#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 s ALA 20 N 0.00 -4.06 -0.08 3.14 0.00 -1.26 -5.14 121.76 114.37 3mr8 s ALA 20 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3mr8 s ALA 20 Cb 0.00 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3mr8 s ALA 20 CO 0.00 -2.45 0.96 0.15 0.00 0.00 0.00 175.76 174.42 3mr8 s LYS 21 N 1.87 4.45 0.30 0.00 -0.14 -1.26 -4.86 119.74 120.10 3mr8 s LYS 21 Ca 0.16 1.32 0.14 0.00 -1.36 0.00 0.00 55.97 56.23 3mr8 s LYS 21 Cb 0.02 -3.51 0.39 0.00 -1.68 0.00 0.00 37.83 33.05 3mr8 s LYS 21 CO -0.13 -0.20 1.60 0.28 -0.76 0.00 0.00 175.35 176.14 3mr8 h VAL 22 N 4.99 1.17 -0.49 3.17 2.07 -1.64 -3.12 116.25 122.40 3mr8 h VAL 22 Ca -0.35 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3mr8 h VAL 22 Cb 1.17 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 3mr8 h VAL 22 CO 0.81 0.54 0.32 0.50 0.02 0.00 0.00 177.57 179.76 3mr8 h LYS 23 N 0.00 0.66 -0.00 1.57 1.63 -1.76 -3.14 116.57 115.53 3mr8 h LYS 23 Ca -0.01 -0.05 -0.24 0.00 -0.85 0.00 0.00 60.65 59.51 3mr8 h LYS 23 Cb 1.13 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.62 3mr8 h LYS 23 CO 0.07 0.45 -0.97 0.00 -3.45 0.00 0.00 179.45 175.55 3mr8 h ALA 24 N 1.17 0.29 -0.30 5.00 0.00 -1.87 -3.27 119.26 120.28 3mr8 h ALA 24 Ca 0.18 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 54.42 3mr8 h ALA 24 Cb -0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3mr8 h ALA 24 CO -0.04 0.77 0.21 1.15 0.00 0.00 0.00 179.25 181.34 3mr8 h THR 25 N 0.29 0.98 -3.29 0.00 2.02 -1.50 -3.41 112.91 108.01 3mr8 h THR 25 Ca -0.10 -0.08 -0.66 0.00 0.77 0.00 0.00 66.41 66.34 3mr8 h THR 25 Cb 1.61 0.71 -0.16 0.00 -1.74 0.00 0.00 68.15 68.57 3mr8 h THR 25 CO 0.18 0.04 -0.62 -0.76 0.37 0.00 0.00 175.52 174.73 3mr8 s LEU 26 N -9.21 3.58 0.00 2.58 1.43 -1.20 -5.11 118.68 110.75 3mr8 s LEU 26 Ca -0.06 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3mr8 s LEU 26 Cb 0.18 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3mr8 s LEU 26 CO 0.71 0.30 0.00 0.61 0.23 0.00 0.00 176.35 178.20 3mr8 n GLY 27 N 2.70 -0.66 3.70 -3.19 0.00 -1.26 -4.91 105.19 101.57 3mr8 n GLY 27 Ca -0.18 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3mr8 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mr8 s GLU 28 N 0.00 4.30 -0.19 1.61 2.12 -1.26 -5.00 118.70 120.27 3mr8 s GLU 28 Ca 0.00 2.02 -0.21 0.00 0.36 0.00 0.00 54.97 57.13 3mr8 s GLU 28 Cb 0.00 -3.46 0.06 0.00 0.26 0.00 0.00 34.13 30.99 3mr8 s GLU 28 CO 0.00 -0.52 0.58 -0.59 -0.54 0.00 0.00 175.26 174.19 3mr8 s PHE 29 N 1.92 -0.62 -0.64 5.30 -0.12 -1.26 -5.11 117.98 117.46 3mr8 s PHE 29 Ca 0.64 1.44 -0.27 0.00 -0.05 0.00 0.00 56.93 58.69 3mr8 s PHE 29 Cb -0.34 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.30 3mr8 s PHE 29 CO 0.28 -0.35 1.43 0.34 -0.05 0.00 0.00 175.22 176.88 3mr8 s ASP 30 N 0.05 6.01 0.00 1.98 2.15 -1.26 -4.84 116.67 120.76 3mr8 s ASP 30 Ca -0.02 0.01 0.28 0.00 0.43 0.00 0.00 52.55 53.26 3mr8 s ASP 30 Cb -0.04 -2.55 1.63 0.00 -0.30 0.00 0.00 42.92 41.66 3mr8 s ASP 30 CO 0.02 -1.86 2.03 0.00 -0.17 0.00 0.00 175.17 175.18 3mr8 n LEU 31 N 10.00 0.00 0.03 -1.34 -0.00 -1.26 -2.90 117.00 121.53 3mr8 n LEU 31 Ca 0.10 0.08 0.11 0.00 -0.00 0.00 0.00 56.01 56.30 3mr8 n LEU 31 Cb 0.50 -0.08 0.04 0.00 -0.00 0.00 0.00 43.42 43.88 3mr8 n LEU 31 CO 0.71 -0.01 0.04 -1.14 -0.00 0.00 0.00 177.39 177.00 3mr8 n ARG 32 N -1.08 0.29 -2.52 1.47 0.63 -1.26 -4.47 116.66 109.72 3mr8 n ARG 32 Ca 0.19 0.01 -0.31 0.00 -0.92 0.00 0.00 57.85 56.82 3mr8 n ARG 32 Cb 0.13 -1.60 -0.03 0.00 0.45 0.00 0.00 32.46 31.41 3mr8 n ARG 32 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3mr8 s ASP 33 N -3.95 6.54 0.00 6.15 3.68 -1.14 -4.88 116.67 123.06 3mr8 s ASP 33 Ca 0.04 1.38 0.06 0.00 2.13 0.00 0.00 52.55 56.16 3mr8 s ASP 33 Cb 0.14 -2.43 0.08 0.00 -1.45 0.00 0.00 42.92 39.26 3mr8 s ASP 33 CO 0.79 -0.55 0.82 0.00 0.13 0.00 0.00 175.17 176.36 3mr8 n TYR 34 N -1.61 0.07 0.49 -5.34 0.18 -1.26 -4.63 117.16 105.07 3mr8 n TYR 34 Ca 0.05 -0.14 0.05 0.00 1.88 0.00 0.00 57.90 59.74 3mr8 n TYR 34 Cb 0.54 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.45 3mr8 n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3mr8 n ARG 35 N 0.25 2.88 -1.03 -3.48 1.74 -1.26 -4.56 116.66 111.21 3mr8 n ARG 35 Ca 0.04 -0.27 -0.31 0.00 -0.77 0.00 0.00 57.85 56.54 3mr8 n ARG 35 Cb 0.20 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 3mr8 n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3mr8 n ASN 36 N -0.81 5.61 -0.18 0.55 6.94 -1.26 -4.71 115.26 121.40 3mr8 n ASN 36 Ca 0.03 -2.48 0.19 0.00 -0.02 0.00 0.00 54.58 52.30 3mr8 n ASN 36 Cb 0.19 -1.27 0.55 0.00 -2.36 0.00 0.00 39.78 36.89 3mr8 n ASN 36 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 3mr8 h VAL 37 N 3.49 0.72 -0.19 3.53 -1.51 -1.97 -1.18 116.25 119.15 3mr8 h VAL 37 Ca 0.60 -0.11 0.02 0.00 -1.23 0.00 0.00 66.70 65.97 3mr8 h VAL 37 Cb 0.30 0.36 -0.02 0.00 -2.13 0.00 0.00 31.29 29.80 3mr8 h VAL 37 CO 1.64 0.06 0.07 -0.08 -1.23 0.00 0.00 177.57 178.03 3mr8 h GLU 38 N 0.33 0.16 0.41 5.19 4.57 -2.00 0.71 114.58 123.96 3mr8 h GLU 38 Ca 0.40 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 3mr8 h GLU 38 Cb 1.07 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3mr8 h GLU 38 CO -0.12 0.11 -0.20 0.28 -1.18 0.00 0.00 179.01 177.90 3mr8 h VAL 39 N 0.16 0.60 0.00 0.32 2.07 -1.63 -3.01 116.25 114.76 3mr8 h VAL 39 Ca 0.08 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3mr8 h VAL 39 Cb 0.04 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3mr8 h VAL 39 CO -0.07 0.02 -0.05 -0.07 0.02 0.00 0.00 177.57 177.42 3mr8 h LEU 40 N -0.62 0.00 -1.37 2.57 3.38 -1.26 -1.73 115.31 116.28 3mr8 h LEU 40 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3mr8 h LEU 40 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3mr8 h LEU 40 CO 0.09 0.05 -0.30 0.50 0.09 0.00 0.00 178.44 178.87 3mr8 h LYS 41 N 0.00 0.00 0.00 1.13 3.64 -0.71 -2.14 116.57 118.49 3mr8 h LYS 41 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mr8 h LYS 41 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3mr8 h LYS 41 CO 0.01 0.30 0.00 0.00 -2.27 0.00 0.00 179.45 177.49 3mr8 h ARG 42 N 0.00 0.00 0.06 1.90 -0.00 -1.35 -3.25 114.38 111.74 3mr8 h ARG 42 Ca -0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 59.14 3mr8 h ARG 42 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.55 3mr8 h ARG 42 CO 0.04 0.00 -1.90 1.19 0.00 0.00 0.00 179.97 179.30 3mr8 n PHE 43 N -2.96 1.08 1.43 3.04 3.01 -0.81 -4.21 117.46 118.03 3mr8 n PHE 43 Ca 0.01 0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.76 3mr8 n PHE 43 Cb 0.30 -1.16 0.00 0.00 -0.01 0.00 0.00 39.48 38.60 3mr8 n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3mr8 n LEU 44 N -3.26 0.33 0.00 4.37 4.32 -1.18 -2.63 117.00 118.94 3mr8 n LEU 44 Ca -0.26 -0.16 0.00 0.00 -0.02 0.00 0.00 56.01 55.57 3mr8 n LEU 44 Cb 1.05 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.69 3mr8 n LEU 44 CO 0.43 0.08 0.00 -1.54 -1.22 0.00 0.00 177.39 175.14 3mr8 n SER 45 N -0.29 0.00 -2.28 -1.43 3.41 -1.26 -2.69 113.62 109.08 3mr8 n SER 45 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 3mr8 n SER 45 Cb 0.08 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 3mr8 n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mr8 n GLU 46 N 2.25 3.34 0.00 4.33 -0.58 -1.26 -4.60 120.64 124.12 3mr8 n GLU 46 Ca 0.00 -4.24 0.00 0.00 -0.42 0.00 0.00 57.16 52.50 3mr8 n GLU 46 Cb 0.00 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 28.68 3mr8 n GLU 46 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3mr8 n THR 47 N -0.58 0.00 0.00 2.62 -2.24 -1.24 -4.78 114.28 108.06 3mr8 n THR 47 Ca 0.38 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 3mr8 n THR 47 Cb 0.82 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 3mr8 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr8 n GLY 48 N 0.00 2.84 3.73 3.38 0.00 -1.09 -3.13 105.19 110.92 3mr8 n GLY 48 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3mr8 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mr8 s LYS 49 N -0.67 4.27 -0.62 1.61 -0.14 -1.24 -4.78 119.74 118.17 3mr8 s LYS 49 Ca 0.00 2.27 -0.26 0.00 -1.36 0.00 0.00 55.97 56.62 3mr8 s LYS 49 Cb 0.00 -3.14 -0.02 0.00 -1.68 0.00 0.00 37.83 32.98 3mr8 s LYS 49 CO 0.00 -0.46 1.88 0.42 -0.76 0.00 0.00 175.35 176.43 3mr8 s ILE 50 N 0.44 3.35 0.19 2.17 -1.09 -1.26 -4.12 121.20 120.88 3mr8 s ILE 50 Ca 0.63 0.18 -0.31 0.00 -2.23 0.00 0.00 60.65 58.91 3mr8 s ILE 50 Cb -0.41 -3.92 -0.16 0.00 -1.58 0.00 0.00 42.46 36.39 3mr8 s ILE 50 CO 0.38 -0.89 0.97 0.18 -1.23 0.00 0.00 174.94 174.35 3mr8 n LEU 51 N 12.88 0.77 -4.45 2.97 4.77 -1.08 -4.91 117.00 127.95 3mr8 n LEU 51 Ca 0.21 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 57.06 3mr8 n LEU 51 Cb 0.52 -1.14 0.26 0.00 -2.33 0.00 0.00 43.42 40.73 3mr8 n LEU 51 CO 0.71 -1.79 0.49 -2.16 -1.33 0.00 0.00 177.39 173.32 3mr8 s PRO 52 N -0.75 -1.44 0.13 3.23 0.04 -1.26 -4.75 135.00 130.20 3mr8 s PRO 52 Ca 0.70 0.61 0.20 0.00 0.04 0.00 0.00 61.00 62.55 3mr8 s PRO 52 Cb -0.88 -1.51 0.82 0.00 0.04 0.00 0.00 34.50 32.97 3mr8 s PRO 52 CO 0.55 -4.01 1.61 -2.13 0.04 0.00 0.00 177.00 173.06 3mr8 n ARG 53 N -5.09 0.10 -0.22 4.56 0.63 -1.26 -2.44 116.66 112.95 3mr8 n ARG 53 Ca 0.05 0.32 0.02 0.00 -0.92 0.00 0.00 57.85 57.32 3mr8 n ARG 53 Cb 0.56 -1.68 0.11 0.00 0.45 0.00 0.00 32.46 31.89 3mr8 n ARG 53 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3mr8 n ARG 54 N -1.87 1.95 0.00 -0.14 3.00 -1.26 -2.68 116.66 115.65 3mr8 n ARG 54 Ca 0.03 -0.83 0.00 0.00 -0.01 0.00 0.00 57.85 57.04 3mr8 n ARG 54 Cb 0.22 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.07 3mr8 n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3mr8 n ARG 55 N 0.15 0.00 0.09 5.56 5.12 -1.02 -4.84 116.66 121.72 3mr8 n ARG 55 Ca 0.07 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.97 3mr8 n ARG 55 Cb 0.44 -0.09 0.20 0.00 -1.16 0.00 0.00 32.46 31.86 3mr8 n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3mr8 h THR 56 N 0.00 1.32 -3.68 0.55 1.35 -1.68 -3.17 112.91 107.61 3mr8 h THR 56 Ca 0.00 -1.59 -0.20 0.00 -0.55 0.00 0.00 66.41 64.06 3mr8 h THR 56 Cb 0.05 1.73 0.08 0.00 -1.73 0.00 0.00 68.15 68.28 3mr8 h THR 56 CO 0.00 0.48 -0.38 0.61 -0.25 0.00 0.00 175.52 175.98 3mr8 n GLY 57 N -0.11 0.12 3.88 5.82 0.00 -1.09 -2.36 105.19 111.44 3mr8 n GLY 57 Ca -0.02 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 3mr8 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mr8 s LEU 58 N -4.35 3.63 0.89 0.99 1.02 -1.26 -4.82 118.68 114.77 3mr8 s LEU 58 Ca 0.23 -0.48 -0.12 0.00 0.02 0.00 0.00 54.13 53.78 3mr8 s LEU 58 Cb -0.10 -2.28 0.12 0.00 0.02 0.00 0.00 46.19 43.95 3mr8 s LEU 58 CO 0.39 -0.41 1.12 -0.55 0.02 0.00 0.00 176.35 176.93 3mr8 s SER 59 N -4.04 3.72 0.15 2.29 0.15 -1.26 -4.77 113.70 109.94 3mr8 s SER 59 Ca 0.43 1.07 -0.16 0.00 0.70 0.00 0.00 55.95 57.98 3mr8 s SER 59 Cb -0.06 -1.69 0.02 0.00 -1.71 0.00 0.00 66.02 62.58 3mr8 s SER 59 CO 0.27 -2.43 1.80 0.00 1.20 0.00 0.00 173.24 174.09 3mr8 h ALA 60 N -1.41 0.48 -0.06 5.45 0.00 -2.00 0.21 119.26 121.93 3mr8 h ALA 60 Ca -0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3mr8 h ALA 60 Cb 1.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3mr8 h ALA 60 CO 0.61 -0.10 -0.25 -0.22 0.00 0.00 0.00 179.25 179.28 3mr8 h LYS 61 N 0.47 0.10 -0.02 0.00 3.64 -2.01 -2.89 116.57 115.85 3mr8 h LYS 61 Ca 0.15 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.27 3mr8 h LYS 61 Cb -0.01 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3mr8 h LYS 61 CO -0.06 0.36 -0.89 0.93 -2.27 0.00 0.00 179.45 177.52 3mr8 h GLU 62 N 0.10 0.64 -0.64 1.90 5.08 -1.73 -3.28 114.58 116.65 3mr8 h GLU 62 Ca 0.02 -0.66 -0.07 0.00 -1.00 0.00 0.00 59.36 57.65 3mr8 h GLU 62 Cb 0.50 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3mr8 h GLU 62 CO 0.04 1.26 0.13 0.37 -1.00 0.00 0.00 179.01 179.81 3mr8 h GLN 63 N 0.29 1.01 0.62 2.33 5.75 -0.41 -2.01 115.11 122.68 3mr8 h GLN 63 Ca -0.10 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.13 3mr8 h GLN 63 Cb 1.55 -0.13 0.01 0.00 1.07 0.00 0.00 27.48 29.97 3mr8 h GLN 63 CO 0.18 0.91 -0.30 0.00 -2.65 0.00 0.00 178.83 176.97 3mr8 h ARG 64 N 0.96 -0.80 0.00 1.69 3.08 -1.63 -2.34 114.38 115.35 3mr8 h ARG 64 Ca 0.20 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3mr8 h ARG 64 Cb 0.37 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 3mr8 h ARG 64 CO 0.00 -0.49 -0.01 -0.84 -1.07 0.00 0.00 179.97 177.57 3mr8 h ILE 65 N -1.09 0.73 0.36 2.04 3.07 -1.61 0.14 117.51 121.15 3mr8 h ILE 65 Ca -0.08 -0.02 -0.02 0.00 1.55 0.00 0.00 64.86 66.29 3mr8 h ILE 65 Cb 0.68 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 3mr8 h ILE 65 CO 0.14 0.01 -0.17 0.25 -1.05 0.00 0.00 178.15 177.32 3mr8 h LEU 66 N 0.00 -0.41 -2.19 0.16 5.85 -1.26 -2.59 115.31 114.87 3mr8 h LEU 66 Ca -0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3mr8 h LEU 66 Cb 0.01 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3mr8 h LEU 66 CO 0.00 -0.26 0.18 0.00 -0.34 0.00 0.00 178.44 178.01 3mr8 h ALA 67 N -1.71 1.90 0.56 1.25 0.00 -1.07 -0.50 119.26 119.67 3mr8 h ALA 67 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3mr8 h ALA 67 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3mr8 h ALA 67 CO 0.08 -0.27 -0.45 -0.22 0.00 0.00 0.00 179.25 178.39 3mr8 h LYS 68 N 0.00 -0.94 0.00 0.00 1.63 -0.61 0.17 116.57 116.81 3mr8 h LYS 68 Ca 0.09 0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3mr8 h LYS 68 Cb 0.44 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 3mr8 h LYS 68 CO -0.00 -0.63 -0.21 1.79 -3.45 0.00 0.00 179.45 176.96 3mr8 h THR 69 N -0.98 1.04 0.15 1.00 1.35 -1.01 -2.80 112.91 111.66 3mr8 h THR 69 Ca -0.07 -0.73 0.01 0.00 -0.55 0.00 0.00 66.41 65.07 3mr8 h THR 69 Cb 0.82 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.61 3mr8 h THR 69 CO 0.01 0.20 -0.24 0.40 -0.25 0.00 0.00 175.52 175.64 3mr8 h ILE 70 N 0.00 0.47 -0.80 6.82 1.08 -0.44 -1.51 117.51 123.13 3mr8 h ILE 70 Ca -0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 3mr8 h ILE 70 Cb 0.39 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 34.55 3mr8 h ILE 70 CO 0.03 0.00 0.48 0.11 -0.69 0.00 0.00 178.15 178.07 3mr8 h LYS 71 N -0.46 0.84 -0.01 2.37 1.57 -0.73 -1.93 116.57 118.22 3mr8 h LYS 71 Ca 0.02 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3mr8 h LYS 71 Cb 0.47 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 3mr8 h LYS 71 CO -0.12 0.55 -0.26 0.00 -0.57 0.00 0.00 179.45 179.06 3mr8 h ARG 72 N 0.86 -0.38 -0.81 3.15 3.08 -1.22 -1.39 114.38 117.68 3mr8 h ARG 72 Ca 0.36 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.46 3mr8 h ARG 72 Cb 0.20 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3mr8 h ARG 72 CO -0.18 -0.25 0.52 0.00 -1.07 0.00 0.00 179.97 178.98 3mr8 h ALA 73 N 0.44 1.05 -0.16 0.04 0.00 -0.93 -0.01 119.26 119.70 3mr8 h ALA 73 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3mr8 h ALA 73 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3mr8 h ALA 73 CO -0.24 0.35 0.12 0.00 0.00 0.00 0.00 179.25 179.49 3mr8 h ARG 74 N 1.02 0.00 -0.10 0.00 3.08 -0.77 0.17 114.38 117.78 3mr8 h ARG 74 Ca 0.32 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.21 3mr8 h ARG 74 Cb -0.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.04 3mr8 h ARG 74 CO -0.10 0.00 -0.55 0.82 -1.07 0.00 0.00 179.97 179.07 3mr8 h ILE 75 N 0.00 1.36 0.00 2.04 2.04 0.04 -3.05 117.51 119.94 3mr8 h ILE 75 Ca 0.08 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.07 3mr8 h ILE 75 Cb 0.32 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3mr8 h ILE 75 CO -0.00 0.56 0.00 0.18 0.00 0.00 0.00 178.15 178.89 3mr8 n LEU 76 N -4.19 0.00 0.00 1.44 7.99 -0.06 -4.83 117.00 117.35 3mr8 n LEU 76 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 3mr8 n LEU 76 Cb 0.62 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 3mr8 n LEU 76 CO 0.47 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.96 3mr8 n GLY 77 N 0.20 2.83 0.00 -0.72 0.00 -0.57 -4.91 105.19 102.02 3mr8 n GLY 77 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3mr8 n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mr8 n LEU 78 N 0.00 0.00 -4.77 0.99 4.77 -0.81 -4.62 117.00 112.56 3mr8 n LEU 78 Ca 0.00 0.56 -0.40 0.00 -0.03 0.00 0.00 56.01 56.13 3mr8 n LEU 78 Cb 0.00 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3mr8 n LEU 78 CO 0.00 -0.06 0.92 -0.76 -1.33 0.00 0.00 177.39 176.16 3mr8 s LEU 79 N -1.55 4.42 0.93 2.23 1.43 -1.22 -4.93 118.68 119.98 3mr8 s LEU 79 Ca 0.00 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 3mr8 s LEU 79 Cb 0.00 -3.70 0.15 0.00 0.03 0.00 0.00 46.19 42.67 3mr8 s LEU 79 CO 0.00 -0.47 1.09 -2.84 0.23 0.00 0.00 176.35 174.36 3mr8 s PRO 80 N -1.79 1.00 -0.20 1.29 0.02 -1.26 -4.01 135.00 130.05 3mr8 s PRO 80 Ca 0.49 0.73 0.04 0.00 0.02 0.00 0.00 61.00 62.28 3mr8 s PRO 80 Cb -0.37 -1.79 -0.21 0.00 0.02 0.00 0.00 34.50 32.16 3mr8 s PRO 80 CO 0.48 -2.39 0.02 1.19 -0.33 0.00 0.00 177.00 175.97 3mr8 n PHE 81 N -3.98 0.34 -3.60 6.54 3.01 -1.26 -4.85 117.46 113.67 3mr8 n PHE 81 Ca 0.06 0.08 -0.11 0.00 1.01 0.00 0.00 57.45 58.49 3mr8 n PHE 81 Cb 0.56 -1.05 -0.06 0.00 -0.01 0.00 0.00 39.48 38.92 3mr8 n PHE 81 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3mr8 s THR 82 N -2.53 0.00 0.08 4.37 2.01 -1.26 -4.69 115.64 113.61 3mr8 s THR 82 Ca -0.25 0.00 0.07 0.00 0.31 0.00 0.00 61.69 61.81 3mr8 s THR 82 Cb 0.08 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 3mr8 s THR 82 CO 0.70 0.00 -0.17 -1.83 -0.69 0.00 0.00 174.62 172.62 3mr8 s GLU 83 N -0.49 1.01 0.35 4.92 -1.05 -1.18 -4.96 118.70 117.30 3mr8 s GLU 83 Ca -0.01 -1.00 -0.28 0.00 -0.15 0.00 0.00 54.97 53.53 3mr8 s GLU 83 Cb -0.02 -1.14 -0.12 0.00 -0.44 0.00 0.00 34.13 32.41 3mr8 s GLU 83 CO -0.00 0.27 1.26 1.63 0.95 0.00 0.00 175.26 179.36 3mr8 n LYS 84 N 1.36 2.04 -1.93 -4.83 4.76 -1.26 -4.82 118.16 113.47 3mr8 n LYS 84 Ca -0.20 0.72 -0.42 0.00 -2.87 0.00 0.00 58.31 55.53 3mr8 n LYS 84 Cb 0.54 -2.29 -0.03 0.00 -1.84 0.00 0.00 35.03 31.41 3mr8 n LYS 84 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3mr8 s LEU 85 N -0.95 4.18 1.25 -0.35 2.96 -1.26 -4.97 118.68 119.54 3mr8 s LEU 85 Ca 0.56 2.16 -0.16 0.00 -0.22 0.00 0.00 54.13 56.47 3mr8 s LEU 85 Cb -0.57 -3.53 0.31 0.00 0.50 0.00 0.00 46.19 42.90 3mr8 s LEU 85 CO 0.62 -1.11 1.00 0.68 -1.32 0.00 0.00 176.35 176.22 3mr8 s VAL 86 N 4.73 1.72 -0.21 1.68 -7.23 -1.26 -4.80 120.40 115.03 3mr8 s VAL 86 Ca 0.78 0.00 -0.42 0.00 -1.81 0.00 0.00 61.98 60.54 3mr8 s VAL 86 Cb -0.33 -2.12 -0.18 0.00 0.56 0.00 0.00 36.38 34.31 3mr8 s VAL 86 CO 0.32 0.00 1.44 -1.14 -0.31 0.00 0.00 175.10 175.41 3mr8 n ARG 87 N -5.13 0.46 0.00 4.82 0.00 -1.26 -5.24 116.66 110.31 3mr8 n ARG 87 Ca 0.06 0.17 0.16 0.00 -0.00 0.00 0.00 57.85 58.24 3mr8 n ARG 87 Cb 0.57 -1.73 0.85 0.00 0.00 0.00 0.00 32.46 32.15 3mr8 n ARG 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99