#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8o h ALA 3 N 0.00 1.28 -0.51 -1.67 0.00 -1.85 0.36 119.26 116.86 1i8o h ALA 3 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1i8o h ALA 3 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1i8o h ALA 3 CO 0.00 0.57 -0.00 0.87 0.00 0.00 0.00 179.25 180.69 1i8o h LYS 4 N 1.04 0.90 -0.63 0.00 1.57 -1.95 -1.16 116.57 116.34 1i8o h LYS 4 Ca 0.26 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1i8o h LYS 4 Cb 0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1i8o h LYS 4 CO -0.04 0.93 0.37 0.00 -0.57 0.00 0.00 179.45 180.14 1i8o h ALA 5 N 0.94 1.46 0.00 3.86 0.00 -1.80 -2.36 119.26 121.36 1i8o h ALA 5 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1i8o h ALA 5 Cb 0.52 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1i8o h ALA 5 CO 0.03 0.46 -0.06 0.78 0.00 0.00 0.00 179.25 180.45 1i8o h GLY 6 N 0.91 0.00 0.77 0.00 0.00 0.05 -2.35 103.07 102.46 1i8o h GLY 6 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.61 1i8o h GLY 6 CO -0.04 0.00 0.60 -2.09 0.00 0.00 0.00 176.54 175.01 1i8o h GLU 7 N 0.00 1.08 -0.41 4.80 4.81 -0.68 -0.27 114.58 123.91 1i8o h GLU 7 Ca -0.00 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1i8o h GLU 7 Cb 0.12 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1i8o h GLU 7 CO 0.01 0.72 -0.04 0.00 -0.73 0.00 0.00 179.01 178.96 1i8o h ALA 8 N 1.42 0.56 -0.80 2.92 0.00 -1.51 -2.69 119.26 119.16 1i8o h ALA 8 Ca 0.40 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1i8o h ALA 8 Cb 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1i8o h ALA 8 CO -0.16 0.38 0.53 0.28 0.00 0.00 0.00 179.25 180.28 1i8o h VAL 9 N 0.58 1.12 0.00 0.00 2.07 -1.34 -2.24 116.25 116.44 1i8o h VAL 9 Ca 0.11 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1i8o h VAL 9 Cb 0.54 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1i8o h VAL 9 CO 0.03 0.18 -0.04 0.15 0.02 0.00 0.00 177.57 177.91 1i8o h PHE 10 N 0.98 0.00 -0.70 1.57 3.57 -0.72 0.28 116.94 121.92 1i8o h PHE 10 Ca 0.32 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.88 1i8o h PHE 10 Cb 0.06 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1i8o h PHE 10 CO -0.00 0.04 0.46 0.87 -2.23 0.00 0.00 178.31 177.45 1i8o h LYS 11 N 0.00 0.74 -0.42 1.11 1.57 -1.32 0.54 116.57 118.78 1i8o h LYS 11 Ca -0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1i8o h LYS 11 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1i8o h LYS 11 CO 0.01 0.49 0.08 1.96 -0.57 0.00 0.00 179.45 181.41 1i8o h GLN 12 N 0.76 0.68 -0.06 3.15 4.20 -1.08 -2.94 115.11 119.81 1i8o h GLN 12 Ca 0.29 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1i8o h GLN 12 Cb 0.20 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1i8o h GLN 12 CO -0.09 0.72 -0.12 0.00 -0.67 0.00 0.00 178.83 178.67 1i8o n MET 14 N -4.35 0.09 -0.35 0.00 2.81 0.05 -1.09 117.12 114.28 1i8o n MET 14 Ca -0.02 0.24 0.11 0.00 -1.81 0.00 0.00 57.70 56.23 1i8o n MET 14 Cb 0.22 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.54 1i8o n MET 14 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1i8o h THR 15 N 0.00 0.78 0.00 2.03 2.02 -1.46 -3.32 112.91 112.96 1i8o h THR 15 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1i8o h THR 15 Cb 0.11 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1i8o h THR 15 CO 0.00 0.15 -0.54 0.00 0.37 0.00 0.00 175.52 175.50 1i8o s HIS 17 N -1.31 1.78 0.25 0.00 3.76 -0.25 -0.73 115.29 118.79 1i8o s HIS 17 Ca 0.00 -0.49 0.06 0.00 -0.15 0.00 0.00 55.06 54.48 1i8o s HIS 17 Cb 0.00 -0.87 -0.05 0.00 1.11 0.00 0.00 32.58 32.76 1i8o s HIS 17 CO 0.00 0.33 -0.07 1.03 -0.85 0.00 0.00 174.74 175.18 1i8o s ARG 18 N -2.96 1.46 0.06 1.40 1.81 -1.26 -3.98 118.95 115.48 1i8o s ARG 18 Ca 0.17 -1.72 -0.23 0.00 -1.72 0.00 0.00 55.73 52.23 1i8o s ARG 18 Cb -0.05 -1.07 -0.14 0.00 -0.45 0.00 0.00 34.95 33.24 1i8o s ARG 18 CO 0.07 0.06 1.55 0.00 -0.68 0.00 0.00 175.30 176.29 1i8o h ALA 19 N 2.38 0.11 -0.10 2.13 0.00 -1.94 -1.51 119.26 120.32 1i8o h ALA 19 Ca -0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1i8o h ALA 19 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1i8o h ALA 19 CO 0.66 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 179.39 1i8o n ASP 20 N -4.90 2.11 -3.79 0.00 8.00 -1.26 -0.67 116.55 116.04 1i8o n ASP 20 Ca -0.06 -1.81 -0.12 0.00 0.71 0.00 0.00 54.79 53.51 1i8o n ASP 20 Cb 0.14 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1i8o n ASP 20 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1i8o s LYS 21 N -0.85 0.71 0.40 -1.24 -2.85 -1.26 -5.01 119.74 109.63 1i8o s LYS 21 Ca 0.08 -0.45 -0.24 0.00 -1.00 0.00 0.00 55.97 54.36 1i8o s LYS 21 Cb 0.04 0.30 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 1i8o s LYS 21 CO 0.06 -0.21 1.04 -0.80 0.10 0.00 0.00 175.35 175.54 1i8o s ASN 22 N -1.82 6.78 0.00 0.03 0.01 -1.26 -3.65 114.94 115.03 1i8o s ASN 22 Ca -0.08 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.09 1i8o s ASN 22 Cb -0.03 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1i8o s ASN 22 CO -0.01 -0.48 0.00 0.23 -1.51 0.00 0.00 177.10 175.33 1i8o n MET 23 N -0.07 0.00 -0.18 -0.60 2.81 -1.26 -4.90 117.12 112.91 1i8o n MET 23 Ca 0.05 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.86 1i8o n MET 23 Cb 0.50 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.03 1i8o n MET 23 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1i8o h VAL 24 N 0.00 1.19 -1.42 2.03 2.07 -1.82 -3.43 116.25 114.88 1i8o h VAL 24 Ca 0.00 -0.54 -0.51 0.00 0.82 0.00 0.00 66.70 66.47 1i8o h VAL 24 Cb 0.00 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1i8o h VAL 24 CO 0.00 0.22 -0.38 -0.83 0.02 0.00 0.00 177.57 176.59 1i8o s GLY 25 N -2.94 2.19 0.60 2.17 0.00 0.09 -5.01 107.32 104.42 1i8o s GLY 25 Ca -0.13 -1.87 -0.17 0.00 0.00 0.00 0.00 44.72 42.55 1i8o s GLY 25 CO 0.77 -1.76 1.11 2.56 0.00 0.00 0.00 173.10 175.77 1i8o s PRO 26 N -4.12 3.13 0.32 2.90 0.04 -1.26 -4.66 135.00 131.35 1i8o s PRO 26 Ca 0.46 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 1i8o s PRO 26 Cb -0.02 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 1i8o s PRO 26 CO 0.26 -1.00 1.03 0.00 0.04 0.00 0.00 177.00 177.34 1i8o n ALA 27 N -1.86 0.01 0.69 8.56 0.00 -1.24 -4.60 120.51 122.06 1i8o n ALA 27 Ca 0.11 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.97 1i8o n ALA 27 Cb 0.52 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 1i8o n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i8o n LEU 28 N 1.05 1.06 -4.72 0.00 4.77 -0.57 -4.85 117.00 113.74 1i8o n LEU 28 Ca 0.09 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 1i8o n LEU 28 Cb 0.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1i8o n LEU 28 CO 0.60 0.23 1.21 0.00 -1.33 0.00 0.00 177.39 178.09 1i8o s ALA 29 N -2.17 3.76 0.00 -1.18 0.00 0.16 -1.37 121.76 120.96 1i8o s ALA 29 Ca 0.09 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1i8o s ALA 29 Cb 0.12 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1i8o s ALA 29 CO 0.52 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1i8o n GLY 30 N 3.53 0.79 0.24 0.00 0.00 -1.26 -4.93 105.19 103.56 1i8o n GLY 30 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 1i8o n GLY 30 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1i8o h VAL 31 N 0.00 1.22 -2.88 1.61 3.04 -1.54 -3.38 116.25 114.31 1i8o h VAL 31 Ca 0.00 -1.00 -0.55 0.00 -1.01 0.00 0.00 66.70 64.14 1i8o h VAL 31 Cb 0.00 1.22 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 1i8o h VAL 31 CO 0.00 0.32 0.88 -0.69 -1.01 0.00 0.00 177.57 177.07 1i8o s VAL 32 N -4.67 3.97 0.00 1.51 1.01 -1.26 -2.00 120.40 118.96 1i8o s VAL 32 Ca -0.06 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1i8o s VAL 32 Cb 0.15 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1i8o s VAL 32 CO 0.76 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1i8o n GLY 33 N 3.68 0.72 3.73 4.51 0.00 0.03 -4.98 105.19 112.88 1i8o n GLY 33 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1i8o n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i8o s ARG 34 N -0.41 2.77 0.20 1.61 3.52 -0.84 -4.79 118.95 121.01 1i8o s ARG 34 Ca 0.00 -0.69 -0.32 0.00 -0.13 0.00 0.00 55.73 54.58 1i8o s ARG 34 Cb 0.00 -2.67 -0.14 0.00 -1.56 0.00 0.00 34.95 30.58 1i8o s ARG 34 CO 0.00 0.58 1.42 1.17 -0.81 0.00 0.00 175.30 177.66 1i8o n LYS 35 N 0.80 1.91 -1.75 5.12 4.81 -1.26 -1.18 118.16 126.61 1i8o n LYS 35 Ca -0.11 0.68 -0.38 0.00 -0.87 0.00 0.00 58.31 57.63 1i8o n LYS 35 Cb 0.52 -2.35 0.04 0.00 0.02 0.00 0.00 35.03 33.27 1i8o n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i8o s ALA 36 N 0.19 2.82 -0.26 3.14 0.00 0.01 -3.51 121.76 124.14 1i8o s ALA 36 Ca 0.72 1.36 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1i8o s ALA 36 Cb -0.70 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1i8o s ALA 36 CO 0.47 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1i8o n GLY 37 N 0.74 0.29 0.22 0.00 0.00 -1.26 -3.92 105.19 101.27 1i8o n GLY 37 Ca 0.10 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.36 1i8o n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i8o n THR 38 N -3.88 0.47 -1.69 2.61 -2.24 -1.23 -4.88 114.28 103.43 1i8o n THR 38 Ca -0.03 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 1i8o n THR 38 Cb 0.48 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 1i8o n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i8o n ALA 39 N -0.32 2.24 -1.73 6.98 0.00 -1.26 -4.90 120.51 121.52 1i8o n ALA 39 Ca 0.03 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1i8o n ALA 39 Cb 0.58 -2.57 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 1i8o n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i8o n ALA 40 N 5.26 2.00 0.00 0.00 0.00 -1.26 -2.85 120.51 123.66 1i8o n ALA 40 Ca 0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1i8o n ALA 40 Cb 0.36 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1i8o n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8o n GLY 41 N 1.68 2.41 3.75 0.00 0.00 -1.26 -4.93 105.19 106.83 1i8o n GLY 41 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1i8o n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i8o s PHE 42 N -2.35 3.50 -0.48 1.61 5.36 -1.13 -5.05 117.98 119.44 1i8o s PHE 42 Ca 0.00 0.65 -0.21 0.00 -0.96 0.00 0.00 56.93 56.41 1i8o s PHE 42 Cb 0.00 -2.31 0.04 0.00 -0.34 0.00 0.00 43.02 40.41 1i8o s PHE 42 CO 0.00 0.32 0.69 0.99 -1.46 0.00 0.00 175.22 175.76 1i8o s THR 43 N 0.18 4.77 0.48 0.12 2.01 -1.26 -4.92 115.64 117.02 1i8o s THR 43 Ca 0.18 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 1i8o s THR 43 Cb -0.13 -4.29 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 1i8o s THR 43 CO 0.05 -0.75 0.86 -0.31 -0.69 0.00 0.00 174.62 173.78 1i8o s TYR 44 N 2.95 3.52 0.82 4.92 1.51 -1.26 -5.07 117.35 124.75 1i8o s TYR 44 Ca 0.22 1.11 -0.12 0.00 -1.01 0.00 0.00 57.07 57.26 1i8o s TYR 44 Cb -0.15 -2.52 0.09 0.00 -0.11 0.00 0.00 41.96 39.27 1i8o s TYR 44 CO 0.17 -0.31 1.17 -1.54 -1.11 0.00 0.00 175.55 173.93 1i8o s SER 45 N -3.57 3.63 0.25 2.29 1.04 -1.26 -4.79 113.70 111.28 1i8o s SER 45 Ca 0.52 2.22 -0.03 0.00 0.48 0.00 0.00 55.95 59.14 1i8o s SER 45 Cb -0.10 -2.57 0.51 0.00 0.10 0.00 0.00 66.02 63.95 1i8o s SER 45 CO 0.39 -2.64 1.70 -0.65 0.98 0.00 0.00 173.24 173.02 1i8o h PRO 46 N -1.14 0.34 -0.27 4.02 0.11 -1.95 0.13 132.00 133.24 1i8o h PRO 46 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1i8o h PRO 46 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1i8o h PRO 46 CO 0.46 0.22 0.08 1.25 -0.21 0.00 0.00 178.00 179.80 1i8o h LEU 47 N 0.35 0.39 -0.50 2.35 5.85 -1.85 0.26 115.31 122.16 1i8o h LEU 47 Ca 0.44 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 1i8o h LEU 47 Cb 0.75 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1i8o h LEU 47 CO -0.48 0.50 -0.27 -1.13 -0.34 0.00 0.00 178.44 176.71 1i8o h ASN 48 N 0.26 0.97 0.22 1.25 -0.00 -1.84 -2.19 115.58 114.25 1i8o h ASN 48 Ca 0.09 -0.39 -0.01 0.00 -0.00 0.00 0.00 56.30 55.98 1i8o h ASN 48 Cb 0.25 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.30 1i8o h ASN 48 CO -0.00 1.18 -0.11 -0.74 -0.00 0.00 0.00 177.43 177.76 1i8o h HIS 49 N 0.80 -0.27 -0.42 0.67 2.76 -0.81 -3.17 115.15 114.70 1i8o h HIS 49 Ca 0.09 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1i8o h HIS 49 Cb 0.84 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 1i8o h HIS 49 CO 0.05 -0.05 0.17 -0.91 -1.30 0.00 0.00 177.93 175.89 1i8o h ASN 50 N -0.47 0.54 -0.41 3.26 2.35 -0.45 -1.89 115.58 118.52 1i8o h ASN 50 Ca -0.03 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1i8o h ASN 50 Cb 0.35 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1i8o h ASN 50 CO 0.05 0.49 0.26 0.77 -1.65 0.00 0.00 177.43 177.35 1i8o h SER 51 N 0.59 0.48 -0.74 5.81 4.64 -1.42 -1.30 113.55 121.62 1i8o h SER 51 Ca 0.15 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1i8o h SER 51 Cb 0.12 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1i8o h SER 51 CO -0.01 0.36 0.24 1.23 -0.87 0.00 0.00 176.83 177.78 1i8o h GLY 52 N 0.55 1.23 2.00 -0.77 0.00 -1.37 -1.61 103.07 103.11 1i8o h GLY 52 Ca 0.15 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 1i8o h GLY 52 CO -0.03 0.68 -0.12 0.83 0.00 0.00 0.00 176.54 177.89 1i8o h GLU 53 N 1.10 0.00 -0.01 4.80 4.39 -0.90 -1.10 114.58 122.87 1i8o h GLU 53 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1i8o h GLU 53 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1i8o h GLU 53 CO -0.01 0.12 -0.03 0.00 -1.16 0.00 0.00 179.01 177.93 1i8o n ALA 54 N -2.30 2.67 0.00 3.43 0.00 -0.53 -4.91 120.51 118.87 1i8o n ALA 54 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1i8o n ALA 54 Cb 0.23 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1i8o n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8o n GLY 55 N 1.14 1.19 3.70 0.00 0.00 -0.42 -5.07 105.19 105.73 1i8o n GLY 55 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1i8o n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i8o s LEU 56 N 0.00 4.32 -0.04 0.99 2.96 -0.65 -4.98 118.68 121.28 1i8o s LEU 56 Ca 0.00 2.00 0.07 0.00 -0.22 0.00 0.00 54.13 55.98 1i8o s LEU 56 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1i8o s LEU 56 CO 0.00 -0.61 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.49 1i8o s VAL 57 N 1.94 2.19 -1.46 1.68 1.01 -1.26 -0.81 120.40 123.69 1i8o s VAL 57 Ca 0.60 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1i8o s VAL 57 Cb -0.29 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.34 1i8o s VAL 57 CO 0.26 0.58 2.38 0.79 0.00 0.00 0.00 175.10 179.10 1i8o n TRP 58 N 2.63 3.02 -1.10 5.22 5.03 -0.32 -4.78 117.44 127.13 1i8o n TRP 58 Ca -0.17 -2.96 -0.30 0.00 3.03 0.00 0.00 57.50 57.10 1i8o n TRP 58 Cb 0.52 -2.35 0.13 0.00 -1.03 0.00 0.00 31.31 28.57 1i8o n TRP 58 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1i8o s THR 59 N 1.93 2.83 0.25 -0.99 -4.23 -1.26 -0.79 115.64 113.38 1i8o s THR 59 Ca 0.52 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 61.26 1i8o s THR 59 Cb 0.15 -2.65 0.24 0.00 1.34 0.00 0.00 72.50 71.57 1i8o s THR 59 CO -0.06 -0.35 1.88 0.00 -0.54 0.00 0.00 174.62 175.54 1i8o h ALA 60 N -1.46 1.25 0.00 3.99 0.00 -1.95 -0.64 119.26 120.44 1i8o h ALA 60 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i8o h ALA 60 Cb 1.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1i8o h ALA 60 CO 0.50 0.40 0.00 -0.44 0.00 0.00 0.00 179.25 179.72 1i8o h ASP 61 N 1.11 0.00 0.11 0.00 3.32 -1.96 -1.95 116.42 117.05 1i8o h ASP 61 Ca 0.38 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.07 1i8o h ASP 61 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1i8o h ASP 61 CO -0.15 0.00 -2.00 0.59 -1.72 0.00 0.00 179.24 175.96 1i8o n ASN 62 N -2.43 2.11 -0.19 6.45 3.02 -0.67 -4.38 115.26 119.17 1i8o n ASN 62 Ca 0.01 0.20 -0.09 0.00 -0.03 0.00 0.00 54.58 54.67 1i8o n ASN 62 Cb 0.23 -0.84 0.01 0.00 -0.61 0.00 0.00 39.78 38.57 1i8o n ASN 62 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1i8o h ILE 63 N 0.01 1.25 0.18 2.41 2.04 -0.79 -2.66 117.51 119.95 1i8o h ILE 63 Ca -0.43 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 64.50 1i8o h ILE 63 Cb 1.99 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1i8o h ILE 63 CO 0.06 0.34 -0.25 0.58 0.00 0.00 0.00 178.15 178.88 1i8o h VAL 64 N 0.75 0.46 -0.22 1.67 2.07 -1.58 -1.42 116.25 117.99 1i8o h VAL 64 Ca 0.16 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 1i8o h VAL 64 Cb 0.39 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1i8o h VAL 64 CO 0.01 0.00 -0.22 1.55 0.02 0.00 0.00 177.57 178.93 1i8o h PRO 65 N -0.49 0.39 -0.65 1.57 0.13 -1.76 -2.96 132.00 128.23 1i8o h PRO 65 Ca 0.01 -0.13 0.09 0.00 -0.87 0.00 0.00 66.00 65.09 1i8o h PRO 65 Cb 0.48 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 31.52 1i8o h PRO 65 CO -0.10 0.60 0.30 -0.92 -0.23 0.00 0.00 178.00 177.65 1i8o h TYR 66 N 0.36 0.54 0.00 1.56 3.20 -1.07 -2.39 116.97 119.17 1i8o h TYR 66 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1i8o h TYR 66 Cb 0.59 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1i8o h TYR 66 CO 0.02 0.19 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.63 1i8o h LEU 67 N 0.53 0.00 -0.71 2.82 3.38 -1.09 -1.17 115.31 119.07 1i8o h LEU 67 Ca 0.32 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 1i8o h LEU 67 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1i8o h LEU 67 CO -0.26 0.03 -0.42 0.00 0.09 0.00 0.00 178.44 177.88 1i8o h ALA 68 N 1.97 0.90 -0.60 1.53 0.00 -1.53 -0.70 119.26 120.83 1i8o h ALA 68 Ca -0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1i8o h ALA 68 Cb 0.14 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.70 1i8o h ALA 68 CO 0.00 0.52 -0.30 0.34 0.00 0.00 0.00 179.25 179.81 1i8o s ASP 69 N -6.44 -0.89 0.19 0.00 -1.08 -0.50 -4.36 116.67 103.60 1i8o s ASP 69 Ca 0.01 -0.92 -0.13 0.00 -0.52 0.00 0.00 52.55 50.99 1i8o s ASP 69 Cb 0.10 1.15 0.19 0.00 -1.46 0.00 0.00 42.92 42.91 1i8o s ASP 69 CO 0.70 -0.05 1.72 -0.65 0.52 0.00 0.00 175.17 177.42 1i8o h PRO 70 N 4.95 0.26 -0.32 4.34 0.11 -1.64 -0.82 132.00 138.86 1i8o h PRO 70 Ca 0.02 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1i8o h PRO 70 Cb 1.15 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1i8o h PRO 70 CO -0.04 0.17 0.13 -0.91 -0.21 0.00 0.00 178.00 177.15 1i8o h ASN 71 N 0.26 0.44 -0.43 -2.05 2.35 -1.95 -1.87 115.58 112.34 1i8o h ASN 71 Ca 0.25 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1i8o h ASN 71 Cb 0.32 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1i8o h ASN 71 CO -0.31 0.48 -0.18 0.00 -1.65 0.00 0.00 177.43 175.77 1i8o h ALA 72 N 0.98 0.79 0.05 -0.83 0.00 -1.87 -1.86 119.26 116.51 1i8o h ALA 72 Ca 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1i8o h ALA 72 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i8o h ALA 72 CO -0.01 0.66 -0.02 0.35 0.00 0.00 0.00 179.25 180.23 1i8o h PHE 73 N 0.81 -0.06 -0.77 0.00 3.57 -1.01 -1.10 116.94 118.38 1i8o h PHE 73 Ca 0.11 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1i8o h PHE 73 Cb 0.73 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1i8o h PHE 73 CO 0.05 0.11 0.27 -0.07 -2.23 0.00 0.00 178.31 176.43 1i8o h LEU 74 N -0.22 1.09 -0.70 0.59 3.38 -1.29 -1.26 115.31 116.89 1i8o h LEU 74 Ca -0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1i8o h LEU 74 Cb 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1i8o h LEU 74 CO 0.01 0.99 0.19 0.11 0.09 0.00 0.00 178.44 179.83 1i8o h LYS 75 N 1.13 1.11 -0.63 1.13 1.57 -1.25 -1.89 116.57 117.74 1i8o h LYS 75 Ca 0.25 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1i8o h LYS 75 Cb 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1i8o h LYS 75 CO -0.01 0.97 0.03 -0.22 -0.57 0.00 0.00 179.45 179.65 1i8o h LYS 76 N 1.05 1.08 0.14 3.15 3.64 -0.97 -0.13 116.57 124.54 1i8o h LYS 76 Ca 0.22 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1i8o h LYS 76 Cb 0.34 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1i8o h LYS 76 CO -0.00 1.04 -0.07 0.35 -2.27 0.00 0.00 179.45 178.50 1i8o h PHE 77 N 1.00 -0.17 -0.73 1.91 3.57 -0.96 -1.35 116.94 120.20 1i8o h PHE 77 Ca 0.18 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1i8o h PHE 77 Cb 0.53 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1i8o h PHE 77 CO 0.04 -0.03 0.22 -0.07 -2.23 0.00 0.00 178.31 176.24 1i8o h LEU 78 N -0.28 1.07 -0.63 0.59 3.38 -1.26 -2.58 115.31 115.60 1i8o h LEU 78 Ca -0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1i8o h LEU 78 Cb 0.22 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1i8o h LEU 78 CO 0.03 1.00 0.24 0.74 0.09 0.00 0.00 178.44 180.54 1i8o h THR 79 N 1.10 1.24 0.00 0.22 2.02 -0.70 0.29 112.91 117.07 1i8o h THR 79 Ca 0.24 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1i8o h THR 79 Cb 0.32 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1i8o h THR 79 CO -0.01 0.30 -0.16 -0.33 0.37 0.00 0.00 175.52 175.69 1i8o h GLU 80 N 0.89 0.00 -0.03 6.66 5.08 -1.15 -0.72 114.58 125.31 1i8o h GLU 80 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1i8o h GLU 80 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1i8o h GLU 80 CO -0.02 0.16 0.00 1.63 -1.00 0.00 0.00 179.01 179.78 1i8o n LYS 81 N -3.60 1.10 -1.41 2.33 4.76 -0.78 -4.88 118.16 115.69 1i8o n LYS 81 Ca -0.01 -0.16 -0.06 0.00 -2.87 0.00 0.00 58.31 55.21 1i8o n LYS 81 Cb 0.29 -1.19 -0.02 0.00 -1.84 0.00 0.00 35.03 32.27 1i8o n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i8o n GLY 82 N 0.73 0.66 1.46 0.72 0.00 -0.28 -4.95 105.19 103.54 1i8o n GLY 82 Ca 0.09 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1i8o n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i8o n LYS 83 N -2.52 2.48 0.09 1.61 5.02 0.02 -4.76 118.16 120.11 1i8o n LYS 83 Ca -0.06 -3.66 0.19 0.00 -2.02 0.00 0.00 58.31 52.75 1i8o n LYS 83 Cb 0.28 -1.85 0.73 0.00 -0.02 0.00 0.00 35.03 34.18 1i8o n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i8o h ALA 84 N 1.66 2.22 0.00 7.82 0.00 -1.78 0.12 119.26 129.29 1i8o h ALA 84 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1i8o h ALA 84 Cb 1.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1i8o h ALA 84 CO 0.38 -0.51 0.00 -0.40 0.00 0.00 0.00 179.25 178.72 1i8o n ASP 85 N -4.12 0.00 -0.61 0.00 5.75 -1.26 -1.33 116.55 114.98 1i8o n ASP 85 Ca 0.06 -0.41 0.07 0.00 -0.01 0.00 0.00 54.79 54.50 1i8o n ASP 85 Cb 0.50 -0.07 0.07 0.00 -1.03 0.00 0.00 41.12 40.58 1i8o n ASP 85 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1i8o n GLN 86 N -1.07 1.15 -0.32 0.11 6.02 0.03 -4.59 117.38 118.70 1i8o n GLN 86 Ca 0.12 -1.43 0.10 0.00 -0.01 0.00 0.00 57.00 55.79 1i8o n GLN 86 Cb 0.08 -1.29 0.28 0.00 1.02 0.00 0.00 30.24 30.33 1i8o n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i8o n ALA 87 N 0.84 2.34 -1.80 -1.58 0.00 -0.44 -4.73 120.51 115.13 1i8o n ALA 87 Ca 0.09 -1.27 -0.41 0.00 0.00 0.00 0.00 53.44 51.85 1i8o n ALA 87 Cb 0.38 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 1i8o n ALA 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i8o s VAL 88 N -1.03 3.18 0.00 0.00 1.01 -1.26 -4.84 120.40 117.47 1i8o s VAL 88 Ca 0.42 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1i8o s VAL 88 Cb 0.22 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1i8o s VAL 88 CO 0.28 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1i8o n GLY 89 N 1.19 -1.88 3.27 4.51 0.00 -1.26 -4.74 105.19 106.29 1i8o n GLY 89 Ca 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 1i8o n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i8o s VAL 90 N 0.00 0.75 0.85 1.61 -7.23 -1.26 -4.95 120.40 110.16 1i8o s VAL 90 Ca 0.00 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 1i8o s VAL 90 Cb 0.00 -2.25 0.10 0.00 0.56 0.00 0.00 36.38 34.79 1i8o s VAL 90 CO 0.00 -0.37 1.14 0.42 -0.31 0.00 0.00 175.10 175.98 1i8o s THR 91 N -3.61 2.26 0.27 5.32 -4.23 -1.26 -4.66 115.64 109.73 1i8o s THR 91 Ca 0.27 0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 60.62 1i8o s THR 91 Cb 0.06 -2.94 -0.09 0.00 1.34 0.00 0.00 72.50 70.87 1i8o s THR 91 CO 0.07 -0.11 0.87 -0.54 -0.54 0.00 0.00 174.62 174.36 1i8o s LYS 92 N -5.37 4.53 -1.21 3.99 1.02 -1.26 -4.56 119.74 116.89 1i8o s LYS 92 Ca 0.62 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 57.52 1i8o s LYS 92 Cb -0.13 -2.94 0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1i8o s LYS 92 CO 0.52 0.38 0.69 -1.33 -0.92 0.00 0.00 175.35 174.69 1i8o n MET 93 N 0.85 -0.53 -2.42 1.68 2.81 -1.26 -4.79 117.12 113.47 1i8o n MET 93 Ca -0.01 0.17 -0.41 0.00 -1.81 0.00 0.00 57.70 55.64 1i8o n MET 93 Cb 0.50 -2.97 -0.03 0.00 -0.71 0.00 0.00 33.22 30.01 1i8o n MET 93 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1i8o s THR 94 N -3.54 3.80 0.01 2.03 2.01 -1.26 -5.03 115.64 113.66 1i8o s THR 94 Ca 0.48 1.42 0.04 0.00 0.31 0.00 0.00 61.69 63.94 1i8o s THR 94 Cb -0.24 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 1i8o s THR 94 CO 0.95 0.19 -0.12 0.12 -0.69 0.00 0.00 174.62 175.06 1i8o s PHE 95 N 0.35 1.05 -0.03 4.92 5.36 -1.26 -5.14 117.98 123.24 1i8o s PHE 95 Ca 0.55 -0.26 0.06 0.00 -0.96 0.00 0.00 56.93 56.32 1i8o s PHE 95 Cb -0.31 -0.66 -0.01 0.00 -0.34 0.00 0.00 43.02 41.70 1i8o s PHE 95 CO 0.33 -0.00 -0.22 0.15 -1.46 0.00 0.00 175.22 174.02 1i8o s LYS 96 N -0.61 1.93 -0.24 10.12 1.02 -1.26 -4.55 119.74 126.15 1i8o s LYS 96 Ca 0.03 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.25 1i8o s LYS 96 Cb -0.06 -1.79 0.06 0.00 -0.52 0.00 0.00 37.83 35.52 1i8o s LYS 96 CO 0.00 0.43 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.59 1i8o s LEU 97 N -0.38 2.98 0.07 3.17 2.96 -0.27 -5.00 118.68 122.21 1i8o s LEU 97 Ca 0.05 -1.23 -0.16 0.00 -0.22 0.00 0.00 54.13 52.57 1i8o s LEU 97 Cb -0.10 -1.40 -0.15 0.00 0.50 0.00 0.00 46.19 45.03 1i8o s LEU 97 CO 0.00 -0.19 1.29 0.00 -1.32 0.00 0.00 176.35 176.14 1i8o h ALA 98 N 7.86 0.27 -2.21 5.97 0.00 -1.86 -3.32 119.26 125.97 1i8o h ALA 98 Ca -0.21 -0.51 -0.55 0.00 0.00 0.00 0.00 54.91 53.64 1i8o h ALA 98 Cb 1.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1i8o h ALA 98 CO 0.46 0.47 1.27 1.21 0.00 0.00 0.00 179.25 182.66 1i8o s ASN 99 N -6.75 6.21 0.09 0.00 3.84 -1.26 -4.88 114.94 112.18 1i8o s ASN 99 Ca -0.12 2.29 -0.18 0.00 0.21 0.00 0.00 52.86 55.07 1i8o s ASN 99 Cb 0.07 -2.53 -0.07 0.00 -0.55 0.00 0.00 41.25 38.17 1i8o s ASN 99 CO 0.85 -1.30 1.52 -0.08 -2.79 0.00 0.00 177.10 175.30 1i8o h GLU 100 N 11.65 0.50 -0.78 0.43 4.81 -1.99 -2.06 114.58 127.14 1i8o h GLU 100 Ca -0.44 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 58.59 1i8o h GLU 100 Cb 1.22 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1i8o h GLU 100 CO 0.95 0.67 0.37 0.37 -0.73 0.00 0.00 179.01 180.64 1i8o h GLN 101 N 0.27 1.13 -0.90 1.92 5.75 -1.99 0.22 115.11 121.51 1i8o h GLN 101 Ca 0.08 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1i8o h GLN 101 Cb 0.45 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1i8o h GLN 101 CO 0.02 0.88 0.52 1.96 -2.65 0.00 0.00 178.83 179.56 1i8o h GLN 102 N 1.10 1.23 -0.39 1.69 4.20 -1.94 0.13 115.11 121.14 1i8o h GLN 102 Ca 0.27 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1i8o h GLN 102 Cb 0.13 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1i8o h GLN 102 CO -0.03 0.88 0.14 0.00 -0.67 0.00 0.00 178.83 179.15 1i8o h ARG 103 N 1.25 0.60 -0.65 1.46 3.08 -0.63 -0.25 114.38 119.23 1i8o h ARG 103 Ca 0.32 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1i8o h ARG 103 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1i8o h ARG 103 CO -0.06 0.58 0.43 0.87 -1.07 0.00 0.00 179.97 180.72 1i8o h LYS 104 N 0.49 0.86 -0.26 0.04 1.57 -0.61 -1.65 116.57 117.00 1i8o h LYS 104 Ca 0.13 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1i8o h LYS 104 Cb 0.22 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1i8o h LYS 104 CO -0.01 0.57 -0.12 -0.44 -0.57 0.00 0.00 179.45 178.88 1i8o h ASP 105 N 0.88 0.55 -0.14 0.86 3.32 -0.86 -2.08 116.42 118.96 1i8o h ASP 105 Ca 0.24 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1i8o h ASP 105 Cb -0.10 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1i8o h ASP 105 CO -0.05 0.84 -0.06 1.62 -1.72 0.00 0.00 179.24 179.87 1i8o h VAL 106 N 0.27 1.20 -0.55 -1.35 3.04 -0.93 -1.22 116.25 116.70 1i8o h VAL 106 Ca 0.06 -0.83 -0.10 0.00 -1.01 0.00 0.00 66.70 64.82 1i8o h VAL 106 Cb 0.63 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.95 1i8o h VAL 106 CO 0.04 0.27 -0.04 0.58 -1.01 0.00 0.00 177.57 177.41 1i8o h VAL 107 N 0.42 1.26 -0.98 1.51 2.07 -1.12 0.84 116.25 120.25 1i8o h VAL 107 Ca 0.09 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1i8o h VAL 107 Cb 0.37 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1i8o h VAL 107 CO 0.02 0.41 0.64 0.00 0.02 0.00 0.00 177.57 178.66 1i8o h ALA 108 N 1.05 1.27 -0.74 1.67 0.00 -0.88 -2.61 119.26 119.03 1i8o h ALA 108 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1i8o h ALA 108 Cb 0.57 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1i8o h ALA 108 CO 0.03 0.57 0.24 -0.92 0.00 0.00 0.00 179.25 179.17 1i8o h TYR 109 N 1.27 1.18 -0.45 0.00 3.20 -0.40 -2.61 116.97 119.16 1i8o h TYR 109 Ca 0.37 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 62.17 1i8o h TYR 109 Cb -0.07 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.84 1i8o h TYR 109 CO -0.00 0.92 0.30 -0.07 -1.64 0.00 0.00 178.16 177.67 1i8o h LEU 110 N 1.10 0.42 -1.82 2.82 3.38 -0.49 -0.75 115.31 119.96 1i8o h LEU 110 Ca 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1i8o h LEU 110 Cb 0.29 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1i8o h LEU 110 CO -0.01 0.29 -0.03 0.00 0.09 0.00 0.00 178.44 178.78 1i8o h ALA 111 N 1.74 1.03 -0.00 1.53 0.00 -1.20 -2.27 119.26 120.10 1i8o h ALA 111 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1i8o h ALA 111 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1i8o h ALA 111 CO -0.04 0.04 -0.04 0.25 0.00 0.00 0.00 179.25 179.45 1i8o n THR 112 N -3.16 0.00 0.25 0.00 -2.24 -0.29 -3.91 114.28 104.92 1i8o n THR 112 Ca -0.00 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.90 1i8o n THR 112 Cb 0.26 -0.38 0.48 0.00 -2.10 0.00 0.00 70.33 68.58 1i8o n THR 112 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i8o h LEU 113 N 0.13 0.00 0.00 3.22 3.38 -1.47 -3.52 115.31 117.06 1i8o h LEU 113 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i8o h LEU 113 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1i8o h LEU 113 CO 0.00 0.05 0.00 1.17 0.09 0.00 0.00 178.44 179.75