#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr0 n ARG 7 N 0.00 0.47 -0.13 3.44 1.74 -1.26 -3.94 116.66 116.98 3mr0 n ARG 7 Ca 0.00 0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 57.01 3mr0 n ARG 7 Cb 0.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 3mr0 n ARG 7 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3mr0 h PHE 8 N 0.00 0.95 0.00 -1.55 3.57 -2.06 -3.03 116.94 114.82 3mr0 h PHE 8 Ca 0.00 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.23 3mr0 h PHE 8 Cb 0.08 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3mr0 h PHE 8 CO 0.00 0.99 -0.19 0.37 -2.23 0.00 0.00 178.31 177.26 3mr0 h GLN 9 N 0.63 0.00 -0.35 1.11 5.75 -2.00 0.58 115.11 120.83 3mr0 h GLN 9 Ca 0.09 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 3mr0 h GLN 9 Cb 0.74 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 3mr0 h GLN 9 CO 0.06 0.19 -0.09 1.25 -2.65 0.00 0.00 178.83 177.58 3mr0 h LEU 10 N 0.00 0.58 0.19 -2.39 5.85 -1.81 -2.78 115.31 114.96 3mr0 h LEU 10 Ca -0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3mr0 h LEU 10 Cb 0.48 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3mr0 h LEU 10 CO 0.02 0.71 -0.09 0.00 -0.34 0.00 0.00 178.44 178.74 3mr0 h ALA 11 N 1.35 -0.59 -0.11 1.25 0.00 0.06 -2.71 119.26 118.52 3mr0 h ALA 11 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3mr0 h ALA 11 Cb 0.49 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3mr0 h ALA 11 CO 0.03 -0.57 0.11 0.28 0.00 0.00 0.00 179.25 179.10 3mr0 h VAL 12 N -0.43 0.57 0.27 0.00 2.07 -1.08 -3.10 116.25 114.55 3mr0 h VAL 12 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3mr0 h VAL 12 Cb 0.19 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3mr0 h VAL 12 CO 0.04 0.00 -0.13 0.77 0.02 0.00 0.00 177.57 178.27 3mr0 h SER 13 N 0.00 -0.30 0.37 0.57 4.64 -1.55 -2.06 113.55 115.22 3mr0 h SER 13 Ca 0.05 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3mr0 h SER 13 Cb 0.28 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3mr0 h SER 13 CO -0.00 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3mr0 n GLY 14 N 0.80 -0.96 0.05 -0.77 0.00 -1.02 -1.29 105.19 101.99 3mr0 n GLY 14 Ca -0.04 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3mr0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mr0 n ALA 15 N -1.65 2.72 -3.03 4.61 0.00 -1.19 -4.92 120.51 117.04 3mr0 n ALA 15 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 3mr0 n ALA 15 Cb 0.13 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.26 3mr0 n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mr0 n SER 16 N -1.24 -3.48 -4.95 0.00 2.88 -0.42 -4.99 113.62 101.42 3mr0 n SER 16 Ca 0.11 -0.35 -0.25 0.00 -1.33 0.00 0.00 58.87 57.05 3mr0 n SER 16 Cb 0.30 -3.26 -0.03 0.00 -0.75 0.00 0.00 64.21 60.46 3mr0 n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mr0 s ALA 17 N -3.20 3.94 -0.17 -1.46 0.00 -0.77 -4.65 121.76 115.45 3mr0 s ALA 17 Ca 0.20 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 3mr0 s ALA 17 Cb -0.09 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 3mr0 s ALA 17 CO 0.44 0.46 -0.01 0.20 0.00 0.00 0.00 175.76 176.86 3mr0 s GLY 18 N -3.36 1.76 0.35 0.00 0.00 -0.16 -4.56 107.32 101.36 3mr0 s GLY 18 Ca 0.35 -0.82 -0.23 0.00 0.00 0.00 0.00 44.72 44.02 3mr0 s GLY 18 CO 0.29 0.00 0.91 1.08 0.00 0.00 0.00 173.10 175.38 3mr0 s LEU 19 N 0.44 4.17 0.02 0.66 1.43 -1.26 -0.37 118.68 123.77 3mr0 s LEU 19 Ca -0.02 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 3mr0 s LEU 19 Cb -0.14 -4.18 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 3mr0 s LEU 19 CO 0.02 -0.18 -0.03 -1.66 0.23 0.00 0.00 176.35 174.74 3mr0 s TRP 20 N -1.84 0.24 -0.15 0.29 1.48 0.64 -2.05 118.94 117.55 3mr0 s TRP 20 Ca 0.54 -0.36 -0.04 0.00 -1.06 0.00 0.00 56.10 55.18 3mr0 s TRP 20 Cb -0.14 -0.17 0.05 0.00 -1.16 0.00 0.00 33.47 32.05 3mr0 s TRP 20 CO 0.19 -0.12 0.06 0.34 -4.06 0.00 0.00 176.95 173.36 3mr0 s ASP 21 N -1.01 2.26 -0.06 -2.66 -1.08 -0.83 -1.45 116.67 111.84 3mr0 s ASP 21 Ca -0.10 -0.52 0.05 0.00 -0.52 0.00 0.00 52.55 51.46 3mr0 s ASP 21 Cb -0.07 -0.35 -0.01 0.00 -1.46 0.00 0.00 42.92 41.04 3mr0 s ASP 21 CO -0.01 -0.31 -0.23 0.86 0.52 0.00 0.00 175.17 176.00 3mr0 s TRP 22 N 2.05 2.31 -0.34 -5.34 -0.00 -1.26 -1.05 118.94 115.31 3mr0 s TRP 22 Ca 0.02 -0.74 -0.14 0.00 -0.00 0.00 0.00 56.10 55.24 3mr0 s TRP 22 Cb -0.15 -1.53 -0.02 0.00 -0.00 0.00 0.00 33.47 31.77 3mr0 s TRP 22 CO -0.08 -0.25 0.28 1.21 -0.00 0.00 0.00 176.95 178.12 3mr0 s ASN 23 N -0.02 6.10 0.34 5.86 3.84 -0.30 -4.38 114.94 126.39 3mr0 s ASN 23 Ca -0.07 -0.32 0.09 0.00 0.21 0.00 0.00 52.86 52.77 3mr0 s ASN 23 Cb -0.14 -2.16 0.63 0.00 -0.55 0.00 0.00 41.25 39.03 3mr0 s ASN 23 CO 0.04 -0.26 1.80 -0.65 -2.79 0.00 0.00 177.10 175.25 3mr0 h PRO 24 N 8.47 0.18 0.12 0.43 0.11 -1.83 0.23 132.00 139.71 3mr0 h PRO 24 Ca -0.31 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 65.53 3mr0 h PRO 24 Cb 1.15 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.27 3mr0 h PRO 24 CO 0.65 0.48 -0.87 1.57 -0.21 0.00 0.00 178.00 179.62 3mr0 h LYS 25 N 0.16 0.38 0.00 1.05 2.10 -1.89 -3.37 116.57 115.01 3mr0 h LYS 25 Ca 0.02 -0.57 -0.17 0.00 -2.00 0.00 0.00 60.65 57.93 3mr0 h LYS 25 Cb 0.63 0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 32.13 3mr0 h LYS 25 CO 0.05 1.24 -1.21 1.79 -2.00 0.00 0.00 179.45 179.32 3mr0 h THR 26 N -0.19 0.74 0.00 0.07 1.35 -1.97 -3.48 112.91 109.43 3mr0 h THR 26 Ca -0.14 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 3mr0 h THR 26 Cb 1.64 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 3mr0 h THR 26 CO 0.17 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 3mr0 n GLY 27 N 1.37 2.11 3.18 5.82 0.00 0.07 -4.99 105.19 112.75 3mr0 n GLY 27 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3mr0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mr0 n ALA 28 N -0.83 -4.32 -2.70 4.61 0.00 -1.24 -4.54 120.51 111.47 3mr0 n ALA 28 Ca 0.00 -1.79 -0.18 0.00 0.00 0.00 0.00 53.44 51.47 3mr0 n ALA 28 Cb 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.85 3mr0 n ALA 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3mr0 s TYR 30 N -2.11 0.75 -0.06 0.00 5.04 -0.22 -1.15 117.35 119.60 3mr0 s TYR 30 Ca 0.62 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 55.11 3mr0 s TYR 30 Cb -0.11 -0.48 0.01 0.00 0.35 0.00 0.00 41.96 41.73 3mr0 s TYR 30 CO 0.52 -0.01 -0.14 -0.51 -1.34 0.00 0.00 175.55 174.06 3mr0 s LEU 31 N -0.29 1.75 0.71 6.97 1.43 -0.83 -1.97 118.68 126.44 3mr0 s LEU 31 Ca 0.02 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 3mr0 s LEU 31 Cb -0.04 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.30 3mr0 s LEU 31 CO -0.00 0.07 1.07 -0.94 0.23 0.00 0.00 176.35 176.78 3mr0 s SER 32 N 0.50 5.14 0.24 2.29 1.04 -0.87 -4.82 113.70 117.22 3mr0 s SER 32 Ca -0.13 1.72 -0.04 0.00 0.48 0.00 0.00 55.95 57.98 3mr0 s SER 32 Cb -0.15 -2.51 0.46 0.00 0.10 0.00 0.00 66.02 63.92 3mr0 s SER 32 CO 0.04 -1.60 1.73 -0.65 0.98 0.00 0.00 173.24 173.73 3mr0 h PRO 33 N -0.69 0.41 0.00 4.02 0.11 -1.97 -1.28 132.00 132.60 3mr0 h PRO 33 Ca -0.44 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3mr0 h PRO 33 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3mr0 h PRO 33 CO 0.55 0.27 -0.34 1.25 -0.21 0.00 0.00 178.00 179.52 3mr0 h HIS 34 N 0.43 0.00 0.11 0.65 2.76 -1.92 -1.12 115.15 116.05 3mr0 h HIS 34 Ca 0.41 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 3mr0 h HIS 34 Cb 0.63 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3mr0 h HIS 34 CO -0.17 0.34 -0.08 0.35 -1.30 0.00 0.00 177.93 177.06 3mr0 h PHE 35 N 0.00 -0.22 -0.96 5.26 3.57 -1.51 -0.10 116.94 122.98 3mr0 h PHE 35 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 3mr0 h PHE 35 Cb 0.66 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.41 3mr0 h PHE 35 CO 0.00 -0.13 0.60 0.87 -2.23 0.00 0.00 178.31 177.41 3mr0 h LYS 36 N -0.20 0.97 -0.10 1.11 1.57 -0.63 -2.34 116.57 116.95 3mr0 h LYS 36 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3mr0 h LYS 36 Cb 0.18 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3mr0 h LYS 36 CO -0.01 0.64 0.03 -0.22 -0.57 0.00 0.00 179.45 179.33 3mr0 h LYS 37 N 1.00 0.16 -1.97 3.15 1.63 -0.81 0.81 116.57 120.54 3mr0 h LYS 37 Ca 0.45 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 3mr0 h LYS 37 Cb 0.36 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3mr0 h LYS 37 CO -0.23 0.31 0.00 -0.89 -3.45 0.00 0.00 179.45 175.19 3mr0 n ILE 38 N -4.89 0.00 -1.06 2.00 5.41 -0.09 -3.25 119.36 117.48 3mr0 n ILE 38 Ca -0.06 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.70 3mr0 n ILE 38 Cb 0.14 -0.68 0.01 0.00 -0.71 0.00 0.00 39.64 38.40 3mr0 n ILE 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mr0 n GLY 40 N 1.62 -0.43 3.44 7.39 0.00 -1.11 -4.97 105.19 111.14 3mr0 n GLY 40 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3mr0 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mr0 s TYR 41 N -0.42 2.82 0.73 1.61 2.02 0.26 -4.62 117.35 119.75 3mr0 s TYR 41 Ca 0.03 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.22 3mr0 s TYR 41 Cb 0.02 -1.78 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 3mr0 s TYR 41 CO 0.00 0.00 1.13 -1.21 -1.57 0.00 0.00 175.55 173.90 3mr0 s GLU 42 N -0.12 2.31 0.31 -0.62 0.41 -1.26 -2.47 118.70 117.25 3mr0 s GLU 42 Ca -0.00 1.44 0.07 0.00 -0.41 0.00 0.00 54.97 56.07 3mr0 s GLU 42 Cb -0.13 -1.88 0.82 0.00 -1.78 0.00 0.00 34.13 31.15 3mr0 s GLU 42 CO 0.03 -1.64 1.71 0.22 -0.49 0.00 0.00 175.26 175.10 3mr0 h ASP 43 N -0.54 0.53 0.76 -0.19 3.58 -1.90 0.16 116.42 118.84 3mr0 h ASP 43 Ca -0.46 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3mr0 h ASP 43 Cb 1.26 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.38 3mr0 h ASP 43 CO 0.51 0.06 -0.20 0.00 -2.88 0.00 0.00 179.24 176.72 3mr0 n HIS 44 N -4.95 0.00 1.60 0.28 1.44 -1.26 -3.73 115.22 108.60 3mr0 n HIS 44 Ca 0.25 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.04 3mr0 n HIS 44 Cb 0.71 -0.38 0.37 0.00 0.12 0.00 0.00 29.99 30.81 3mr0 n HIS 44 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3mr0 n GLU 45 N -1.47 1.35 -3.62 -1.40 1.02 0.58 -4.77 120.64 112.33 3mr0 n GLU 45 Ca 0.07 -0.53 -0.13 0.00 -0.02 0.00 0.00 57.16 56.55 3mr0 n GLU 45 Cb 0.33 -1.29 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 3mr0 n GLU 45 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mr0 s LEU 46 N -1.43 -0.69 0.62 -4.62 1.43 -1.24 -4.93 118.68 107.82 3mr0 s LEU 46 Ca 0.25 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.46 3mr0 s LEU 46 Cb 0.13 2.36 -0.02 0.00 0.03 0.00 0.00 46.19 48.69 3mr0 s LEU 46 CO 0.20 -0.26 1.14 -2.84 0.23 0.00 0.00 176.35 174.82 3mr0 s PRO 47 N 0.22 2.92 0.00 1.29 0.02 -1.26 -4.88 135.00 133.30 3mr0 s PRO 47 Ca -0.00 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.57 3mr0 s PRO 47 Cb -0.05 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3mr0 s PRO 47 CO 0.00 -1.19 0.64 -0.25 -0.33 0.00 0.00 177.00 175.88 3mr0 n ASP 48 N -2.00 0.00 -3.66 2.53 8.00 -1.26 -4.53 116.55 115.63 3mr0 n ASP 48 Ca 0.11 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.69 3mr0 n ASP 48 Cb 0.51 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 3mr0 n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3mr0 s GLU 49 N -2.28 0.24 0.02 -1.24 2.02 -1.26 -1.96 118.70 114.23 3mr0 s GLU 49 Ca 0.00 0.89 0.08 0.00 0.02 0.00 0.00 54.97 55.96 3mr0 s GLU 49 Cb 0.00 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 3mr0 s GLU 49 CO 0.00 -0.26 -0.24 0.96 0.02 0.00 0.00 175.26 175.74 3mr0 s ILE 50 N 2.46 1.93 -0.33 -1.63 -4.36 -1.26 -5.00 121.20 113.01 3mr0 s ILE 50 Ca -0.01 -1.19 0.15 0.00 -0.26 0.00 0.00 60.65 59.34 3mr0 s ILE 50 Cb -0.12 -1.63 0.46 0.00 1.25 0.00 0.00 42.46 42.42 3mr0 s ILE 50 CO -0.11 0.41 1.07 0.41 0.24 0.00 0.00 174.94 176.96 3mr0 n THR 51 N 2.11 1.62 0.00 8.37 -1.04 -1.26 -4.23 114.28 119.84 3mr0 n THR 51 Ca -0.16 -3.64 0.00 0.00 -2.04 0.00 0.00 64.05 58.21 3mr0 n THR 51 Cb 0.52 0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 3mr0 n THR 51 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3mr0 n GLU 55 N -0.40 0.00 0.00 -2.82 0.00 -1.26 -4.80 120.64 111.37 3mr0 n GLU 55 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.51 3mr0 n GLU 55 Cb 0.80 0.00 0.59 0.00 0.00 0.00 0.00 31.44 32.83 3mr0 n GLU 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3mr0 n SER 56 N 0.00 0.42 -4.74 4.31 3.41 -1.26 -4.91 113.62 110.85 3mr0 n SER 56 Ca 0.00 -0.45 -0.40 0.00 -0.26 0.00 0.00 58.87 57.76 3mr0 n SER 56 Cb 0.00 -0.09 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3mr0 n SER 56 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3mr0 n ILE 57 N -1.05 2.75 -1.97 -1.33 5.41 -1.26 -0.98 119.36 120.93 3mr0 n ILE 57 Ca 0.13 -0.50 -0.41 0.00 1.00 0.00 0.00 62.75 62.97 3mr0 n ILE 57 Cb 0.28 -1.75 -0.02 0.00 -0.71 0.00 0.00 39.64 37.44 3mr0 n ILE 57 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3mr0 s HIS 58 N -1.20 2.96 0.39 1.39 5.65 -0.23 -4.86 115.29 119.40 3mr0 s HIS 58 Ca 0.61 1.00 0.19 0.00 0.25 0.00 0.00 55.06 57.11 3mr0 s HIS 58 Cb -0.47 -3.86 1.12 0.00 -1.18 0.00 0.00 32.58 28.19 3mr0 s HIS 58 CO 0.57 -2.80 1.74 -1.00 -0.65 0.00 0.00 174.74 172.60 3mr0 h PRO 59 N 4.88 0.36 0.00 2.88 0.13 -1.91 -1.14 132.00 137.20 3mr0 h PRO 59 Ca -0.46 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3mr0 h PRO 59 Cb 1.22 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3mr0 h PRO 59 CO 0.77 0.24 -0.24 -0.44 -0.23 0.00 0.00 178.00 178.09 3mr0 h ASP 60 N 0.37 0.00 0.19 1.44 5.19 -1.98 -3.26 116.42 118.37 3mr0 h ASP 60 Ca 0.64 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.05 3mr0 h ASP 60 Cb 1.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.14 3mr0 h ASP 60 CO -0.35 0.24 -1.48 0.47 -3.12 0.00 0.00 179.24 175.00 3mr0 n ASP 61 N -3.42 0.42 -0.17 6.45 8.00 -0.47 -4.62 116.55 122.74 3mr0 n ASP 61 Ca 0.00 -0.22 -0.04 0.00 0.71 0.00 0.00 54.79 55.24 3mr0 n ASP 61 Cb 0.44 1.38 0.02 0.00 -0.02 0.00 0.00 41.12 42.94 3mr0 n ASP 61 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3mr0 h ARG 62 N 0.00 -0.11 -0.22 -1.24 2.43 -1.49 -0.08 114.38 113.67 3mr0 h ARG 62 Ca 0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3mr0 h ARG 62 Cb 0.84 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3mr0 h ARG 62 CO 0.00 -0.07 0.01 0.00 -1.51 0.00 0.00 179.97 178.40 3mr0 h ALA 63 N 1.22 0.30 -0.46 2.80 0.00 -1.82 -1.58 119.26 119.72 3mr0 h ALA 63 Ca 0.24 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3mr0 h ALA 63 Cb 0.49 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3mr0 h ALA 63 CO -0.60 0.01 0.22 -0.09 0.00 0.00 0.00 179.25 178.80 3mr0 h ARG 64 N 0.16 0.43 0.06 0.00 2.43 -1.66 -0.68 114.38 115.12 3mr0 h ARG 64 Ca 0.06 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3mr0 h ARG 64 Cb 0.38 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3mr0 h ARG 64 CO 0.01 0.28 -0.03 0.28 -1.51 0.00 0.00 179.97 179.00 3mr0 h VAL 65 N 0.44 1.10 -0.97 0.20 2.07 -0.93 -1.76 116.25 116.39 3mr0 h VAL 65 Ca 0.20 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.22 3mr0 h VAL 65 Cb 0.13 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 3mr0 h VAL 65 CO -0.15 0.14 0.63 0.25 0.02 0.00 0.00 177.57 178.46 3mr0 h LEU 66 N -0.34 1.02 -0.53 2.57 5.85 -1.15 -1.33 115.31 121.40 3mr0 h LEU 66 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3mr0 h LEU 66 Cb 0.30 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3mr0 h LEU 66 CO 0.01 0.67 0.04 0.00 -0.34 0.00 0.00 178.44 178.83 3mr0 h ALA 67 N 1.46 0.71 -0.30 1.25 0.00 -1.02 -2.26 119.26 119.09 3mr0 h ALA 67 Ca 0.41 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3mr0 h ALA 67 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mr0 h ALA 67 CO -0.15 0.49 -0.24 0.00 0.00 0.00 0.00 179.25 179.36 3mr0 h ALA 68 N 0.97 1.03 -0.76 0.00 0.00 -0.52 0.31 119.26 120.28 3mr0 h ALA 68 Ca 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3mr0 h ALA 68 Cb 0.47 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3mr0 h ALA 68 CO 0.02 0.58 0.40 1.25 0.00 0.00 0.00 179.25 181.50 3mr0 h LEU 69 N 0.51 0.97 -0.16 0.00 5.85 -1.16 -1.27 115.31 120.05 3mr0 h LEU 69 Ca 0.07 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3mr0 h LEU 69 Cb 0.68 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3mr0 h LEU 69 CO 0.05 0.81 0.08 0.50 -0.34 0.00 0.00 178.44 179.54 3mr0 h LYS 70 N 1.06 0.23 -0.61 1.25 3.64 -0.90 0.13 116.57 121.37 3mr0 h LYS 70 Ca 0.27 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.72 3mr0 h LYS 70 Cb 0.07 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 3mr0 h LYS 70 CO -0.04 0.26 0.41 0.00 -2.27 0.00 0.00 179.45 177.81 3mr0 h ALA 71 N 0.96 2.06 0.16 5.00 0.00 -0.67 0.49 119.26 127.26 3mr0 h ALA 71 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3mr0 h ALA 71 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mr0 h ALA 71 CO -0.01 -0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.21 3mr0 h HIS 72 N 0.38 -0.21 0.00 0.00 -0.00 -0.89 -0.63 115.15 113.80 3mr0 h HIS 72 Ca 0.28 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.64 3mr0 h HIS 72 Cb 0.61 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.08 3mr0 h HIS 72 CO -0.00 0.16 -0.03 -0.07 -0.00 0.00 0.00 177.93 177.99 3mr0 h LEU 73 N -0.96 0.00 0.00 0.26 3.38 -0.41 -0.74 115.31 116.84 3mr0 h LEU 73 Ca -0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 3mr0 h LEU 73 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3mr0 h LEU 73 CO 0.04 0.03 -1.83 -0.62 0.09 0.00 0.00 178.44 176.14 3mr0 n GLU 74 N -3.19 0.36 0.00 1.13 1.02 0.13 -4.70 120.64 115.39 3mr0 n GLU 74 Ca -0.01 0.09 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 3mr0 n GLU 74 Cb 0.21 -1.26 0.03 0.00 -0.02 0.00 0.00 31.44 30.40 3mr0 n GLU 74 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3mr0 n HIS 75 N -3.02 0.00 -0.34 -0.32 8.25 -0.30 -4.94 115.22 114.54 3mr0 n HIS 75 Ca -0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 3mr0 n HIS 75 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 3mr0 n HIS 75 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mr0 n ARG 76 N 0.28 0.00 -1.39 -0.41 1.74 -0.29 -4.96 116.66 111.64 3mr0 n ARG 76 Ca 0.07 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.77 3mr0 n ARG 76 Cb 0.35 -2.55 0.03 0.00 -1.02 0.00 0.00 32.46 29.27 3mr0 n ARG 76 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3mr0 n ASP 77 N 0.00 -1.79 -4.69 0.55 9.92 -0.84 -4.80 116.55 114.90 3mr0 n ASP 77 Ca 0.00 0.70 -0.43 0.00 -0.53 0.00 0.00 54.79 54.53 3mr0 n ASP 77 Cb 0.00 -1.09 -0.01 0.00 -0.64 0.00 0.00 41.12 39.38 3mr0 n ASP 77 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3mr0 n THR 78 N -1.71 1.98 -3.68 -3.53 -1.04 -1.26 -3.77 114.28 101.27 3mr0 n THR 78 Ca 0.10 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.23 3mr0 n THR 78 Cb 0.48 -1.52 -0.12 0.00 -1.82 0.00 0.00 70.33 67.35 3mr0 n THR 78 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3mr0 s TYR 79 N -1.07 3.24 -0.36 -1.42 5.04 -1.26 -4.75 117.35 116.76 3mr0 s TYR 79 Ca 0.56 -1.16 0.05 0.00 -2.44 0.00 0.00 57.07 54.08 3mr0 s TYR 79 Cb -0.58 -2.34 0.19 0.00 0.35 0.00 0.00 41.96 39.57 3mr0 s TYR 79 CO 0.62 -0.67 0.67 0.34 -1.34 0.00 0.00 175.55 175.16 3mr0 s ASP 80 N 1.48 -1.43 0.19 4.32 -1.08 -1.25 -2.31 116.67 116.59 3mr0 s ASP 80 Ca 0.00 -0.37 0.07 0.00 -0.52 0.00 0.00 52.55 51.74 3mr0 s ASP 80 Cb -0.19 1.85 -0.05 0.00 -1.46 0.00 0.00 42.92 43.07 3mr0 s ASP 80 CO 0.04 -0.20 -0.14 0.68 0.52 0.00 0.00 175.17 176.07 3mr0 s VAL 81 N 2.25 1.65 -0.06 1.11 -7.23 0.05 -4.95 120.40 113.21 3mr0 s VAL 81 Ca 0.14 -2.13 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 3mr0 s VAL 81 Cb -0.05 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 3mr0 s VAL 81 CO -0.15 -0.57 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.24 3mr0 s GLU 82 N -3.51 2.64 0.30 4.82 2.02 -1.26 -0.07 118.70 123.63 3mr0 s GLU 82 Ca 0.20 -0.83 -0.20 0.00 0.02 0.00 0.00 54.97 54.16 3mr0 s GLU 82 Cb -0.01 -2.27 0.03 0.00 0.10 0.00 0.00 34.13 31.98 3mr0 s GLU 82 CO 0.06 0.42 0.74 1.52 0.02 0.00 0.00 175.26 178.02 3mr0 s TYR 83 N -0.23 -0.13 -0.12 1.61 -0.85 -0.28 -4.99 117.35 112.36 3mr0 s TYR 83 Ca -0.01 -0.37 -0.10 0.00 -0.52 0.00 0.00 57.07 56.07 3mr0 s TYR 83 Cb -0.13 0.73 -0.05 0.00 0.38 0.00 0.00 41.96 42.89 3mr0 s TYR 83 CO 0.03 -1.29 0.21 1.03 -1.52 0.00 0.00 175.55 174.01 3mr0 s ARG 84 N -3.59 3.84 0.02 -3.49 0.52 -1.26 -0.85 118.95 114.14 3mr0 s ARG 84 Ca 0.12 -0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.38 3mr0 s ARG 84 Cb -0.06 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 3mr0 s ARG 84 CO 0.08 0.56 -0.20 0.14 0.02 0.00 0.00 175.30 175.90 3mr0 s VAL 85 N -0.45 1.56 -0.20 3.52 -7.23 -0.51 -1.07 120.40 116.01 3mr0 s VAL 85 Ca 0.15 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.98 3mr0 s VAL 85 Cb -0.13 -1.34 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 3mr0 s VAL 85 CO 0.04 0.26 1.19 -0.60 -0.31 0.00 0.00 175.10 175.69 3mr0 s ARG 86 N -0.93 4.21 0.84 4.82 3.52 -0.15 -1.62 118.95 129.64 3mr0 s ARG 86 Ca 0.07 1.52 -0.12 0.00 -0.13 0.00 0.00 55.73 57.07 3mr0 s ARG 86 Cb -0.08 -3.74 0.12 0.00 -1.56 0.00 0.00 34.95 29.69 3mr0 s ARG 86 CO 0.01 -0.73 1.19 0.95 -0.81 0.00 0.00 175.30 175.91 3mr0 s THR 87 N 3.49 2.06 0.33 4.11 -4.23 0.34 -4.86 115.64 116.88 3mr0 s THR 87 Ca 0.51 -0.08 0.12 0.00 -1.18 0.00 0.00 61.69 61.06 3mr0 s THR 87 Cb -0.19 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 71.00 3mr0 s THR 87 CO 0.13 0.00 1.67 -0.09 -0.54 0.00 0.00 174.62 175.79 3mr0 h ARG 88 N -1.14 0.34 -0.87 3.99 2.43 -1.86 0.52 114.38 117.77 3mr0 h ARG 88 Ca -0.45 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.54 3mr0 h ARG 88 Cb 1.29 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 3mr0 h ARG 88 CO 0.54 0.22 0.21 -1.13 -1.51 0.00 0.00 179.97 178.30 3mr0 n SER 89 N -5.05 3.70 0.00 -3.80 3.41 -1.26 -4.85 113.62 105.77 3mr0 n SER 89 Ca 0.30 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 3mr0 n SER 89 Cb 0.91 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3mr0 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mr0 n GLY 90 N -0.07 0.17 3.83 5.00 0.00 0.18 -4.96 105.19 109.35 3mr0 n GLY 90 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 3mr0 n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mr0 s ASP 91 N -2.13 6.84 0.11 1.61 1.11 -1.25 -4.71 116.67 118.24 3mr0 s ASP 91 Ca 0.00 1.00 -0.23 0.00 0.18 0.00 0.00 52.55 53.50 3mr0 s ASP 91 Cb 0.00 -2.26 -0.07 0.00 1.07 0.00 0.00 42.92 41.66 3mr0 s ASP 91 CO 0.00 0.32 0.69 -0.36 1.18 0.00 0.00 175.17 176.99 3mr0 s PHE 92 N -1.09 3.85 0.18 4.23 0.40 -1.26 -0.50 117.98 123.78 3mr0 s PHE 92 Ca 0.25 1.46 0.08 0.00 -0.60 0.00 0.00 56.93 58.12 3mr0 s PHE 92 Cb -0.17 -2.66 -0.04 0.00 0.51 0.00 0.00 43.02 40.65 3mr0 s PHE 92 CO 0.14 0.52 -0.16 1.03 0.70 0.00 0.00 175.22 177.44 3mr0 s ARG 93 N -0.99 1.29 -0.01 0.44 1.81 -0.64 -4.94 118.95 115.91 3mr0 s ARG 93 Ca 0.33 -1.48 -0.17 0.00 -1.72 0.00 0.00 55.73 52.69 3mr0 s ARG 93 Cb -0.21 -1.22 -0.06 0.00 -0.45 0.00 0.00 34.95 33.01 3mr0 s ARG 93 CO 0.23 0.23 0.47 -1.58 -0.68 0.00 0.00 175.30 173.97 3mr0 s TRP 94 N -2.46 3.70 0.10 -0.53 0.52 -1.26 -1.43 118.94 117.57 3mr0 s TRP 94 Ca 0.19 1.05 0.09 0.00 0.02 0.00 0.00 56.10 57.44 3mr0 s TRP 94 Cb -0.04 -2.42 -0.03 0.00 -1.15 0.00 0.00 33.47 29.84 3mr0 s TRP 94 CO 0.07 0.51 -0.23 0.96 0.02 0.00 0.00 176.95 178.28 3mr0 s ILE 95 N -0.65 1.86 -0.15 2.03 -4.36 -0.03 -1.30 121.20 118.59 3mr0 s ILE 95 Ca 0.26 -1.53 -0.14 0.00 -0.26 0.00 0.00 60.65 58.98 3mr0 s ILE 95 Cb -0.17 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 3mr0 s ILE 95 CO 0.14 0.05 0.31 -1.58 0.24 0.00 0.00 174.94 174.10 3mr0 s GLN 96 N -1.78 4.23 -0.14 0.37 0.74 -1.26 -1.13 119.66 120.70 3mr0 s GLN 96 Ca 0.09 0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.66 3mr0 s GLN 96 Cb -0.10 -3.41 0.01 0.00 1.10 0.00 0.00 33.01 30.61 3mr0 s GLN 96 CO 0.04 0.26 -0.20 0.45 -0.55 0.00 0.00 175.29 175.29 3mr0 s SER 97 N 0.39 2.97 0.25 6.67 0.15 0.90 -4.25 113.70 120.78 3mr0 s SER 97 Ca 0.18 -0.57 0.11 0.00 0.70 0.00 0.00 55.95 56.36 3mr0 s SER 97 Cb -0.13 -1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 62.76 3mr0 s SER 97 CO 0.05 0.05 -0.15 -0.13 1.20 0.00 0.00 173.24 174.26 3mr0 s ARG 98 N 0.94 1.82 0.00 5.44 0.52 -1.06 -0.77 118.95 125.84 3mr0 s ARG 98 Ca -0.05 -1.59 0.00 0.00 -0.52 0.00 0.00 55.73 53.57 3mr0 s ARG 98 Cb -0.15 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.41 3mr0 s ARG 98 CO -0.04 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.06 3mr0 n GLY 99 N -0.42 0.37 2.74 -3.53 0.00 -0.98 -2.16 105.19 101.21 3mr0 n GLY 99 Ca -0.07 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 3mr0 n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mr0 s GLN 100 N -2.00 -0.04 0.57 1.61 2.00 -0.35 -4.19 119.66 117.25 3mr0 s GLN 100 Ca 0.00 0.38 -0.08 0.00 -2.00 0.00 0.00 55.36 53.66 3mr0 s GLN 100 Cb 0.00 -0.39 -0.02 0.00 0.80 0.00 0.00 33.01 33.39 3mr0 s GLN 100 CO 0.00 -0.28 0.91 0.00 -0.50 0.00 0.00 175.29 175.42 3mr0 s ALA 101 N 1.92 3.24 -0.07 1.58 0.00 -1.26 -1.22 121.76 125.95 3mr0 s ALA 101 Ca 0.01 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.60 3mr0 s ALA 101 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3mr0 s ALA 101 CO -0.04 -0.62 -0.19 -0.51 0.00 0.00 0.00 175.76 174.40 3mr0 s LEU 102 N -4.98 1.92 0.06 0.00 1.02 0.77 -4.96 118.68 112.51 3mr0 s LEU 102 Ca 0.52 -0.44 0.06 0.00 0.02 0.00 0.00 54.13 54.30 3mr0 s LEU 102 Cb -0.11 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.92 3mr0 s LEU 102 CO 0.48 0.13 -0.12 0.26 0.02 0.00 0.00 176.35 177.12 3mr0 s TRP 103 N 0.32 2.70 0.60 0.29 0.51 -1.26 -0.81 118.94 121.29 3mr0 s TRP 103 Ca -0.13 -0.17 -0.10 0.00 -2.12 0.00 0.00 56.10 53.58 3mr0 s TRP 103 Cb -0.16 -1.47 0.14 0.00 -0.81 0.00 0.00 33.47 31.17 3mr0 s TRP 103 CO 0.06 0.36 0.81 0.27 -0.51 0.00 0.00 176.95 177.94 3mr0 n ASN 104 N 1.16 0.11 0.10 2.95 0.23 0.02 -4.89 115.26 114.94 3mr0 n ASN 104 Ca -0.15 -1.32 0.11 0.00 -0.53 0.00 0.00 54.58 52.69 3mr0 n ASN 104 Cb 0.52 -0.62 0.46 0.00 -2.08 0.00 0.00 39.78 38.06 3mr0 n ASN 104 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3mr0 n SER 105 N -3.50 0.54 -0.24 0.53 3.41 -1.26 -1.83 113.62 111.28 3mr0 n SER 105 Ca 0.10 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.45 3mr0 n SER 105 Cb 0.36 -0.75 0.52 0.00 -0.26 0.00 0.00 64.21 64.08 3mr0 n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mr0 n ALA 106 N -1.72 2.58 -1.00 7.33 0.00 -1.26 -4.92 120.51 121.52 3mr0 n ALA 106 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3mr0 n ALA 106 Cb 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3mr0 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mr0 n GLY 107 N 0.96 0.46 3.84 0.00 0.00 -0.76 -5.04 105.19 104.66 3mr0 n GLY 107 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3mr0 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mr0 s GLU 108 N -0.21 3.76 0.14 1.61 2.02 -1.26 -4.83 118.70 119.93 3mr0 s GLU 108 Ca 0.00 0.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.87 3mr0 s GLU 108 Cb 0.00 -3.23 -0.07 0.00 0.10 0.00 0.00 34.13 30.94 3mr0 s GLU 108 CO 0.00 0.69 1.14 -2.14 0.02 0.00 0.00 175.26 174.97 3mr0 s PRO 109 N -0.93 4.53 -0.00 0.39 0.02 -1.26 -0.80 135.00 136.94 3mr0 s PRO 109 Ca 0.20 1.74 0.04 0.00 0.02 0.00 0.00 61.00 63.01 3mr0 s PRO 109 Cb -0.15 -3.30 -0.06 0.00 0.02 0.00 0.00 34.50 31.02 3mr0 s PRO 109 CO 0.09 -0.05 0.15 2.48 -0.33 0.00 0.00 177.00 179.34 3mr0 n TYR 110 N 2.88 0.00 -3.07 6.54 0.18 0.01 -4.59 117.16 119.11 3mr0 n TYR 110 Ca 0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.83 3mr0 n TYR 110 Cb 0.46 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 3mr0 n TYR 110 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 3mr0 n ARG 111 N -1.34 0.00 -3.64 -3.48 0.63 -1.19 -4.35 116.66 103.29 3mr0 n ARG 111 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 3mr0 n ARG 111 Cb 0.09 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.93 3mr0 n ARG 111 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3mr0 s VAL 113 N -2.71 0.00 0.00 5.15 1.01 -0.36 -0.17 120.40 123.33 3mr0 s VAL 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3mr0 s VAL 113 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3mr0 s VAL 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3mr0 n GLY 114 N 2.02 1.56 3.20 4.51 0.00 -0.53 -1.21 105.19 114.75 3mr0 n GLY 114 Ca -0.12 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 3mr0 n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3mr0 s TRP 115 N -4.31 1.15 0.00 1.61 1.48 -0.92 -0.26 118.94 117.69 3mr0 s TRP 115 Ca 0.00 -1.36 0.00 0.00 -1.06 0.00 0.00 56.10 53.68 3mr0 s TRP 115 Cb 0.00 -0.57 0.00 0.00 -1.16 0.00 0.00 33.47 31.74 3mr0 s TRP 115 CO 0.00 -0.61 0.00 0.44 -4.06 0.00 0.00 176.95 172.72 3mr0 n ILE 116 N -0.27 0.00 -4.02 0.66 -5.35 0.50 -2.56 119.36 108.32 3mr0 n ILE 116 Ca 0.01 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.18 3mr0 n ILE 116 Cb 0.66 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.40 3mr0 n ILE 116 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3mr0 s ASP 118 N -0.45 3.81 -0.25 7.28 -1.08 -1.26 -0.99 116.67 123.73 3mr0 s ASP 118 Ca 0.00 -1.09 0.12 0.00 -0.52 0.00 0.00 52.55 51.05 3mr0 s ASP 118 Cb 0.00 -1.34 0.49 0.00 -1.46 0.00 0.00 42.92 40.61 3mr0 s ASP 118 CO 0.00 -0.17 1.42 1.33 0.52 0.00 0.00 175.17 178.28 3mr0 n VAL 119 N 4.60 2.43 0.07 1.11 0.24 -0.42 -4.82 118.33 121.54 3mr0 n VAL 119 Ca -0.14 -2.53 -0.12 0.00 -2.04 0.00 0.00 64.34 59.51 3mr0 n VAL 119 Cb 0.45 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.46 3mr0 n VAL 119 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3mr0 h THR 120 N 1.12 0.77 -0.78 3.34 2.02 -1.94 -2.32 112.91 115.12 3mr0 h THR 120 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3mr0 h THR 120 Cb 1.54 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 3mr0 h THR 120 CO 0.31 0.00 0.39 0.44 0.37 0.00 0.00 175.52 177.03 3mr0 h ASP 121 N -0.19 1.00 -0.60 4.18 3.32 -1.93 0.47 116.42 122.66 3mr0 h ASP 121 Ca 0.02 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3mr0 h ASP 121 Cb 0.21 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3mr0 h ASP 121 CO -0.06 0.83 0.29 -0.09 -1.72 0.00 0.00 179.24 178.49 3mr0 h ARG 122 N 1.10 0.87 -0.14 3.56 2.43 -1.92 -2.47 114.38 117.81 3mr0 h ARG 122 Ca 0.27 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 3mr0 h ARG 122 Cb 0.09 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3mr0 h ARG 122 CO -0.04 0.70 -0.28 0.87 -1.51 0.00 0.00 179.97 179.71 3mr0 h LYS 123 N 0.83 0.25 -0.20 0.20 1.79 -0.65 -0.92 116.57 117.87 3mr0 h LYS 123 Ca 0.21 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3mr0 h LYS 123 Cb 0.12 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3mr0 h LYS 123 CO -0.03 0.52 0.11 0.00 -1.08 0.00 0.00 179.45 178.97 3mr0 h ARG 124 N 0.23 0.28 -0.11 3.15 3.08 -0.84 -2.02 114.38 118.15 3mr0 h ARG 124 Ca 0.03 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 3mr0 h ARG 124 Cb 0.62 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3mr0 h ARG 124 CO 0.04 0.27 -0.71 -0.44 -1.07 0.00 0.00 179.97 178.07 3mr0 h ASP 125 N 0.22 0.59 -0.42 7.04 3.32 -1.08 -0.56 116.42 125.53 3mr0 h ASP 125 Ca 0.07 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 3mr0 h ASP 125 Cb 0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3mr0 h ASP 125 CO -0.01 1.12 0.25 -0.33 -1.72 0.00 0.00 179.24 178.56 3mr0 h GLU 126 N 0.35 0.58 -0.40 3.56 5.08 -1.20 -0.18 114.58 122.38 3mr0 h GLU 126 Ca -0.03 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3mr0 h GLU 126 Cb 1.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3mr0 h GLU 126 CO 0.13 0.43 -0.29 0.22 -1.00 0.00 0.00 179.01 178.50 3mr0 h ASP 127 N 0.56 0.94 -0.42 1.42 3.58 -1.30 0.41 116.42 121.62 3mr0 h ASP 127 Ca 0.15 -0.44 0.08 0.00 0.42 0.00 0.00 57.03 57.25 3mr0 h ASP 127 Cb 0.00 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 40.72 3mr0 h ASP 127 CO -0.03 1.18 -0.06 0.00 -2.88 0.00 0.00 179.24 177.45 3mr0 h ALA 128 N 0.79 0.33 -0.17 -0.78 0.00 -0.96 0.25 119.26 118.71 3mr0 h ALA 128 Ca 0.08 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3mr0 h ALA 128 Cb 0.87 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3mr0 h ALA 128 CO 0.08 -0.43 0.10 1.25 0.00 0.00 0.00 179.25 180.25 3mr0 h LEU 129 N 0.04 0.21 -0.71 0.00 5.85 -0.87 -1.91 115.31 117.91 3mr0 h LEU 129 Ca 0.20 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.96 3mr0 h LEU 129 Cb 0.31 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3mr0 h LEU 129 CO -0.40 0.21 0.36 -0.09 -0.34 0.00 0.00 178.44 178.18 3mr0 h ARG 130 N 0.19 0.60 -0.38 1.25 2.43 -0.15 -1.14 114.38 117.19 3mr0 h ARG 130 Ca 0.06 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3mr0 h ARG 130 Cb 0.04 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3mr0 h ARG 130 CO -0.01 0.40 -0.12 0.28 -1.51 0.00 0.00 179.97 179.01 3mr0 h VAL 131 N 0.62 1.28 -0.70 0.20 2.07 -0.38 -2.33 116.25 117.00 3mr0 h VAL 131 Ca 0.35 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.75 3mr0 h VAL 131 Cb 0.35 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 3mr0 h VAL 131 CO -0.26 0.40 0.33 0.28 0.02 0.00 0.00 177.57 178.35 3mr0 h SER 132 N 0.55 0.41 -0.36 0.57 0.02 -0.65 -1.15 113.55 112.95 3mr0 h SER 132 Ca 0.09 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3mr0 h SER 132 Cb 0.65 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3mr0 h SER 132 CO 0.04 0.23 0.10 0.03 -1.14 0.00 0.00 176.83 176.10 3mr0 h ARG 133 N 0.56 0.57 0.25 3.45 3.08 -1.13 -2.22 114.38 118.93 3mr0 h ARG 133 Ca 0.35 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3mr0 h ARG 133 Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3mr0 h ARG 133 CO -0.29 0.60 -0.26 1.49 -1.07 0.00 0.00 179.97 180.44 3mr0 h GLU 134 N 0.43 -0.53 -0.56 0.04 4.81 -1.12 -2.24 114.58 115.41 3mr0 h GLU 134 Ca 0.11 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3mr0 h GLU 134 Cb 0.27 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3mr0 h GLU 134 CO -0.00 -0.35 0.38 0.93 -0.73 0.00 0.00 179.01 179.23 3mr0 h GLU 135 N -0.55 0.54 -0.22 1.92 5.08 -1.21 -1.33 114.58 118.82 3mr0 h GLU 135 Ca -0.00 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3mr0 h GLU 135 Cb 0.51 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3mr0 h GLU 135 CO -0.06 0.36 -0.42 1.25 -1.00 0.00 0.00 179.01 179.13 3mr0 h LEU 136 N 0.56 0.56 -0.77 1.33 5.85 -1.15 -2.58 115.31 119.13 3mr0 h LEU 136 Ca 0.24 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3mr0 h LEU 136 Cb 0.24 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3mr0 h LEU 136 CO -0.07 0.92 0.00 0.03 -0.34 0.00 0.00 178.44 178.98 3mr0 h ARG 137 N 0.43 0.00 -0.01 1.25 3.08 -0.65 -2.70 114.38 115.79 3mr0 h ARG 137 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3mr0 h ARG 137 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3mr0 h ARG 137 CO 0.08 0.00 -0.07 0.54 -1.07 0.00 0.00 179.97 179.45 3mr0 n ARG 138 N -2.46 1.13 0.00 0.04 3.00 -0.89 -5.11 116.66 112.38 3mr0 n ARG 138 Ca 0.02 -0.51 0.13 0.00 -0.01 0.00 0.00 57.85 57.49 3mr0 n ARG 138 Cb 0.28 -1.49 0.33 0.00 0.00 0.00 0.00 32.46 31.58 3mr0 n ARG 138 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91