#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 4.37 0.63 1.61 0.74 -1.26 -5.09 119.66 120.67 3hx8 s GLN 23 Ca 0.00 0.61 -0.10 0.00 0.05 0.00 0.00 55.36 55.92 3hx8 s GLN 23 Cb 0.00 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 3hx8 s GLN 23 CO 0.00 0.11 1.02 -1.54 -0.55 0.00 0.00 175.29 174.33 3hx8 s SER 24 N 0.71 5.96 0.25 6.67 1.04 -1.26 -4.89 113.70 122.17 3hx8 s SER 24 Ca 0.30 1.25 -0.04 0.00 0.48 0.00 0.00 55.95 57.94 3hx8 s SER 24 Cb -0.16 -2.24 0.47 0.00 0.10 0.00 0.00 66.02 64.19 3hx8 s SER 24 CO 0.13 -1.00 1.73 0.00 0.98 0.00 0.00 173.24 175.08 3hx8 h ALA 25 N -0.36 1.08 -0.66 5.32 0.00 -1.98 0.13 119.26 122.78 3hx8 h ALA 25 Ca -0.45 0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.67 3hx8 h ALA 25 Cb 1.21 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3hx8 h ALA 25 CO 0.62 -0.22 0.30 -0.22 0.00 0.00 0.00 179.25 179.74 3hx8 h LYS 26 N 0.44 0.52 -0.54 0.00 3.64 -1.94 -0.24 116.57 118.44 3hx8 h LYS 26 Ca 0.42 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.66 3hx8 h LYS 26 Cb 0.65 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 3hx8 h LYS 26 CO -0.41 0.34 -0.10 0.93 -2.27 0.00 0.00 179.45 177.94 3hx8 h GLU 27 N 0.53 1.03 -0.76 1.90 5.08 -1.60 -1.13 114.58 119.63 3hx8 h GLU 27 Ca 0.32 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3hx8 h GLU 27 Cb 0.34 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3hx8 h GLU 27 CO -0.27 1.07 0.26 0.00 -1.00 0.00 0.00 179.01 179.07 3hx8 h ALA 28 N 0.93 1.02 -0.27 3.43 0.00 -0.32 -2.07 119.26 121.98 3hx8 h ALA 28 Ca 0.14 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3hx8 h ALA 28 Cb 0.67 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hx8 h ALA 28 CO 0.05 0.67 -0.40 0.82 0.00 0.00 0.00 179.25 180.39 3hx8 h ILE 29 N 1.12 1.29 -0.44 0.00 2.04 -0.93 -0.38 117.51 120.21 3hx8 h ILE 29 Ca 0.25 -1.56 0.06 0.00 1.00 0.00 0.00 64.86 64.60 3hx8 h ILE 29 Cb 0.28 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3hx8 h ILE 29 CO -0.01 0.50 0.14 -0.08 0.00 0.00 0.00 178.15 178.69 3hx8 h GLU 30 N 0.53 0.29 -0.52 2.37 4.57 -0.97 0.79 114.58 121.63 3hx8 h GLU 30 Ca 0.05 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 3hx8 h GLU 30 Cb 0.92 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 3hx8 h GLU 30 CO 0.08 0.19 -0.06 0.00 -1.18 0.00 0.00 179.01 178.04 3hx8 h ALA 31 N 1.30 0.91 -0.65 2.92 0.00 -1.05 -1.13 119.26 121.56 3hx8 h ALA 31 Ca 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hx8 h ALA 31 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hx8 h ALA 31 CO -0.23 0.64 0.40 0.00 0.00 0.00 0.00 179.25 180.06 3hx8 h ALA 32 N 1.08 0.82 -0.36 0.00 0.00 -0.77 -1.17 119.26 118.87 3hx8 h ALA 32 Ca 0.15 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3hx8 h ALA 32 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hx8 h ALA 32 CO 0.04 0.29 -0.20 -0.91 0.00 0.00 0.00 179.25 178.47 3hx8 h ASN 33 N 0.88 0.68 -0.42 0.00 2.35 -0.57 -0.14 115.58 118.35 3hx8 h ASN 33 Ca 0.23 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3hx8 h ASN 33 Cb -0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3hx8 h ASN 33 CO -0.04 0.88 0.27 0.00 -1.65 0.00 0.00 177.43 176.88 3hx8 h ALA 34 N 1.18 0.53 -0.56 -0.83 0.00 -0.97 -0.85 119.26 117.77 3hx8 h ALA 34 Ca 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hx8 h ALA 34 Cb 0.67 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3hx8 h ALA 34 CO 0.05 -0.03 0.27 -0.44 0.00 0.00 0.00 179.25 179.10 3hx8 h ASP 35 N 0.55 0.36 0.19 0.00 3.32 -0.78 -1.52 116.42 118.54 3hx8 h ASP 35 Ca 0.16 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3hx8 h ASP 35 Cb -0.05 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3hx8 h ASP 35 CO -0.04 0.24 -0.09 0.15 -1.72 0.00 0.00 179.24 177.77 3hx8 h PHE 36 N 0.50 -0.23 -0.58 4.55 3.04 -0.67 -1.63 116.94 121.93 3hx8 h PHE 36 Ca 0.26 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.11 3hx8 h PHE 36 Cb 0.21 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 3hx8 h PHE 36 CO -0.12 -0.12 -0.00 0.28 -2.02 0.00 0.00 178.31 176.33 3hx8 h VAL 37 N -0.28 1.27 -0.24 1.41 2.07 -1.09 -0.19 116.25 119.18 3hx8 h VAL 37 Ca -0.03 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.36 3hx8 h VAL 37 Cb 0.22 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3hx8 h VAL 37 CO 0.04 0.41 0.13 0.50 0.02 0.00 0.00 177.57 178.67 3hx8 h LYS 38 N 0.92 0.26 -0.50 1.57 3.64 -1.16 -0.49 116.57 120.82 3hx8 h LYS 38 Ca 0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3hx8 h LYS 38 Cb 0.56 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3hx8 h LYS 38 CO 0.03 0.17 0.27 0.00 -2.27 0.00 0.00 179.45 177.66 3hx8 h ALA 39 N 1.11 0.64 -0.18 5.00 0.00 -1.07 -1.21 119.26 123.56 3hx8 h ALA 39 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hx8 h ALA 39 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hx8 h ALA 39 CO -0.06 0.16 0.08 -0.92 0.00 0.00 0.00 179.25 178.51 3hx8 h TYR 40 N 0.67 0.26 0.00 0.00 3.20 -0.74 -1.25 116.97 119.11 3hx8 h TYR 40 Ca 0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3hx8 h TYR 40 Cb 0.05 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3hx8 h TYR 40 CO -0.02 0.31 0.00 0.09 -1.64 0.00 0.00 178.16 176.90 3hx8 n ASN 41 N -4.86 0.12 -0.28 -2.11 3.02 -0.22 -0.99 115.26 109.94 3hx8 n ASN 41 Ca -0.04 0.51 0.09 0.00 -0.03 0.00 0.00 54.58 55.11 3hx8 n ASN 41 Cb 0.11 -0.55 0.41 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.62 0.83 -3.81 6.41 7.64 -0.47 -4.95 113.62 117.66 3hx8 n SER 42 Ca 0.06 -1.62 -0.27 0.00 1.01 0.00 0.00 58.87 58.06 3hx8 n SER 42 Cb 0.33 -0.06 0.04 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.21 -5.75 -3.83 1.43 5.02 -0.17 -4.94 118.16 109.71 3hx8 n LYS 43 Ca 0.14 0.64 -0.32 0.00 -2.02 0.00 0.00 58.31 56.75 3hx8 n LYS 43 Cb 0.19 -5.48 -0.11 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 -3.61 4.95 0.26 4.39 -1.08 -0.50 -4.94 116.67 116.14 3hx8 s ASP 44 Ca 0.47 -3.33 -0.05 0.00 -0.52 0.00 0.00 52.55 49.13 3hx8 s ASP 44 Cb -0.23 -1.74 0.31 0.00 -1.46 0.00 0.00 42.92 39.80 3hx8 s ASP 44 CO 0.81 -0.22 1.92 0.00 0.52 0.00 0.00 175.17 178.20 3hx8 h ALA 45 N 6.24 1.32 -0.66 3.66 0.00 -1.91 -1.18 119.26 126.73 3hx8 h ALA 45 Ca 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hx8 h ALA 45 Cb 0.86 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3hx8 h ALA 45 CO 0.73 0.60 0.42 0.00 0.00 0.00 0.00 179.25 181.00 3hx8 h ALA 46 N 1.40 0.85 -0.79 0.00 0.00 -1.92 0.07 119.26 118.88 3hx8 h ALA 46 Ca 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3hx8 h ALA 46 Cb -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3hx8 h ALA 46 CO -0.11 0.20 0.41 0.78 0.00 0.00 0.00 179.25 180.53 3hx8 h GLY 47 N 0.83 1.19 0.75 0.00 0.00 -1.78 -0.76 103.07 103.31 3hx8 h GLY 47 Ca 0.26 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3hx8 h GLY 47 CO -0.09 0.54 0.01 -2.08 0.00 0.00 0.00 176.54 174.91 3hx8 h VAL 48 N 1.10 1.23 -0.03 4.60 2.07 -0.78 -3.10 116.25 121.34 3hx8 h VAL 48 Ca 0.27 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3hx8 h VAL 48 Cb 0.07 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3hx8 h VAL 48 CO -0.04 0.19 -0.07 0.00 0.02 0.00 0.00 177.57 177.68 3hx8 h ALA 49 N 0.75 1.84 0.00 1.67 0.00 -0.82 -1.71 119.26 120.99 3hx8 h ALA 49 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hx8 h ALA 49 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hx8 h ALA 49 CO 0.00 0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.80 3hx8 n SER 50 N -4.44 0.30 -0.00 0.00 7.64 -0.31 -1.21 113.62 115.60 3hx8 n SER 50 Ca -0.02 0.59 0.14 0.00 1.01 0.00 0.00 58.87 60.59 3hx8 n SER 50 Cb 0.16 -0.65 0.69 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.85 0.24 0.00 1.43 4.76 -0.64 -5.04 118.16 117.06 3hx8 n LYS 51 Ca 0.02 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3hx8 n LYS 51 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.38 0.00 -0.03 2.13 4.02 -0.35 -0.92 117.16 120.63 3hx8 n TYR 52 Ca 0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.83 3hx8 n TYR 52 Cb 0.29 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.47 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 1.65 -1.86 7.72 9.92 -1.26 -4.84 116.55 127.89 3hx8 n ASP 54 Ca 0.00 0.18 -0.11 0.00 -0.53 0.00 0.00 54.79 54.33 3hx8 n ASP 54 Cb 0.00 -0.46 0.24 0.00 -0.64 0.00 0.00 41.12 40.26 3hx8 n ASP 54 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3hx8 n ASP 55 N -3.29 3.96 -4.64 -2.24 5.75 -1.26 -1.54 116.55 113.29 3hx8 n ASP 55 Ca -0.31 -3.45 -0.29 0.00 -0.01 0.00 0.00 54.79 50.73 3hx8 n ASP 55 Cb 1.05 -0.75 0.18 0.00 -1.03 0.00 0.00 41.12 40.58 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 -3.14 0.78 0.00 2.12 0.00 -1.26 -4.70 121.76 115.56 3hx8 s ALA 56 Ca 0.53 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.38 3hx8 s ALA 56 Cb 0.44 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 3hx8 s ALA 56 CO 0.10 -2.96 -0.02 0.00 0.00 0.00 0.00 175.76 172.87 3hx8 s ALA 57 N -2.79 0.17 0.10 0.00 0.00 -0.35 -0.67 121.76 118.23 3hx8 s ALA 57 Ca 0.66 -0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.54 3hx8 s ALA 57 Cb -0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3hx8 s ALA 57 CO 0.59 0.02 -0.15 0.00 0.00 0.00 0.00 175.76 176.23 3hx8 s ALA 58 N -0.21 2.78 -0.54 0.00 0.00 0.16 -1.55 121.76 122.40 3hx8 s ALA 58 Ca -0.01 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.74 3hx8 s ALA 58 Cb -0.02 -0.77 0.23 0.00 0.00 0.00 0.00 23.12 22.56 3hx8 s ALA 58 CO -0.00 0.61 0.61 1.19 0.00 0.00 0.00 175.76 178.17 3hx8 n PHE 59 N 0.92 1.85 -2.40 0.00 3.01 0.15 -0.96 117.46 120.02 3hx8 n PHE 59 Ca -0.15 -3.90 -0.41 0.00 1.01 0.00 0.00 57.45 54.00 3hx8 n PHE 59 Cb 0.52 -0.43 -0.04 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.72 4.53 0.35 -1.08 0.04 -1.26 -3.98 135.00 131.87 3hx8 s PRO 60 Ca 0.36 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 3hx8 s PRO 60 Cb 0.13 -3.23 -0.11 0.00 0.04 0.00 0.00 34.50 31.33 3hx8 s PRO 60 CO -0.08 -0.01 1.49 -1.25 0.04 0.00 0.00 177.00 177.19 3hx8 s PRO 61 N -0.57 4.15 -0.94 0.56 0.04 -1.26 -4.61 135.00 132.37 3hx8 s PRO 61 Ca 0.51 2.52 -0.01 0.00 0.04 0.00 0.00 61.00 64.06 3hx8 s PRO 61 Cb -0.32 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3hx8 s PRO 61 CO 0.38 -0.51 0.79 -0.25 0.04 0.00 0.00 177.00 177.45 3hx8 n ASP 62 N 0.99 -2.54 -4.92 6.66 8.00 -1.26 -5.17 116.55 118.31 3hx8 n ASP 62 Ca 0.03 -0.50 -0.29 0.00 0.71 0.00 0.00 54.79 54.74 3hx8 n ASP 62 Cb 0.39 -4.19 -0.04 0.00 -0.02 0.00 0.00 41.12 37.26 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 -3.29 3.84 0.38 2.24 0.00 -1.26 -5.30 121.76 118.37 3hx8 s ALA 64 Ca 0.05 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 3hx8 s ALA 64 Cb -0.01 -2.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.98 3hx8 s ALA 64 CO 0.58 0.54 0.84 -2.13 0.00 0.00 0.00 175.76 175.59 3hx8 n ARG 65 N -0.37 1.04 -4.12 0.00 0.63 -1.26 -4.57 116.66 108.01 3hx8 n ARG 65 Ca -0.04 0.37 -0.33 0.00 -0.92 0.00 0.00 57.85 56.93 3hx8 n ARG 65 Cb 0.53 -1.77 -0.16 0.00 0.45 0.00 0.00 32.46 31.51 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 -1.27 2.07 -0.14 5.15 1.01 -0.14 -5.01 120.40 122.08 3hx8 s VAL 66 Ca 0.62 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3hx8 s VAL 66 Cb -0.63 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3hx8 s VAL 66 CO 0.58 0.49 -0.08 -1.81 0.00 0.00 0.00 175.10 174.28 3hx8 s ASP 67 N 1.27 4.43 0.00 3.32 1.01 -1.26 -0.66 116.67 124.79 3hx8 s ASP 67 Ca 0.04 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.09 3hx8 s ASP 67 Cb -0.14 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.13 3hx8 s ASP 67 CO -0.12 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.05 3hx8 n GLY 68 N 3.44 0.64 0.26 0.21 0.00 0.16 -4.38 105.19 105.51 3hx8 n GLY 68 Ca -0.18 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 0.66 -0.78 1.61 2.43 -1.53 -0.79 114.38 115.99 3hx8 h ARG 69 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3hx8 h ARG 69 Cb 0.00 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3hx8 h ARG 69 CO 0.00 0.44 0.32 1.96 -1.51 0.00 0.00 179.97 181.18 3hx8 h GLN 70 N 0.68 1.15 -0.04 0.20 7.50 -1.88 -0.26 115.11 122.47 3hx8 h GLN 70 Ca 0.31 -0.20 -0.14 0.00 0.50 0.00 0.00 58.65 59.12 3hx8 h GLN 70 Cb 0.22 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 3hx8 h GLN 70 CO -0.20 0.93 -0.63 -0.91 -1.50 0.00 0.00 178.83 176.51 3hx8 h ASN 71 N 1.12 0.16 -0.74 1.46 2.35 -1.66 -2.85 115.58 115.41 3hx8 h ASN 71 Ca 0.26 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3hx8 h ASN 71 Cb 0.19 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3hx8 h ASN 71 CO -0.02 0.75 0.31 0.40 -1.65 0.00 0.00 177.43 177.22 3hx8 h ILE 72 N 0.10 1.25 -0.60 2.81 2.04 -0.67 -1.38 117.51 121.06 3hx8 h ILE 72 Ca -0.01 -0.76 0.09 0.00 1.00 0.00 0.00 64.86 65.18 3hx8 h ILE 72 Cb 1.14 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 3hx8 h ILE 72 CO 0.09 0.31 0.21 -0.61 0.00 0.00 0.00 178.15 178.16 3hx8 h GLN 73 N 1.08 0.38 -0.49 2.37 4.15 -0.84 -1.25 115.11 120.52 3hx8 h GLN 73 Ca 0.25 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 3hx8 h GLN 73 Cb 0.18 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3hx8 h GLN 73 CO -0.02 0.25 -0.01 0.87 -1.93 0.00 0.00 178.83 177.99 3hx8 h LYS 74 N 0.39 0.82 0.06 1.69 1.57 -1.20 -0.20 116.57 119.70 3hx8 h LYS 74 Ca 0.30 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3hx8 h LYS 74 Cb 0.37 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3hx8 h LYS 74 CO -0.31 0.83 -0.17 1.25 -0.57 0.00 0.00 179.45 180.48 3hx8 h LEU 75 N 0.77 -0.49 -0.67 2.94 5.85 -0.84 -0.96 115.31 121.91 3hx8 h LEU 75 Ca 0.15 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.79 3hx8 h LEU 75 Cb 0.47 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3hx8 h LEU 75 CO 0.02 -0.24 -0.59 -0.50 -0.34 0.00 0.00 178.44 176.79 3hx8 h TRP 76 N -0.31 0.31 -0.89 1.25 -0.00 -0.84 -2.03 115.95 113.44 3hx8 h TRP 76 Ca 0.04 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.89 58.79 3hx8 h TRP 76 Cb 0.35 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.16 29.42 3hx8 h TRP 76 CO -0.20 0.77 0.48 0.37 -0.00 0.00 0.00 178.44 179.86 3hx8 h GLN 77 N 0.18 1.24 -0.61 0.49 5.75 -0.94 -2.65 115.11 118.57 3hx8 h GLN 77 Ca -0.00 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 3hx8 h GLN 77 Cb 1.09 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 3hx8 h GLN 77 CO 0.09 0.92 0.15 0.78 -2.65 0.00 0.00 178.83 178.12 3hx8 h GLY 78 N 1.25 1.04 -1.15 2.39 0.00 -0.76 0.76 103.07 106.61 3hx8 h GLY 78 Ca 0.31 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hx8 h GLY 78 CO -0.05 0.61 0.00 0.00 0.00 0.00 0.00 176.54 177.10 3hx8 n ALA 79 N -2.42 0.97 -2.42 3.60 0.00 -0.80 -4.73 120.51 114.71 3hx8 n ALA 79 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 3hx8 n ALA 79 Cb 0.24 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 0.52 -0.56 -0.33 0.00 8.00 0.26 -1.90 116.55 122.54 3hx8 n ASP 81 Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3hx8 n ASP 81 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -0.66 -0.22 3.70 0.44 0.00 -1.26 -5.23 105.19 101.95 3hx8 n GLY 83 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 3.53 0.23 -0.61 1.01 -0.80 -4.73 121.20 119.83 3hx8 s ILE 84 Ca 0.00 1.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.63 3hx8 s ILE 84 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3hx8 s ILE 84 CO 0.00 0.04 0.27 -0.94 0.00 0.00 0.00 174.94 174.31 3hx8 s SER 85 N 1.48 0.16 -1.14 3.58 1.04 0.20 -4.95 113.70 114.06 3hx8 s SER 85 Ca 0.64 -1.25 -0.06 0.00 0.48 0.00 0.00 55.95 55.76 3hx8 s SER 85 Cb -0.34 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3hx8 s SER 85 CO 0.29 -0.97 0.89 -0.62 0.98 0.00 0.00 173.24 173.80 3hx8 n GLU 86 N -0.34 -3.53 -2.39 4.02 -0.58 -1.26 -0.72 120.64 115.84 3hx8 n GLU 86 Ca 0.01 0.77 -0.42 0.00 -0.42 0.00 0.00 57.16 57.10 3hx8 n GLU 86 Cb 0.64 -5.51 -0.03 0.00 -0.57 0.00 0.00 31.44 25.97 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 -5.96 4.42 -0.02 -4.62 2.96 -1.26 -4.15 118.68 110.04 3hx8 s LEU 87 Ca 0.29 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.35 3hx8 s LEU 87 Cb -0.05 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3hx8 s LEU 87 CO 0.77 -0.42 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.82 3hx8 s LYS 88 N 0.34 0.40 0.01 1.98 3.01 -0.11 -4.97 119.74 120.40 3hx8 s LYS 88 Ca 0.56 -0.05 0.08 0.00 -1.01 0.00 0.00 55.97 55.55 3hx8 s LYS 88 Cb -0.31 -0.47 -0.03 0.00 -1.01 0.00 0.00 37.83 36.01 3hx8 s LYS 88 CO 0.33 -0.03 -0.24 -0.51 0.51 0.00 0.00 175.35 175.41 3hx8 s LEU 89 N 0.54 2.25 -0.19 3.17 1.43 -1.26 -1.40 118.68 123.21 3hx8 s LEU 89 Ca -0.06 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3hx8 s LEU 89 Cb -0.09 -1.37 0.05 0.00 0.03 0.00 0.00 46.19 44.81 3hx8 s LEU 89 CO -0.01 0.30 -0.04 -0.89 0.23 0.00 0.00 176.35 175.94 3hx8 s THR 90 N -0.73 1.12 -0.05 5.49 2.01 0.49 -5.01 115.64 118.96 3hx8 s THR 90 Ca 0.11 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 3hx8 s THR 90 Cb -0.10 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 3hx8 s THR 90 CO 0.01 0.03 1.23 -0.89 -0.69 0.00 0.00 174.62 174.31 3hx8 s THR 91 N 1.61 4.16 -0.08 -0.82 2.01 -1.26 -0.89 115.64 120.38 3hx8 s THR 91 Ca -0.01 1.50 0.17 0.00 0.31 0.00 0.00 61.69 63.65 3hx8 s THR 91 Cb -0.16 -3.96 -0.25 0.00 0.01 0.00 0.00 72.50 68.13 3hx8 s THR 91 CO -0.07 -0.00 0.27 0.18 -0.69 0.00 0.00 174.62 174.30 3hx8 n LEU 92 N 5.24 0.00 -3.65 4.42 4.77 0.18 -4.97 117.00 123.00 3hx8 n LEU 92 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3hx8 n LEU 92 Cb 0.46 0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 3hx8 n LEU 92 CO 0.56 0.15 0.34 -0.62 -1.33 0.00 0.00 177.39 176.50 3hx8 s ASP 93 N -4.43 -0.74 -0.03 -1.43 2.15 -0.95 -4.98 116.67 106.26 3hx8 s ASP 93 Ca -0.07 1.36 0.00 0.00 0.43 0.00 0.00 52.55 54.27 3hx8 s ASP 93 Cb 0.09 1.34 0.03 0.00 -0.30 0.00 0.00 42.92 44.07 3hx8 s ASP 93 CO 0.72 -0.23 0.00 -0.69 -0.17 0.00 0.00 175.17 174.80 3hx8 s VAL 94 N 0.67 0.19 -0.04 1.11 1.01 -1.26 -1.21 120.40 120.86 3hx8 s VAL 94 Ca -0.03 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3hx8 s VAL 94 Cb -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 3hx8 s VAL 94 CO -0.04 0.16 -0.16 -1.10 0.00 0.00 0.00 175.10 173.95 3hx8 s GLN 95 N 1.14 1.66 -0.04 2.72 -0.21 -0.14 -4.99 119.66 119.80 3hx8 s GLN 95 Ca -0.08 -0.57 -0.01 0.00 0.02 0.00 0.00 55.36 54.71 3hx8 s GLN 95 Cb -0.13 -1.46 -0.04 0.00 1.00 0.00 0.00 33.01 32.38 3hx8 s GLN 95 CO -0.02 0.24 0.05 -2.00 -2.12 0.00 0.00 175.29 171.44 3hx8 s GLU 96 N 0.02 3.02 -0.40 2.91 2.12 -1.26 -0.91 118.70 124.20 3hx8 s GLU 96 Ca -0.03 -0.45 0.04 0.00 0.36 0.00 0.00 54.97 54.88 3hx8 s GLU 96 Cb -0.11 -2.84 0.16 0.00 0.26 0.00 0.00 34.13 31.61 3hx8 s GLU 96 CO 0.02 0.67 0.39 0.45 -0.54 0.00 0.00 175.26 176.25 3hx8 s SER 97 N -1.40 1.17 1.55 -1.70 0.15 0.79 -4.97 113.70 109.29 3hx8 s SER 97 Ca 0.19 -2.26 0.00 0.00 0.70 0.00 0.00 55.95 54.58 3hx8 s SER 97 Cb -0.12 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 3hx8 s SER 97 CO 0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.94 3hx8 n GLY 98 N 3.50 2.90 1.45 9.45 0.00 -1.26 -1.87 105.19 119.35 3hx8 n GLY 98 Ca 0.19 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3hx8 n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hx8 n ASP 99 N 7.75 4.24 -4.40 1.61 5.68 -1.26 -4.83 116.55 125.33 3hx8 n ASP 99 Ca 0.00 -2.59 -0.23 0.00 -0.50 0.00 0.00 54.79 51.47 3hx8 n ASP 99 Cb 0.00 -0.60 -0.11 0.00 -1.14 0.00 0.00 41.12 39.27 3hx8 n ASP 99 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3hx8 s PHE 100 N -2.16 2.06 0.07 2.11 0.40 -0.78 -0.87 117.98 118.81 3hx8 s PHE 100 Ca 0.39 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 56.16 3hx8 s PHE 100 Cb 0.29 -0.96 0.02 0.00 0.51 0.00 0.00 43.02 42.88 3hx8 s PHE 100 CO 0.13 0.51 0.33 0.00 0.70 0.00 0.00 175.22 176.89 3hx8 s ALA 101 N -2.35 -0.72 0.04 5.36 0.00 -0.53 -0.15 121.76 123.41 3hx8 s ALA 101 Ca 0.23 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.16 3hx8 s ALA 101 Cb -0.05 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3hx8 s ALA 101 CO 0.10 -0.50 -0.13 -0.59 0.00 0.00 0.00 175.76 174.64 3hx8 s PHE 102 N -3.13 1.15 -0.02 0.00 -0.71 -0.09 -0.54 117.98 114.64 3hx8 s PHE 102 Ca -0.01 -0.35 0.04 0.00 -1.04 0.00 0.00 56.93 55.57 3hx8 s PHE 102 Cb 0.01 -0.69 -0.01 0.00 -1.21 0.00 0.00 43.02 41.13 3hx8 s PHE 102 CO -0.07 0.02 -0.15 -2.00 -1.34 0.00 0.00 175.22 171.68 3hx8 s GLU 103 N -1.11 1.40 0.17 1.99 2.12 0.20 -0.97 118.70 122.52 3hx8 s GLU 103 Ca 0.01 -0.54 0.07 0.00 0.36 0.00 0.00 54.97 54.86 3hx8 s GLU 103 Cb -0.08 -1.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 3hx8 s GLU 103 CO 0.01 0.28 -0.14 -1.54 -0.54 0.00 0.00 175.26 173.33 3hx8 s SER 104 N -0.16 2.33 0.00 -1.70 1.04 -0.35 -0.76 113.70 114.10 3hx8 s SER 104 Ca 0.02 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.48 3hx8 s SER 104 Cb -0.08 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.94 3hx8 s SER 104 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3hx8 n GLY 105 N -0.11 0.65 3.36 7.32 0.00 -0.87 -0.64 105.19 114.89 3hx8 n GLY 105 Ca -0.10 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 0.74 2.96 0.19 1.61 1.04 -0.07 -1.13 113.70 119.04 3hx8 s SER 106 Ca 0.00 -0.81 0.08 0.00 0.48 0.00 0.00 55.95 55.70 3hx8 s SER 106 Cb 0.00 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 3hx8 s SER 106 CO 0.00 0.06 -0.15 0.72 0.98 0.00 0.00 173.24 174.85 3hx8 s PHE 107 N -1.62 1.70 0.01 5.02 -0.12 -0.57 -0.38 117.98 122.02 3hx8 s PHE 107 Ca 0.15 -0.55 -0.05 0.00 -0.05 0.00 0.00 56.93 56.43 3hx8 s PHE 107 Cb -0.08 -0.81 -0.00 0.00 -0.63 0.00 0.00 43.02 41.50 3hx8 s PHE 107 CO 0.07 0.33 0.09 -1.54 -0.05 0.00 0.00 175.22 174.12 3hx8 s SER 108 N -3.07 0.08 0.35 1.98 1.04 -0.50 -1.74 113.70 111.84 3hx8 s SER 108 Ca 0.19 -0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.18 3hx8 s SER 108 Cb -0.02 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.32 3hx8 s SER 108 CO 0.06 -0.34 0.78 -1.48 0.98 0.00 0.00 173.24 173.24 3hx8 s LEU 109 N -1.34 -0.07 -0.17 2.42 0.05 -0.50 -0.93 118.68 118.13 3hx8 s LEU 109 Ca -0.14 -0.99 -0.05 0.00 0.05 0.00 0.00 54.13 52.99 3hx8 s LEU 109 Cb -0.08 2.81 -0.03 0.00 -2.05 0.00 0.00 46.19 46.83 3hx8 s LEU 109 CO 0.01 -1.59 0.01 -0.54 -0.55 0.00 0.00 176.35 173.69 3hx8 s LYS 110 N -2.76 3.80 0.02 1.48 -0.14 0.10 -0.91 119.74 121.33 3hx8 s LYS 110 Ca 0.14 -0.44 -0.07 0.00 -1.36 0.00 0.00 55.97 54.24 3hx8 s LYS 110 Cb -0.05 -3.07 -0.00 0.00 -1.68 0.00 0.00 37.83 33.03 3hx8 s LYS 110 CO 0.10 0.22 0.13 0.00 -0.76 0.00 0.00 175.35 175.04 3hx8 s ALA 111 N 0.45 -0.21 0.19 5.17 0.00 -0.42 -0.63 121.76 126.31 3hx8 s ALA 111 Ca -0.00 -0.34 -0.33 0.00 0.00 0.00 0.00 51.96 51.29 3hx8 s ALA 111 Cb -0.13 0.20 -0.13 0.00 0.00 0.00 0.00 23.12 23.05 3hx8 s ALA 111 CO 0.02 -0.28 1.65 -2.30 0.00 0.00 0.00 175.76 174.86 3hx8 n PRO 112 N 1.05 2.49 -0.26 0.00 -0.02 -1.26 -1.25 135.00 135.75 3hx8 n PRO 112 Ca -0.21 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3hx8 n PRO 112 Cb 0.57 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3hx8 n PRO 112 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hx8 n GLY 113 N 3.68 0.49 0.23 -1.23 0.00 0.57 -4.83 105.19 104.10 3hx8 n GLY 113 Ca 0.16 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 1.57 -1.94 -0.55 116.57 116.68 3hx8 h LYS 114 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hx8 h LYS 114 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hx8 h LYS 114 CO 0.00 0.20 0.00 -0.40 -0.57 0.00 0.00 179.45 178.68 3hx8 n ASP 115 N -4.09 3.27 0.00 0.86 5.75 -1.26 -4.94 116.55 116.15 3hx8 n ASP 115 Ca -0.02 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 3hx8 n ASP 115 Cb 0.27 -0.44 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 0.80 -1.13 -4.86 -1.12 7.64 -0.21 -5.00 113.62 109.72 3hx8 n SER 116 Ca 0.18 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.72 3hx8 n SER 116 Cb 0.60 -1.11 -0.05 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.47 3.80 0.22 1.43 1.02 -1.26 -4.56 119.74 119.92 3hx8 s LYS 117 Ca 0.00 0.24 -0.31 0.00 0.02 0.00 0.00 55.97 55.92 3hx8 s LYS 117 Cb 0.00 -2.94 -0.10 0.00 -0.52 0.00 0.00 37.83 34.27 3hx8 s LYS 117 CO 0.00 0.51 1.50 -0.51 -0.92 0.00 0.00 175.35 175.93 3hx8 s LEU 118 N -2.07 4.38 0.04 3.17 1.43 -1.26 -0.32 118.68 124.05 3hx8 s LEU 118 Ca 0.36 2.67 -0.01 0.00 -1.03 0.00 0.00 54.13 56.12 3hx8 s LEU 118 Cb -0.14 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3hx8 s LEU 118 CO 0.19 -0.76 -0.03 0.68 0.23 0.00 0.00 176.35 176.65 3hx8 s VAL 119 N 0.43 0.22 0.16 -1.59 -7.23 -0.38 -4.87 120.40 107.15 3hx8 s VAL 119 Ca 0.64 -1.57 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 3hx8 s VAL 119 Cb -0.43 -1.19 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 3hx8 s VAL 119 CO 0.39 -0.85 1.51 -1.81 -0.31 0.00 0.00 175.10 174.03 3hx8 s ASP 120 N -2.53 6.65 0.02 4.85 1.01 -1.26 -1.30 116.67 124.11 3hx8 s ASP 120 Ca 0.01 2.56 0.05 0.00 0.71 0.00 0.00 52.55 55.88 3hx8 s ASP 120 Cb 0.03 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3hx8 s ASP 120 CO -0.07 -0.77 -0.14 0.00 0.21 0.00 0.00 175.17 174.40 3hx8 s ALA 121 N 0.99 1.14 0.06 5.23 0.00 -0.08 -4.92 121.76 124.18 3hx8 s ALA 121 Ca 0.68 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.93 3hx8 s ALA 121 Cb -0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3hx8 s ALA 121 CO 0.32 0.24 -0.08 0.00 0.00 0.00 0.00 175.76 176.25 3hx8 s ALA 122 N -0.64 0.75 0.00 0.00 0.00 -1.26 -1.41 121.76 119.20 3hx8 s ALA 122 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3hx8 s ALA 122 Cb -0.07 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3hx8 s ALA 122 CO 0.01 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3hx8 n GLY 123 N 0.87 1.96 3.12 0.00 0.00 -0.71 -1.66 105.19 108.77 3hx8 n GLY 123 Ca -0.19 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 1.36 0.69 0.07 1.61 -2.85 -0.44 -1.50 119.74 118.69 3hx8 s LYS 124 Ca 0.00 -1.04 -0.07 0.00 -1.00 0.00 0.00 55.97 53.87 3hx8 s LYS 124 Cb 0.00 -0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 35.46 3hx8 s LYS 124 CO 0.00 0.03 0.14 1.52 0.10 0.00 0.00 175.35 177.14 3hx8 s TYR 125 N -2.37 0.22 -0.06 1.78 -0.85 -0.28 -1.52 117.35 114.27 3hx8 s TYR 125 Ca 0.01 -0.65 0.03 0.00 -0.52 0.00 0.00 57.07 55.93 3hx8 s TYR 125 Cb -0.03 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.19 3hx8 s TYR 125 CO -0.02 -0.49 -0.13 0.08 -1.52 0.00 0.00 175.55 173.48 3hx8 s VAL 126 N -3.68 1.17 -0.08 -3.49 1.01 -0.56 -2.05 120.40 112.72 3hx8 s VAL 126 Ca 0.04 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3hx8 s VAL 126 Cb 0.05 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 3hx8 s VAL 126 CO -0.10 0.36 -0.23 -0.69 0.00 0.00 0.00 175.10 174.44 3hx8 s VAL 127 N 0.48 1.94 -0.27 2.92 1.01 0.06 -2.05 120.40 124.50 3hx8 s VAL 127 Ca -0.11 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 3hx8 s VAL 127 Cb -0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3hx8 s VAL 127 CO 0.03 0.54 0.50 -0.69 0.00 0.00 0.00 175.10 175.48 3hx8 s VAL 128 N 0.24 5.07 0.07 2.92 1.01 0.23 -0.63 120.40 129.31 3hx8 s VAL 128 Ca -0.14 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.67 3hx8 s VAL 128 Cb -0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3hx8 s VAL 128 CO 0.07 0.08 0.17 0.26 0.00 0.00 0.00 175.10 175.68 3hx8 s TRP 129 N 2.30 3.43 0.00 5.22 0.52 0.30 -0.39 118.94 130.32 3hx8 s TRP 129 Ca 0.21 0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.56 3hx8 s TRP 129 Cb -0.16 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 3hx8 s TRP 129 CO 0.09 0.57 -0.10 0.50 0.02 0.00 0.00 176.95 178.03 3hx8 s ARG 130 N -2.48 0.79 -0.28 4.98 3.52 -0.13 -1.45 118.95 123.90 3hx8 s ARG 130 Ca 0.33 -0.41 -0.19 0.00 -0.13 0.00 0.00 55.73 55.34 3hx8 s ARG 130 Cb -0.13 -0.76 -0.02 0.00 -1.56 0.00 0.00 34.95 32.48 3hx8 s ARG 130 CO 0.26 0.20 0.54 0.21 -0.81 0.00 0.00 175.30 175.71 3hx8 s LYS 131 N -0.39 3.98 0.87 5.12 2.20 -0.05 -0.65 119.74 130.82 3hx8 s LYS 131 Ca 0.03 0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 55.79 3hx8 s LYS 131 Cb -0.04 -3.69 0.11 0.00 -1.51 0.00 0.00 37.83 32.70 3hx8 s LYS 131 CO -0.00 -0.43 1.10 0.20 -0.36 0.00 0.00 175.35 175.86 3hx8 s GLY 132 N 1.59 1.61 0.35 5.54 0.00 -0.03 -4.89 107.32 111.49 3hx8 s GLY 132 Ca 0.22 -0.21 0.08 0.00 0.00 0.00 0.00 44.72 44.80 3hx8 s GLY 132 CO 0.10 0.27 1.87 -1.61 0.00 0.00 0.00 173.10 173.73 3hx8 h GLN 133 N -1.38 0.71 0.00 2.90 4.15 -1.97 -0.78 115.11 118.75 3hx8 h GLN 133 Ca -0.49 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3hx8 h GLN 133 Cb 1.29 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.82 3hx8 h GLN 133 CO 0.58 0.47 0.00 -0.40 -1.93 0.00 0.00 178.83 177.55 3hx8 n ASP 134 N -4.57 0.00 0.00 -0.69 5.75 -1.26 -4.83 116.55 110.95 3hx8 n ASP 134 Ca 0.17 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 3hx8 n ASP 134 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3hx8 n ASP 134 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hx8 n GLY 135 N 0.20 1.42 3.63 6.12 0.00 -0.30 -5.00 105.19 111.27 3hx8 n GLY 135 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.84 1.93 0.07 -0.02 0.00 -1.25 -4.74 107.32 101.47 3hx8 s GLY 136 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 3hx8 s GLY 136 CO 0.00 1.10 1.16 -0.98 0.00 0.00 0.00 173.10 174.38 3hx8 s TRP 137 N 1.99 3.48 0.09 1.90 0.52 -1.26 -0.85 118.94 124.81 3hx8 s TRP 137 Ca 0.20 1.39 0.05 0.00 0.02 0.00 0.00 56.10 57.76 3hx8 s TRP 137 Cb -0.15 -3.37 -0.03 0.00 -1.15 0.00 0.00 33.47 28.77 3hx8 s TRP 137 CO 0.09 -1.04 -0.13 0.15 0.02 0.00 0.00 176.95 176.04 3hx8 s LYS 138 N 0.90 0.88 0.26 4.98 1.02 0.18 -4.94 119.74 123.01 3hx8 s LYS 138 Ca 0.57 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 3hx8 s LYS 138 Cb -0.28 -0.78 -0.09 0.00 -0.52 0.00 0.00 37.83 36.16 3hx8 s LYS 138 CO 0.30 0.16 1.23 -0.51 -0.92 0.00 0.00 175.35 175.60 3hx8 s LEU 139 N -2.10 4.46 -0.05 3.17 1.02 -0.10 -0.96 118.68 124.13 3hx8 s LEU 139 Ca 0.03 2.41 -0.01 0.00 0.02 0.00 0.00 54.13 56.58 3hx8 s LEU 139 Cb -0.07 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.49 3hx8 s LEU 139 CO 0.02 -0.39 -0.05 0.00 0.02 0.00 0.00 176.35 175.95 3hx8 n TYR 140 N 1.70 0.00 -4.32 0.29 9.36 0.48 -4.45 117.16 120.22 3hx8 n TYR 140 Ca 0.02 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.01 3hx8 n TYR 140 Cb 0.43 -0.17 -0.17 0.00 -0.63 0.00 0.00 39.34 38.81 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 -2.09 1.30 -0.19 2.98 1.81 -0.63 -1.21 118.95 120.92 3hx8 s ARG 141 Ca -0.06 -0.26 -0.00 0.00 -1.72 0.00 0.00 55.73 53.69 3hx8 s ARG 141 Cb 0.02 -1.19 0.05 0.00 -0.45 0.00 0.00 34.95 33.38 3hx8 s ARG 141 CO 0.09 -0.06 -0.06 0.34 -0.68 0.00 0.00 175.30 174.94 3hx8 s ASP 142 N 0.92 3.23 0.01 0.23 2.15 -0.60 -0.60 116.67 122.02 3hx8 s ASP 142 Ca -0.10 -0.86 0.01 0.00 0.43 0.00 0.00 52.55 52.02 3hx8 s ASP 142 Cb -0.15 -1.03 -0.01 0.00 -0.30 0.00 0.00 42.92 41.43 3hx8 s ASP 142 CO 0.01 -0.20 -0.04 -0.51 -0.17 0.00 0.00 175.17 174.26 3hx8 s ILE 143 N 1.54 0.26 0.20 4.11 2.07 -0.87 -0.68 121.20 127.82 3hx8 s ILE 143 Ca -0.02 -0.51 -0.16 0.00 -1.41 0.00 0.00 60.65 58.55 3hx8 s ILE 143 Cb -0.17 -0.29 0.02 0.00 0.13 0.00 0.00 42.46 42.15 3hx8 s ILE 143 CO -0.07 -0.17 0.49 -1.66 -1.91 0.00 0.00 174.94 171.62 3hx8 s TRP 144 N -0.68 -0.01 0.36 3.50 -2.14 -1.26 -1.50 118.94 117.22 3hx8 s TRP 144 Ca -0.05 -0.35 -0.14 0.00 2.66 0.00 0.00 56.10 58.21 3hx8 s TRP 144 Cb -0.05 0.32 0.04 0.00 -3.10 0.00 0.00 33.47 30.68 3hx8 s TRP 144 CO -0.00 -0.91 0.72 0.54 -2.66 0.00 0.00 176.95 174.63 3hx8 s ASN 145 N -2.90 0.10 0.37 -2.66 2.20 -0.58 -4.35 114.94 107.12 3hx8 s ASN 145 Ca 0.12 -1.11 -0.10 0.00 -0.94 0.00 0.00 52.86 50.83 3hx8 s ASN 145 Cb -0.01 0.79 -0.06 0.00 -2.00 0.00 0.00 41.25 39.97 3hx8 s ASN 145 CO -0.01 -1.55 0.71 -0.44 -2.94 0.00 0.00 177.10 172.87 3hx8 s SER 146 N -3.07 6.53 0.41 3.54 0.01 -1.26 -1.32 113.70 118.54 3hx8 s SER 146 Ca 0.17 1.05 0.03 0.00 1.31 0.00 0.00 55.95 58.52 3hx8 s SER 146 Cb -0.04 -2.29 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 3hx8 s SER 146 CO 0.12 -0.33 0.60 -1.81 0.41 0.00 0.00 173.24 172.23 3hx8 s ASP 147 N -3.06 5.82 0.68 2.44 1.11 -0.66 -4.78 116.67 118.21 3hx8 s ASP 147 Ca 0.50 0.03 -0.12 0.00 0.18 0.00 0.00 52.55 53.14 3hx8 s ASP 147 Cb -0.10 -1.30 0.00 0.00 1.07 0.00 0.00 42.92 42.59 3hx8 s ASP 147 CO 0.30 -0.65 1.07 -2.16 1.18 0.00 0.00 175.17 174.91 3hx8 s PRO 148 N -4.42 2.90 0.00 8.23 0.04 -1.26 -4.90 135.00 135.59 3hx8 s PRO 148 Ca 0.48 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3hx8 s PRO 148 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3hx8 s PRO 148 CO 0.35 -1.13 0.07 0.00 0.04 0.00 0.00 177.00 176.33