 Ca -0.15 -3.97 -0.41 0.00 1.01 0.00 0.00 57.45 53.93 3hx8 n PHE 59 Cb 0.52 -0.44 -0.04 0.00 -0.01 0.00 0.00 39.48 39.52 3hx8 n PHE 59 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3hx8 s PRO 60 N -1.71 4.53 0.32 -1.08 0.04 -1.26 -3.99 135.00 131.85 3hx8 s PRO 60 Ca 0.35 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 3hx8 s PRO 60 Cb 0.10 -3.25 -0.12 0.00 0.04 0.00 0.00 34.50 31.28 3hx8 s PRO 60 CO -0.09 -0.01 1.54 -2.30 0.04 0.00 0.00 177.00 176.18 3hx8 n PRO 61 N 2.35 2.63 -2.90 0.56 -0.02 -1.26 -4.63 135.00 131.73 3hx8 n PRO 61 Ca 0.03 0.93 -0.11 0.00 -2.02 0.00 0.00 63.50 62.34 3hx8 n PRO 61 Cb 0.45 -2.69 0.05 0.00 -0.02 0.00 0.00 33.50 31.30 3hx8 n PRO 61 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hx8 n ASP 62 N 1.62 -2.32 -4.89 2.55 8.00 -1.26 -5.17 116.55 115.08 3hx8 n ASP 62 Ca 0.06 -0.37 -0.30 0.00 0.71 0.00 0.00 54.79 54.89 3hx8 n ASP 62 Cb 0.37 -3.30 -0.04 0.00 -0.02 0.00 0.00 41.12 38.13 3hx8 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hx8 s ALA 64 N -3.22 3.64 0.36 2.24 0.00 -1.26 -5.29 121.76 118.24 3hx8 s ALA 64 Ca 0.04 -0.47 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 3hx8 s ALA 64 Cb -0.02 -2.30 -0.13 0.00 0.00 0.00 0.00 23.12 20.67 3hx8 s ALA 64 CO 0.44 0.42 0.72 -2.13 0.00 0.00 0.00 175.76 175.22 3hx8 n ARG 65 N -0.46 0.80 -4.27 0.00 0.63 -1.26 -4.57 116.66 107.53 3hx8 n ARG 65 Ca -0.01 0.29 -0.33 0.00 -0.92 0.00 0.00 57.85 56.88 3hx8 n ARG 65 Cb 0.53 -1.60 -0.16 0.00 0.45 0.00 0.00 32.46 31.67 3hx8 n ARG 65 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3hx8 s VAL 66 N -1.29 2.06 -0.13 5.15 1.01 -0.15 -5.01 120.40 122.05 3hx8 s VAL 66 Ca 0.62 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 3hx8 s VAL 66 Cb -0.66 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3hx8 s VAL 66 CO 0.58 0.54 -0.11 -1.81 0.00 0.00 0.00 175.10 174.31 3hx8 s ASP 67 N 1.16 4.23 0.00 3.32 1.01 -1.26 -0.81 116.67 124.33 3hx8 s ASP 67 Ca 0.02 -0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.02 3hx8 s ASP 67 Cb -0.14 -1.59 0.00 0.00 1.01 0.00 0.00 42.92 42.21 3hx8 s ASP 67 CO -0.10 0.19 0.00 0.61 0.21 0.00 0.00 175.17 176.08 3hx8 n GLY 68 N 3.39 -0.24 0.20 0.21 0.00 0.62 -4.36 105.19 105.01 3hx8 n GLY 68 Ca -0.18 -1.53 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 3hx8 n GLY 68 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hx8 h ARG 69 N 0.00 0.33 -0.58 1.61 2.43 -1.63 -0.75 114.38 115.79 3hx8 h ARG 69 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hx8 h ARG 69 Cb 0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3hx8 h ARG 69 CO 0.00 0.22 0.36 0.37 -1.51 0.00 0.00 179.97 179.41 3hx8 h GLN 70 N 0.34 0.78 -0.15 0.20 4.15 -1.87 0.14 115.11 118.69 3hx8 h GLN 70 Ca 0.24 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 3hx8 h GLN 70 Cb 0.26 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3hx8 h GLN 70 CO -0.25 0.55 -0.28 -0.91 -1.93 0.00 0.00 178.83 176.01 3hx8 h ASN 71 N 0.78 0.28 -0.44 -0.69 2.35 -1.66 -2.49 115.58 113.71 3hx8 h ASN 71 Ca 0.21 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3hx8 h ASN 71 Cb -0.04 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3hx8 h ASN 71 CO -0.04 0.57 0.05 0.40 -1.65 0.00 0.00 177.43 176.76 3hx8 h ILE 72 N 0.25 1.24 -0.38 2.81 2.04 -0.57 -0.34 117.51 122.56 3hx8 h ILE 72 Ca 0.04 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.00 3hx8 h ILE 72 Cb 0.63 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3hx8 h ILE 72 CO 0.05 0.33 0.16 -0.61 0.00 0.00 0.00 178.15 178.08 3hx8 h GLN 73 N 0.77 0.33 -0.65 2.37 4.15 -0.60 -1.54 115.11 119.93 3hx8 h GLN 73 Ca 0.16 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3hx8 h GLN 73 Cb 0.39 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 3hx8 h GLN 73 CO 0.01 0.22 0.25 0.87 -1.93 0.00 0.00 178.83 178.25 3hx8 h LYS 74 N 0.34 0.96 -0.08 1.69 1.57 -0.99 0.73 116.57 120.79 3hx8 h LYS 74 Ca 0.17 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3hx8 h LYS 74 Cb 0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3hx8 h LYS 74 CO -0.14 0.79 -0.06 1.25 -0.57 0.00 0.00 179.45 180.71 3hx8 h LEU 75 N 0.94 -0.19 -0.56 2.94 5.85 -0.58 -0.83 115.31 122.88 3hx8 h LEU 75 Ca 0.22 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.83 3hx8 h LEU 75 Cb 0.20 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3hx8 h LEU 75 CO -0.02 -0.09 -0.47 -0.50 -0.34 0.00 0.00 178.44 177.02 3hx8 h TRP 76 N -0.07 0.75 -0.94 1.25 -0.00 -0.89 -1.90 115.95 114.16 3hx8 h TRP 76 Ca 0.05 -0.24 0.04 0.00 -0.00 0.00 0.00 58.89 58.74 3hx8 h TRP 76 Cb 0.15 -0.15 -0.06 0.00 -0.00 0.00 0.00 29.16 29.10 3hx8 h TRP 76 CO -0.17 0.97 0.61 0.37 -0.00 0.00 0.00 178.44 180.23 3hx8 h GLN 77 N 0.49 1.12 -0.61 0.49 5.75 -0.74 -2.70 115.11 118.91 3hx8 h GLN 77 Ca 0.03 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.36 3hx8 h GLN 77 Cb 1.01 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 3hx8 h GLN 77 CO 0.09 0.74 0.00 0.78 -2.65 0.00 0.00 178.83 177.80 3hx8 h GLY 78 N 1.16 1.17 -1.17 2.39 0.00 -0.60 0.09 103.07 106.10 3hx8 h GLY 78 Ca 0.38 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hx8 h GLY 78 CO -0.12 0.79 0.00 0.00 0.00 0.00 0.00 176.54 177.21 3hx8 n ALA 79 N -2.48 1.12 -2.03 3.60 0.00 -0.77 -4.72 120.51 115.23 3hx8 n ALA 79 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 3hx8 n ALA 79 Cb 0.35 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 3hx8 n ALA 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hx8 n ASP 81 N 0.57 -0.23 -0.09 0.00 8.00 0.01 -2.06 116.55 122.76 3hx8 n ASP 81 Ca 0.00 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3hx8 n ASP 81 Cb 0.01 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3hx8 n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hx8 n GLY 83 N -0.65 -1.36 3.71 0.44 0.00 -1.26 -5.23 105.19 100.84 3hx8 n GLY 83 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hx8 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hx8 s ILE 84 N 0.00 3.80 0.17 -0.61 1.01 -0.88 -4.70 121.20 120.00 3hx8 s ILE 84 Ca 0.00 1.28 -0.03 0.00 0.00 0.00 0.00 60.65 61.90 3hx8 s ILE 84 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3hx8 s ILE 84 CO 0.00 0.08 0.14 -0.44 0.00 0.00 0.00 174.94 174.73 3hx8 s SER 85 N 1.18 0.18 -1.18 3.58 0.01 0.01 -4.96 113.70 112.52 3hx8 s SER 85 Ca 0.61 -1.21 -0.07 0.00 1.31 0.00 0.00 55.95 56.58 3hx8 s SER 85 Cb -0.31 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 3hx8 s SER 85 CO 0.29 -0.82 0.81 -0.62 0.41 0.00 0.00 173.24 173.30 3hx8 n GLU 86 N -0.20 -3.42 -2.32 12.44 -0.58 -1.26 -0.62 120.64 124.68 3hx8 n GLU 86 Ca -0.03 0.67 -0.42 0.00 -0.42 0.00 0.00 57.16 56.96 3hx8 n GLU 86 Cb 0.64 -5.15 -0.03 0.00 -0.57 0.00 0.00 31.44 26.33 3hx8 n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3hx8 s LEU 87 N -6.25 4.37 -0.07 -4.62 2.96 -1.26 -4.19 118.68 109.62 3hx8 s LEU 87 Ca 0.24 2.15 0.02 0.00 -0.22 0.00 0.00 54.13 56.33 3hx8 s LEU 87 Cb -0.06 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3hx8 s LEU 87 CO 0.80 -0.54 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.62 3hx8 s LYS 88 N 1.03 1.80 -0.04 1.98 1.02 0.11 -4.97 119.74 120.67 3hx8 s LYS 88 Ca 0.61 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 56.20 3hx8 s LYS 88 Cb -0.33 -1.51 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 3hx8 s LYS 88 CO 0.30 0.00 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.08 3hx8 s LEU 89 N 0.76 2.77 -0.17 3.17 1.43 -1.26 -1.48 118.68 123.89 3hx8 s LEU 89 Ca -0.13 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3hx8 s LEU 89 Cb -0.16 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.53 3hx8 s LEU 89 CO 0.03 0.33 -0.10 -0.89 0.23 0.00 0.00 176.35 175.95 3hx8 s THR 90 N -0.77 1.46 -0.07 5.49 2.01 0.09 -5.01 115.64 118.84 3hx8 s THR 90 Ca 0.12 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 3hx8 s THR 90 Cb -0.11 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 3hx8 s THR 90 CO 0.01 0.24 1.09 -0.89 -0.69 0.00 0.00 174.62 174.38 3hx8 s THR 91 N 1.49 4.54 -0.07 -0.82 2.01 -1.26 -0.94 115.64 120.59 3hx8 s THR 91 Ca 0.01 1.84 0.15 0.00 0.31 0.00 0.00 61.69 64.00 3hx8 s THR 91 Cb -0.15 -4.18 -0.23 0.00 0.01 0.00 0.00 72.50 67.95 3hx8 s THR 91 CO -0.09 0.01 0.24 0.18 -0.69 0.00 0.00 174.62 174.28 3hx8 n LEU 92 N 5.00 0.00 -3.62 4.42 4.77 0.04 -4.96 117.00 122.66 3hx8 n LEU 92 Ca 0.10 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 3hx8 n LEU 92 Cb 0.48 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 3hx8 n LEU 92 CO 0.53 0.14 0.45 -0.62 -1.33 0.00 0.00 177.39 176.57 3hx8 s ASP 93 N -4.26 -0.71 -0.03 -1.43 2.15 -0.81 -4.98 116.67 106.60 3hx8 s ASP 93 Ca -0.07 1.31 0.01 0.00 0.43 0.00 0.00 52.55 54.23 3hx8 s ASP 93 Cb 0.08 1.30 0.02 0.00 -0.30 0.00 0.00 42.92 44.02 3hx8 s ASP 93 CO 0.66 -0.29 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.65 3hx8 s VAL 94 N 0.16 0.35 -0.08 1.11 1.01 -1.26 -1.16 120.40 120.53 3hx8 s VAL 94 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3hx8 s VAL 94 Cb -0.04 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.94 3hx8 s VAL 94 CO 0.02 0.18 -0.16 -1.58 0.00 0.00 0.00 175.10 173.56 3hx8 s GLN 95 N 0.87 2.13 0.09 2.72 2.00 -0.06 -5.00 119.66 122.41 3hx8 s GLN 95 Ca -0.10 -0.55 0.01 0.00 -2.00 0.00 0.00 55.36 52.71 3hx8 s GLN 95 Cb -0.13 -1.72 -0.04 0.00 0.80 0.00 0.00 33.01 31.92 3hx8 s GLN 95 CO -0.01 0.05 0.23 -1.83 -0.50 0.00 0.00 175.29 173.22 3hx8 s GLU 96 N 0.65 3.42 -0.45 1.67 -1.05 -1.26 -1.22 118.70 120.46 3hx8 s GLU 96 Ca -0.14 -0.49 0.06 0.00 -0.15 0.00 0.00 54.97 54.24 3hx8 s GLU 96 Cb -0.16 -3.01 0.19 0.00 -0.44 0.00 0.00 34.13 30.71 3hx8 s GLU 96 CO 0.04 0.58 0.53 0.45 0.95 0.00 0.00 175.26 177.81 3hx8 n SER 97 N 0.06 -1.63 0.00 0.83 2.88 0.66 -4.95 113.62 111.46 3hx8 n SER 97 Ca -0.06 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 3hx8 n SER 97 Cb 0.52 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 3hx8 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hx8 n GLY 98 N 2.67 2.96 0.75 0.46 0.00 -1.26 -1.77 105.19 109.00 3hx8 n GLY 98 Ca 0.24 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3hx8 n GLY 98 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hx8 n ASP 99 N 8.37 2.16 -4.54 1.61 8.00 -1.26 -4.81 116.55 126.07 3hx8 n ASP 99 Ca 0.00 -2.00 -0.24 0.00 0.71 0.00 0.00 54.79 53.25 3hx8 n ASP 99 Cb 0.00 -0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 40.73 3hx8 n ASP 99 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3hx8 s PHE 100 N -1.46 2.42 0.19 1.24 0.40 -0.73 -0.81 117.98 119.24 3hx8 s PHE 100 Ca 0.27 -0.38 -0.17 0.00 -0.60 0.00 0.00 56.93 56.05 3hx8 s PHE 100 Cb 0.14 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.48 3hx8 s PHE 100 CO 0.18 0.63 0.51 0.00 0.70 0.00 0.00 175.22 177.23 3hx8 s ALA 101 N -2.51 -0.86 0.02 5.36 0.00 -0.48 -0.25 121.76 123.04 3hx8 s ALA 101 Ca 0.32 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3hx8 s ALA 101 Cb -0.02 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 3hx8 s ALA 101 CO 0.17 -0.80 -0.07 -0.59 0.00 0.00 0.00 175.76 174.48 3hx8 s PHE 102 N -3.88 0.59 -0.05 0.00 -0.71 -0.36 -0.21 117.98 113.36 3hx8 s PHE 102 Ca 0.10 -0.29 0.04 0.00 -1.04 0.00 0.00 56.93 55.73 3hx8 s PHE 102 Cb -0.01 -0.36 0.00 0.00 -1.21 0.00 0.00 43.02 41.44 3hx8 s PHE 102 CO -0.02 -0.04 -0.15 -2.00 -1.34 0.00 0.00 175.22 171.66 3hx8 s GLU 103 N -0.84 1.72 0.17 1.99 2.12 0.05 -0.88 118.70 123.02 3hx8 s GLU 103 Ca -0.04 -0.54 0.10 0.00 0.36 0.00 0.00 54.97 54.85 3hx8 s GLU 103 Cb -0.06 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.82 3hx8 s GLU 103 CO 0.00 0.18 -0.18 -1.54 -0.54 0.00 0.00 175.26 173.18 3hx8 s SER 104 N 0.20 3.79 0.00 -1.70 1.04 -0.31 -0.79 113.70 115.93 3hx8 s SER 104 Ca -0.07 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.67 3hx8 s SER 104 Cb -0.12 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.53 3hx8 s SER 104 CO 0.03 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.99 3hx8 n GLY 105 N 0.36 1.57 3.29 7.32 0.00 -0.71 -0.78 105.19 116.25 3hx8 n GLY 105 Ca -0.13 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 3hx8 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hx8 s SER 106 N -0.98 2.31 0.10 1.61 1.04 -0.12 -1.38 113.70 116.28 3hx8 s SER 106 Ca 0.00 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 55.58 3hx8 s SER 106 Cb 0.00 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 3hx8 s SER 106 CO 0.00 -0.13 -0.11 0.72 0.98 0.00 0.00 173.24 174.70 3hx8 s PHE 107 N -2.41 1.11 0.02 5.02 -0.12 -0.53 -0.73 117.98 120.35 3hx8 s PHE 107 Ca 0.15 -0.65 -0.00 0.00 -0.05 0.00 0.00 56.93 56.37 3hx8 s PHE 107 Cb -0.04 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.73 3hx8 s PHE 107 CO 0.05 0.02 -0.03 -1.54 -0.05 0.00 0.00 175.22 173.67 3hx8 s SER 108 N -2.51 0.28 0.27 1.98 1.04 -0.55 -1.66 113.70 112.55 3hx8 s SER 108 Ca 0.07 -0.57 -0.20 0.00 0.48 0.00 0.00 55.95 55.72 3hx8 s SER 108 Cb -0.03 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.26 3hx8 s SER 108 CO 0.00 -0.35 0.84 -1.48 0.98 0.00 0.00 173.24 173.24 3hx8 s LEU 109 N -1.68 -0.12 -0.18 2.42 0.05 -0.46 -0.71 118.68 117.99 3hx8 s LEU 109 Ca -0.13 -0.75 -0.04 0.00 0.05 0.00 0.00 54.13 53.26 3hx8 s LEU 109 Cb -0.07 2.56 -0.02 0.00 -2.05 0.00 0.00 46.19 46.60 3hx8 s LEU 109 CO -0.02 -1.32 -0.02 -0.54 -0.55 0.00 0.00 176.35 173.90 3hx8 s LYS 110 N -3.00 3.62 0.02 1.48 -0.14 0.20 -1.15 119.74 120.77 3hx8 s LYS 110 Ca 0.14 -0.53 0.01 0.00 -1.36 0.00 0.00 55.97 54.23 3hx8 s LYS 110 Cb -0.04 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 3hx8 s LYS 110 CO 0.07 0.10 -0.03 0.00 -0.76 0.00 0.00 175.35 174.73 3hx8 s ALA 111 N 0.74 0.21 0.24 5.17 0.00 -0.23 -0.81 121.76 127.09 3hx8 s ALA 111 Ca -0.01 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.21 3hx8 s ALA 111 Cb -0.14 0.06 -0.12 0.00 0.00 0.00 0.00 23.12 22.92 3hx8 s ALA 111 CO 0.02 -0.06 1.68 -0.35 0.00 0.00 0.00 175.76 177.05 3hx8 n PRO 112 N 2.10 2.77 -0.16 0.00 -0.04 -1.26 -1.13 135.00 137.28 3hx8 n PRO 112 Ca -0.19 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3hx8 n PRO 112 Cb 0.57 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3hx8 n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hx8 n GLY 113 N 3.26 -0.14 0.28 0.55 0.00 0.36 -4.80 105.19 104.70 3hx8 n GLY 113 Ca 0.13 -1.78 0.16 0.00 0.00 0.00 0.00 46.02 44.53 3hx8 n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx8 h LYS 114 N 0.00 0.00 -0.58 1.61 1.79 -1.95 -0.85 116.57 116.60 3hx8 h LYS 114 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hx8 h LYS 114 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3hx8 h LYS 114 CO 0.00 0.07 0.00 -0.40 -1.08 0.00 0.00 179.45 178.04 3hx8 n ASP 115 N -3.33 3.17 0.00 0.86 5.75 -1.26 -4.93 116.55 116.80 3hx8 n ASP 115 Ca -0.01 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 3hx8 n ASP 115 Cb 0.24 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 3hx8 n ASP 115 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3hx8 n SER 116 N 1.07 -3.29 -4.83 -1.12 7.64 -0.33 -5.01 113.62 107.76 3hx8 n SER 116 Ca 0.19 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.69 3hx8 n SER 116 Cb 0.53 -1.97 -0.06 0.00 -1.01 0.00 0.00 64.21 61.69 3hx8 n SER 116 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hx8 s LYS 117 N -0.97 4.05 0.22 1.43 1.02 -1.26 -4.57 119.74 119.66 3hx8 s LYS 117 Ca 0.00 0.56 -0.30 0.00 0.02 0.00 0.00 55.97 56.25 3hx8 s LYS 117 Cb 0.00 -3.18 -0.10 0.00 -0.52 0.00 0.00 37.83 34.03 3hx8 s LYS 117 CO 0.00 0.63 1.44 -0.51 -0.92 0.00 0.00 175.35 175.99 3hx8 s LEU 118 N -1.25 4.39 0.04 3.17 1.43 -1.26 -0.49 118.68 124.71 3hx8 s LEU 118 Ca 0.28 2.60 -0.01 0.00 -1.03 0.00 0.00 54.13 55.97 3hx8 s LEU 118 Cb -0.18 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 3hx8 s LEU 118 CO 0.17 -0.69 -0.03 0.68 0.23 0.00 0.00 176.35 176.71 3hx8 s VAL 119 N 0.26 0.21 0.26 -1.59 -7.23 -0.28 -4.88 120.40 107.16 3hx8 s VAL 119 Ca 0.61 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 3hx8 s VAL 119 Cb -0.41 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.20 3hx8 s VAL 119 CO 0.40 -0.88 1.47 -1.81 -0.31 0.00 0.00 175.10 173.97 3hx8 s ASP 120 N -2.58 6.60 0.03 4.85 1.01 -1.26 -1.06 116.67 124.26 3hx8 s ASP 120 Ca 0.02 2.73 0.05 0.00 0.71 0.00 0.00 52.55 56.05 3hx8 s ASP 120 Cb 0.04 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3hx8 s ASP 120 CO -0.08 -0.74 -0.14 0.00 0.21 0.00 0.00 175.17 174.42 3hx8 s ALA 121 N -0.05 1.14 0.05 5.23 0.00 -0.30 -4.88 121.76 122.95 3hx8 s ALA 121 Ca 0.60 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 3hx8 s ALA 121 Cb -0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3hx8 s ALA 121 CO 0.45 0.22 0.06 0.00 0.00 0.00 0.00 175.76 176.49 3hx8 s ALA 122 N -0.78 0.13 0.00 0.00 0.00 -1.26 -1.36 121.76 118.49 3hx8 s ALA 122 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3hx8 s ALA 122 Cb -0.07 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3hx8 s ALA 122 CO 0.01 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3hx8 n GLY 123 N 0.33 1.26 3.19 0.00 0.00 -0.67 -1.79 105.19 107.51 3hx8 n GLY 123 Ca -0.16 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 3hx8 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hx8 s LYS 124 N -0.10 0.88 0.07 1.61 -2.85 -0.51 -1.46 119.74 117.39 3hx8 s LYS 124 Ca 0.00 -1.20 -0.06 0.00 -1.00 0.00 0.00 55.97 53.71 3hx8 s LYS 124 Cb 0.00 -0.57 -0.01 0.00 -2.06 0.00 0.00 37.83 35.19 3hx8 s LYS 124 CO 0.00 0.09 0.12 1.52 0.10 0.00 0.00 175.35 177.18 3hx8 s TYR 125 N -2.53 0.26 -0.04 1.78 -0.85 -0.48 -1.59 117.35 113.89 3hx8 s TYR 125 Ca 0.07 -0.70 0.03 0.00 -0.52 0.00 0.00 57.07 55.95 3hx8 s TYR 125 Cb -0.02 -0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.16 3hx8 s TYR 125 CO 0.00 -0.48 -0.12 0.08 -1.52 0.00 0.00 175.55 173.51 3hx8 s VAL 126 N -3.70 1.07 -0.07 -3.49 1.01 -0.57 -1.74 120.40 112.92 3hx8 s VAL 126 Ca 0.04 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3hx8 s VAL 126 Cb 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3hx8 s VAL 126 CO -0.10 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.46 3hx8 s VAL 127 N 0.26 1.58 -0.24 2.92 1.01 0.03 -2.10 120.40 123.87 3hx8 s VAL 127 Ca -0.06 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 3hx8 s VAL 127 Cb -0.11 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3hx8 s VAL 127 CO 0.02 0.45 0.34 -0.69 0.00 0.00 0.00 175.10 175.22 3hx8 s VAL 128 N 0.34 5.22 0.01 2.92 1.01 -0.05 -0.77 120.40 129.08 3hx8 s VAL 128 Ca -0.12 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 3hx8 s VAL 128 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3hx8 s VAL 128 CO 0.05 0.23 0.11 0.26 0.00 0.00 0.00 175.10 175.75 3hx8 s TRP 129 N 1.59 3.35 0.03 5.22 0.52 0.70 -0.32 118.94 130.03 3hx8 s TRP 129 Ca 0.15 0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.54 3hx8 s TRP 129 Cb -0.15 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 3hx8 s TRP 129 CO 0.08 0.57 -0.11 1.03 0.02 0.00 0.00 176.95 178.55 3hx8 s ARG 130 N -1.91 0.77 -0.29 4.98 0.52 0.01 -1.38 118.95 121.65 3hx8 s ARG 130 Ca 0.25 -0.61 -0.21 0.00 -0.52 0.00 0.00 55.73 54.64 3hx8 s ARG 130 Cb -0.12 -0.72 -0.01 0.00 0.52 0.00 0.00 34.95 34.62 3hx8 s ARG 130 CO 0.17 0.18 0.66 0.21 0.02 0.00 0.00 175.30 176.54 3hx8 s LYS 131 N -0.93 3.99 0.90 3.54 2.20 0.01 -0.80 119.74 128.65 3hx8 s LYS 131 Ca -0.00 0.46 -0.12 0.00 -0.36 0.00 0.00 55.97 55.94 3hx8 s LYS 131 Cb -0.07 -3.70 0.13 0.00 -1.51 0.00 0.00 37.83 32.68 3hx8 s LYS 131 CO 0.01 -0.53 1.11 0.20 -0.36 0.00 0.00 175.35 175.78 3hx8 s GLY 132 N 1.57 1.59 0.37 5.54 0.00 -0.19 -4.90 107.32 111.30 3hx8 s GLY 132 Ca 0.27 -0.37 0.09 0.00 0.00 0.00 0.00 44.72 44.71 3hx8 s GLY 132 CO 0.11 0.16 1.90 -1.61 0.00 0.00 0.00 173.10 173.66 3hx8 h GLN 133 N -1.48 0.65 0.00 2.90 4.15 -1.97 -0.05 115.11 119.32 3hx8 h GLN 133 Ca -0.50 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3hx8 h GLN 133 Cb 1.31 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3hx8 h GLN 133 CO 0.60 0.43 0.00 -0.40 -1.93 0.00 0.00 178.83 177.53 3hx8 n ASP 134 N -4.52 0.00 0.00 -0.69 5.68 -1.26 -4.86 116.55 110.90 3hx8 n ASP 134 Ca 0.15 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 3hx8 n ASP 134 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3hx8 n ASP 134 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hx8 n GLY 135 N 0.37 1.46 3.67 6.12 0.00 -0.03 -5.01 105.19 111.78 3hx8 n GLY 135 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3hx8 n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx8 s GLY 136 N -1.85 2.16 0.05 -0.02 0.00 -1.26 -4.69 107.32 101.71 3hx8 s GLY 136 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 44.72 44.31 3hx8 s GLY 136 CO 0.00 1.40 1.23 -0.98 0.00 0.00 0.00 173.10 174.76 3hx8 s TRP 137 N 1.80 3.36 0.05 1.90 0.52 -1.26 -1.02 118.94 124.29 3hx8 s TRP 137 Ca 0.33 1.22 0.01 0.00 0.02 0.00 0.00 56.10 57.68 3hx8 s TRP 137 Cb -0.16 -3.47 -0.03 0.00 -1.15 0.00 0.00 33.47 28.66 3hx8 s TRP 137 CO 0.12 -1.49 -0.06 0.15 0.02 0.00 0.00 176.95 175.70 3hx8 s LYS 138 N 1.25 0.57 0.21 4.98 1.02 0.02 -4.92 119.74 122.87 3hx8 s LYS 138 Ca 0.59 -0.94 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 3hx8 s LYS 138 Cb -0.30 -0.11 -0.09 0.00 -0.52 0.00 0.00 37.83 36.81 3hx8 s LYS 138 CO 0.28 -0.01 1.35 -0.51 -0.92 0.00 0.00 175.35 175.55 3hx8 s LEU 139 N -2.13 4.40 -0.09 3.17 1.02 0.01 -0.81 118.68 124.26 3hx8 s LEU 139 Ca -0.03 2.48 0.00 0.00 0.02 0.00 0.00 54.13 56.59 3hx8 s LEU 139 Cb -0.03 -3.61 -0.06 0.00 0.02 0.00 0.00 46.19 42.51 3hx8 s LEU 139 CO -0.03 -0.59 -0.08 0.00 0.02 0.00 0.00 176.35 175.67 3hx8 n TYR 140 N 2.63 0.00 -4.33 0.29 9.36 0.57 -4.43 117.16 121.26 3hx8 n TYR 140 Ca 0.07 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.07 3hx8 n TYR 140 Cb 0.42 -0.34 -0.16 0.00 -0.63 0.00 0.00 39.34 38.63 3hx8 n TYR 140 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3hx8 s ARG 141 N -2.18 1.15 -0.21 2.98 1.81 -0.69 -1.21 118.95 120.61 3hx8 s ARG 141 Ca -0.12 -0.22 -0.02 0.00 -1.72 0.00 0.00 55.73 53.64 3hx8 s ARG 141 Cb 0.03 -1.05 0.06 0.00 -0.45 0.00 0.00 34.95 33.55 3hx8 s ARG 141 CO 0.20 -0.04 0.04 0.34 -0.68 0.00 0.00 175.30 175.16 3hx8 s ASP 142 N 0.80 3.13 0.01 0.23 2.15 -0.58 -0.87 116.67 121.55 3hx8 s ASP 142 Ca -0.13 -0.95 0.02 0.00 0.43 0.00 0.00 52.55 51.93 3hx8 s ASP 142 Cb -0.15 -0.68 -0.01 0.00 -0.30 0.00 0.00 42.92 41.78 3hx8 s ASP 142 CO 0.02 -0.31 -0.08 -0.51 -0.17 0.00 0.00 175.17 174.11 3hx8 s ILE 143 N 1.79 0.61 0.20 4.11 2.07 -0.89 -0.36 121.20 128.73 3hx8 s ILE 143 Ca -0.00 -0.52 -0.14 0.00 -1.41 0.00 0.00 60.65 58.58 3hx8 s ILE 143 Cb -0.17 -0.55 0.01 0.00 0.13 0.00 0.00 42.46 41.88 3hx8 s ILE 143 CO -0.10 0.04 0.45 -1.66 -1.91 0.00 0.00 174.94 171.76 3hx8 s TRP 144 N -0.47 0.13 0.33 3.50 -2.14 -1.26 -1.51 118.94 117.53 3hx8 s TRP 144 Ca 0.00 -0.49 -0.16 0.00 2.66 0.00 0.00 56.10 58.11 3hx8 s TRP 144 Cb -0.05 0.23 0.03 0.00 -3.10 0.00 0.00 33.47 30.59 3hx8 s TRP 144 CO 0.00 -0.89 0.70 0.54 -2.66 0.00 0.00 176.95 174.64 3hx8 s ASN 145 N -2.93 -0.01 0.36 -2.66 2.20 -0.62 -4.37 114.94 106.90 3hx8 s ASN 145 Ca 0.14 -0.97 -0.13 0.00 -0.94 0.00 0.00 52.86 50.97 3hx8 s ASN 145 Cb 0.00 0.76 -0.08 0.00 -2.00 0.00 0.00 41.25 39.93 3hx8 s ASN 145 CO 0.01 -1.48 0.76 -0.55 -2.94 0.00 0.00 177.10 172.90 3hx8 s SER 146 N -3.03 6.67 0.33 3.54 0.15 -1.26 -1.42 113.70 118.68 3hx8 s SER 146 Ca 0.16 1.23 -0.00 0.00 0.70 0.00 0.00 55.95 58.04 3hx8 s SER 146 Cb -0.05 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 3hx8 s SER 146 CO 0.10 -0.29 0.54 -1.81 1.20 0.00 0.00 173.24 172.98 3hx8 s ASP 147 N -2.63 6.32 0.69 5.45 1.01 -0.74 -4.79 116.67 121.98 3hx8 s ASP 147 Ca 0.53 0.47 -0.15 0.00 0.71 0.00 0.00 52.55 54.11 3hx8 s ASP 147 Cb -0.10 -2.04 0.02 0.00 1.01 0.00 0.00 42.92 41.80 3hx8 s ASP 147 CO 0.23 -0.26 1.14 -2.16 0.21 0.00 0.00 175.17 174.33 3hx8 s PRO 148 N -4.16 2.55 0.00 8.23 0.04 -1.26 -4.87 135.00 135.52 3hx8 s PRO 148 Ca 0.40 1.53 0.27 0.00 0.04 0.00 0.00 61.00 63.23 3hx8 s PRO 148 Cb -0.10 -1.91 1.59 0.00 0.04 0.00 0.00 34.50 34.13 3hx8 s PRO 148 CO 0.35 -1.47 1.94 0.00 0.04 0.00 0.00 177.00 177.86