#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr0 h ARG 7 N 0.00 -0.16 -0.52 5.31 3.08 -2.04 -2.58 114.38 117.47 3mr0 h ARG 7 Ca 0.00 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3mr0 h ARG 7 Cb 0.00 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 29.98 3mr0 h ARG 7 CO 0.00 -0.11 -0.22 0.35 -1.07 0.00 0.00 179.97 178.92 3mr0 h PHE 8 N -0.16 -0.57 0.06 3.04 3.57 -2.04 0.27 116.94 121.12 3mr0 h PHE 8 Ca 0.18 0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.55 3mr0 h PHE 8 Cb 0.44 0.33 0.02 0.00 2.79 0.00 0.00 35.95 39.53 3mr0 h PHE 8 CO -0.43 -0.31 -0.76 1.96 -2.23 0.00 0.00 178.31 176.54 3mr0 h GLN 9 N -0.10 0.40 -0.93 1.11 1.08 -1.98 -0.26 115.11 114.43 3mr0 h GLN 9 Ca 0.24 -0.52 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 3mr0 h GLN 9 Cb 0.48 0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.03 3mr0 h GLN 9 CO -0.59 1.19 0.55 -0.07 -0.95 0.00 0.00 178.83 178.97 3mr0 h LEU 10 N -0.15 1.12 -0.29 1.46 3.38 -1.13 0.23 115.31 119.94 3mr0 h LEU 10 Ca -0.11 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3mr0 h LEU 10 Cb 1.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3mr0 h LEU 10 CO 0.15 0.86 -0.17 0.00 0.09 0.00 0.00 178.44 179.37 3mr0 h ALA 11 N 1.30 0.41 -0.56 1.53 0.00 -0.56 -1.77 119.26 119.62 3mr0 h ALA 11 Ca 0.33 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3mr0 h ALA 11 Cb -0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.54 3mr0 h ALA 11 CO -0.06 0.33 -0.46 0.28 0.00 0.00 0.00 179.25 179.34 3mr0 h VAL 12 N 0.38 0.07 -0.19 0.00 2.07 0.03 1.73 116.25 120.34 3mr0 h VAL 12 Ca 0.06 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.47 3mr0 h VAL 12 Cb 0.71 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3mr0 h VAL 12 CO 0.05 0.00 -0.36 -1.28 0.02 0.00 0.00 177.57 176.00 3mr0 h SER 13 N -0.25 0.42 0.67 0.57 0.87 -0.63 -1.67 113.55 113.53 3mr0 h SER 13 Ca 0.16 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3mr0 h SER 13 Cb 0.56 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3mr0 h SER 13 CO -0.68 0.75 -0.50 1.23 -0.53 0.00 0.00 176.83 177.10 3mr0 h GLY 14 N 1.11 0.00 1.41 5.77 0.00 -0.44 -3.21 103.07 107.72 3mr0 h GLY 14 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3mr0 h GLY 14 CO 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.43 3mr0 n ALA 15 N -2.38 2.80 -3.35 3.60 0.00 0.58 -4.92 120.51 116.84 3mr0 n ALA 15 Ca -0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 3mr0 n ALA 15 Cb 0.55 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.36 -5.78 -4.91 0.00 2.88 -0.76 -4.99 113.62 98.71 3mr0 n SER 16 Ca 0.09 -0.44 -0.32 0.00 -1.33 0.00 0.00 58.87 56.86 3mr0 n SER 16 Cb 0.32 -4.63 -0.05 0.00 -0.75 0.00 0.00 64.21 59.11 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 -3.21 3.97 0.10 -1.46 0.00 -0.70 -4.67 121.76 115.78 3mr0 s ALA 17 Ca 0.45 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 3mr0 s ALA 17 Cb -0.21 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 3mr0 s ALA 17 CO 0.55 0.77 0.38 0.20 0.00 0.00 0.00 175.76 177.67 3mr0 s GLY 18 N -2.15 2.29 0.01 0.00 0.00 0.31 -4.66 107.32 103.11 3mr0 s GLY 18 Ca 0.31 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.58 3mr0 s GLY 18 CO 0.22 -0.29 0.04 1.08 0.00 0.00 0.00 173.10 174.15 3mr0 s LEU 19 N -2.16 3.71 0.04 0.66 1.43 -1.26 -0.38 118.68 120.71 3mr0 s LEU 19 Ca 0.35 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3mr0 s LEU 19 Cb -0.13 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3mr0 s LEU 19 CO 0.20 0.26 -0.01 -1.66 0.23 0.00 0.00 176.35 175.37 3mr0 s TRP 20 N -1.18 0.37 -0.17 0.29 1.48 -0.76 -1.70 118.94 117.27 3mr0 s TRP 20 Ca 0.22 -0.77 -0.04 0.00 -1.06 0.00 0.00 56.10 54.45 3mr0 s TRP 20 Cb -0.12 -0.27 0.08 0.00 -1.16 0.00 0.00 33.47 32.00 3mr0 s TRP 20 CO 0.14 -0.30 0.21 0.34 -4.06 0.00 0.00 176.95 173.28 3mr0 s ASP 21 N -2.22 1.13 -0.07 -2.66 -1.08 -0.80 -1.88 116.67 109.10 3mr0 s ASP 21 Ca -0.04 -0.01 0.02 0.00 -0.52 0.00 0.00 52.55 52.00 3mr0 s ASP 21 Cb -0.01 0.40 -0.03 0.00 -1.46 0.00 0.00 42.92 41.83 3mr0 s ASP 21 CO -0.06 -0.30 -0.12 0.86 0.52 0.00 0.00 175.17 176.08 3mr0 s TRP 22 N 2.33 2.79 -0.39 -5.34 -0.00 -1.26 0.76 118.94 117.83 3mr0 s TRP 22 Ca 0.05 -0.20 -0.16 0.00 -0.00 0.00 0.00 56.10 55.79 3mr0 s TRP 22 Cb -0.15 -1.70 0.01 0.00 -0.00 0.00 0.00 33.47 31.64 3mr0 s TRP 22 CO -0.10 0.15 0.39 1.21 -0.00 0.00 0.00 176.95 178.60 3mr0 s ASN 23 N -0.53 6.17 0.19 5.86 3.84 0.22 -4.32 114.94 126.38 3mr0 s ASN 23 Ca 0.07 -0.57 0.21 0.00 0.21 0.00 0.00 52.86 52.78 3mr0 s ASN 23 Cb -0.12 -2.20 0.88 0.00 -0.55 0.00 0.00 41.25 39.26 3mr0 s ASN 23 CO 0.02 -0.48 1.63 -2.65 -2.79 0.00 0.00 177.10 172.82 3mr0 n PRO 24 N 5.46 0.14 -0.02 0.43 -0.02 -1.26 -0.31 135.00 139.42 3mr0 n PRO 24 Ca -0.08 0.40 -0.16 0.00 -2.02 0.00 0.00 63.50 61.63 3mr0 n PRO 24 Cb 0.48 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 3mr0 n PRO 24 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mr0 n LYS 25 N -2.04 0.71 -0.07 -0.52 5.02 -1.26 -4.48 118.16 115.51 3mr0 n LYS 25 Ca 0.02 0.26 -0.07 0.00 -2.02 0.00 0.00 58.31 56.50 3mr0 n LYS 25 Cb 0.20 -1.72 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 3mr0 n LYS 25 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3mr0 n THR 26 N -3.29 0.99 -0.06 -0.18 -2.24 -1.21 -5.02 114.28 103.26 3mr0 n THR 26 Ca -0.28 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3mr0 n THR 26 Cb 1.05 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3mr0 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr0 n GLY 27 N 2.02 0.46 3.05 3.38 0.00 0.57 -5.06 105.19 109.61 3mr0 n GLY 27 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.75 -3.27 -3.67 4.61 0.00 -1.25 -4.62 120.51 110.57 3mr0 n ALA 28 Ca 0.00 -1.43 -0.22 0.00 0.00 0.00 0.00 53.44 51.80 3mr0 n ALA 28 Cb 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.64 0.87 -0.34 0.00 5.04 0.23 -0.61 117.35 119.90 3mr0 s TYR 30 Ca 0.62 -0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 54.95 3mr0 s TYR 30 Cb -0.07 -0.79 0.08 0.00 0.35 0.00 0.00 41.96 41.53 3mr0 s TYR 30 CO 0.48 -0.26 0.08 -0.51 -1.34 0.00 0.00 175.55 174.01 3mr0 s LEU 31 N 1.19 4.49 0.93 6.97 1.43 0.65 -1.90 118.68 132.44 3mr0 s LEU 31 Ca -0.07 -1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 51.30 3mr0 s LEU 31 Cb -0.14 -1.75 0.15 0.00 0.03 0.00 0.00 46.19 44.48 3mr0 s LEU 31 CO -0.01 -0.38 1.14 -0.94 0.23 0.00 0.00 176.35 176.39 3mr0 s SER 32 N 1.44 2.81 0.35 2.29 1.04 -0.69 -4.74 113.70 116.19 3mr0 s SER 32 Ca 0.01 2.15 0.07 0.00 0.48 0.00 0.00 55.95 58.67 3mr0 s SER 32 Cb -0.21 -2.55 0.76 0.00 0.10 0.00 0.00 66.02 64.12 3mr0 s SER 32 CO -0.03 -3.17 1.89 -0.65 0.98 0.00 0.00 173.24 172.26 3mr0 h PRO 33 N -1.92 0.73 0.00 4.02 0.11 -1.94 -2.06 132.00 130.95 3mr0 h PRO 33 Ca -0.44 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3mr0 h PRO 33 Cb 1.27 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3mr0 h PRO 33 CO 0.42 0.48 -0.42 1.25 -0.21 0.00 0.00 178.00 179.52 3mr0 h HIS 34 N 0.75 0.00 -0.39 0.65 2.76 -1.89 -1.33 115.15 115.70 3mr0 h HIS 34 Ca 0.41 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.62 3mr0 h HIS 34 Cb 0.55 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 3mr0 h HIS 34 CO -0.00 0.42 0.17 0.35 -1.30 0.00 0.00 177.93 177.57 3mr0 h PHE 35 N 0.00 0.31 -0.03 5.26 3.57 -1.66 -1.15 116.94 123.24 3mr0 h PHE 35 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3mr0 h PHE 35 Cb 1.06 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3mr0 h PHE 35 CO 0.00 0.15 0.01 0.87 -2.23 0.00 0.00 178.31 177.11 3mr0 h LYS 36 N 0.35 0.04 -0.66 1.11 1.57 -1.00 -2.96 116.57 115.02 3mr0 h LYS 36 Ca 0.17 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.07 3mr0 h LYS 36 Cb 0.11 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 3mr0 h LYS 36 CO -0.15 0.17 0.18 -0.22 -0.57 0.00 0.00 179.45 178.86 3mr0 h LYS 37 N -0.10 0.30 -1.51 3.15 1.63 -0.99 -0.89 116.57 118.15 3mr0 h LYS 37 Ca 0.01 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3mr0 h LYS 37 Cb 0.14 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3mr0 h LYS 37 CO -0.00 0.20 0.00 -0.89 -3.45 0.00 0.00 179.45 175.31 3mr0 n ILE 38 N -5.10 0.00 -0.59 2.00 5.41 -0.46 -4.19 119.36 116.43 3mr0 n ILE 38 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 3mr0 n ILE 38 Cb 0.37 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 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 0.82 -0.30 3.69 7.39 0.00 -0.43 -4.94 105.19 111.42 3mr0 n GLY 40 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.21 3.24 0.70 1.61 2.02 -0.67 -4.63 117.35 119.41 3mr0 s TYR 41 Ca 0.00 0.19 -0.16 0.00 -0.37 0.00 0.00 57.07 56.74 3mr0 s TYR 41 Cb 0.00 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3mr0 s TYR 41 CO 0.00 0.42 1.19 -1.21 -1.57 0.00 0.00 175.55 174.38 3mr0 s GLU 42 N -0.58 2.38 0.00 -0.62 0.41 -1.26 -2.88 118.70 116.14 3mr0 s GLU 42 Ca 0.10 1.69 0.11 0.00 -0.41 0.00 0.00 54.97 56.47 3mr0 s GLU 42 Cb -0.12 -1.87 0.51 0.00 -1.78 0.00 0.00 34.13 30.87 3mr0 s GLU 42 CO 0.02 -1.63 1.32 -3.47 -0.49 0.00 0.00 175.26 171.01 3mr0 n ASP 43 N -2.50 0.00 -0.09 -0.19 2.03 -1.26 -1.17 116.55 113.36 3mr0 n ASP 43 Ca 0.13 0.37 0.02 0.00 0.52 0.00 0.00 54.79 55.83 3mr0 n ASP 43 Cb 0.50 -0.43 -0.00 0.00 -0.72 0.00 0.00 41.12 40.48 3mr0 n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mr0 n HIS 44 N -1.43 0.00 0.06 -0.67 1.44 -1.26 -4.46 115.22 108.90 3mr0 n HIS 44 Ca 0.04 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.70 3mr0 n HIS 44 Cb 0.12 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.14 3mr0 n HIS 44 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3mr0 h GLU 45 N 0.46 0.00 -6.10 -1.40 5.08 -1.51 -3.46 114.58 107.65 3mr0 h GLU 45 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3mr0 h GLU 45 Cb 0.14 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.27 3mr0 h GLU 45 CO 0.00 0.73 -0.62 -0.51 -1.00 0.00 0.00 179.01 177.62 3mr0 s LEU 46 N -6.47 3.65 0.66 1.33 1.43 -1.23 -5.02 118.68 113.03 3mr0 s LEU 46 Ca 0.00 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 52.97 3mr0 s LEU 46 Cb 0.09 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3mr0 s LEU 46 CO 0.80 0.28 1.20 -2.65 0.23 0.00 0.00 176.35 176.21 3mr0 n PRO 47 N 1.32 0.96 -0.09 1.29 -0.02 -1.26 -4.93 135.00 132.26 3mr0 n PRO 47 Ca -0.14 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.61 3mr0 n PRO 47 Cb 0.53 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 3mr0 n PRO 47 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3mr0 h ASP 48 N 0.35 0.50 -3.59 2.55 3.32 -1.89 -3.40 116.42 114.26 3mr0 h ASP 48 Ca -0.50 -0.35 -0.67 0.00 0.02 0.00 0.00 57.03 55.53 3mr0 h ASP 48 Cb 1.34 -0.14 -0.34 0.00 0.22 0.00 0.00 39.33 40.41 3mr0 h ASP 48 CO 0.52 0.73 -0.78 -0.70 -1.72 0.00 0.00 179.24 177.29 3mr0 s GLU 49 N -4.82 2.61 0.64 3.56 2.12 -1.26 -0.25 118.70 121.30 3mr0 s GLU 49 Ca -0.13 -1.12 -0.04 0.00 0.36 0.00 0.00 54.97 54.04 3mr0 s GLU 49 Cb 0.08 -2.91 0.05 0.00 0.26 0.00 0.00 34.13 31.60 3mr0 s GLU 49 CO 0.76 -0.45 0.92 0.96 -0.54 0.00 0.00 175.26 176.91 3mr0 s ILE 50 N 1.23 2.53 -0.41 -3.70 -4.36 -1.26 -4.98 121.20 110.25 3mr0 s ILE 50 Ca -0.03 -0.39 0.11 0.00 -0.26 0.00 0.00 60.65 60.08 3mr0 s ILE 50 Cb -0.18 -3.04 0.37 0.00 1.25 0.00 0.00 42.46 40.87 3mr0 s ILE 50 CO -0.06 -0.04 0.85 0.41 0.24 0.00 0.00 174.94 176.34 3mr0 n THR 51 N -2.69 0.97 0.00 8.37 -1.04 -1.26 -4.30 114.28 114.32 3mr0 n THR 51 Ca 0.08 -4.57 0.00 0.00 -2.04 0.00 0.00 64.05 57.51 3mr0 n THR 51 Cb 0.60 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 0.04 0.00 0.00 -2.82 0.00 -1.26 -4.73 120.64 111.87 3mr0 n GLU 55 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.55 3mr0 n GLU 55 Cb 0.63 0.00 0.62 0.00 0.00 0.00 0.00 31.44 32.69 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 0.52 -4.78 4.31 3.41 -1.26 -4.88 113.62 110.93 3mr0 n SER 56 Ca 0.00 -0.67 -0.36 0.00 -0.26 0.00 0.00 58.87 57.58 3mr0 n SER 56 Cb 0.00 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 3mr0 n SER 56 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3mr0 s ILE 57 N -2.41 3.84 0.31 -1.33 1.01 -1.26 -0.12 121.20 121.24 3mr0 s ILE 57 Ca 0.31 1.41 -0.29 0.00 0.00 0.00 0.00 60.65 62.07 3mr0 s ILE 57 Cb 0.20 -3.73 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 3mr0 s ILE 57 CO 0.46 0.01 1.38 1.57 0.00 0.00 0.00 174.94 178.36 3mr0 n HIS 58 N -0.01 2.41 -0.15 3.97 -0.00 -0.01 -4.81 115.22 116.62 3mr0 n HIS 58 Ca 0.05 0.47 0.15 0.00 -0.00 0.00 0.00 57.72 58.39 3mr0 n HIS 58 Cb 0.50 -2.46 0.52 0.00 -0.00 0.00 0.00 29.99 28.54 3mr0 n HIS 58 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3mr0 h PRO 59 N 3.30 0.38 0.00 1.57 0.11 -1.93 0.11 132.00 135.53 3mr0 h PRO 59 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mr0 h PRO 59 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mr0 h PRO 59 CO 0.68 0.25 0.00 -0.25 -0.21 0.00 0.00 178.00 178.47 3mr0 n ASP 60 N -4.47 0.00 -0.00 -2.05 8.00 -1.26 -3.25 116.55 113.51 3mr0 n ASP 60 Ca 0.14 -0.70 0.03 0.00 0.71 0.00 0.00 54.79 54.96 3mr0 n ASP 60 Cb 0.52 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 3mr0 n ASP 60 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mr0 n ASP 61 N -1.09 1.89 -0.20 -2.24 8.00 0.33 -4.78 116.55 118.46 3mr0 n ASP 61 Ca 0.20 -0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.28 3mr0 n ASP 61 Cb 0.15 1.12 0.02 0.00 -0.02 0.00 0.00 41.12 42.39 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 1.01 0.08 -1.24 2.43 -1.42 -2.48 114.38 112.76 3mr0 h ARG 62 Ca 0.00 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3mr0 h ARG 62 Cb 0.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3mr0 h ARG 62 CO 0.00 1.00 -0.04 0.00 -1.51 0.00 0.00 179.97 179.42 3mr0 h ALA 63 N 0.97 -0.11 -0.73 2.80 0.00 -1.86 -2.35 119.26 117.99 3mr0 h ALA 63 Ca 0.16 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3mr0 h ALA 63 Cb 0.54 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 3mr0 h ALA 63 CO 0.03 -0.47 0.31 -0.09 0.00 0.00 0.00 179.25 179.03 3mr0 h ARG 64 N -0.27 0.48 -0.06 0.00 2.43 -1.86 -0.90 114.38 114.20 3mr0 h ARG 64 Ca -0.01 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 3mr0 h ARG 64 Cb 0.23 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3mr0 h ARG 64 CO 0.02 0.32 -0.87 0.28 -1.51 0.00 0.00 179.97 178.21 3mr0 h VAL 65 N 0.50 1.33 -0.66 0.20 2.07 -1.44 -1.35 116.25 116.90 3mr0 h VAL 65 Ca 0.38 -2.20 0.07 0.00 0.82 0.00 0.00 66.70 65.77 3mr0 h VAL 65 Cb 0.51 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 3mr0 h VAL 65 CO -0.35 0.67 0.35 0.25 0.02 0.00 0.00 177.57 178.51 3mr0 h LEU 66 N 0.37 0.49 -0.54 2.57 5.85 -1.13 0.25 115.31 123.17 3mr0 h LEU 66 Ca -0.07 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 3mr0 h LEU 66 Cb 1.49 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3mr0 h LEU 66 CO 0.16 0.31 -0.38 0.00 -0.34 0.00 0.00 178.44 178.19 3mr0 h ALA 67 N 1.36 0.72 -0.46 1.25 0.00 -0.97 0.41 119.26 121.57 3mr0 h ALA 67 Ca 0.30 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3mr0 h ALA 67 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3mr0 h ALA 67 CO -0.21 0.66 -0.21 0.00 0.00 0.00 0.00 179.25 179.50 3mr0 h ALA 68 N 0.94 0.75 0.39 0.00 0.00 -0.97 -2.33 119.26 118.05 3mr0 h ALA 68 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3mr0 h ALA 68 Cb 0.93 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3mr0 h ALA 68 CO 0.09 0.66 -0.19 1.25 0.00 0.00 0.00 179.25 181.06 3mr0 h LEU 69 N 0.81 -0.45 -1.68 0.00 5.85 -0.67 -1.87 115.31 117.30 3mr0 h LEU 69 Ca 0.11 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3mr0 h LEU 69 Cb 0.77 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3mr0 h LEU 69 CO 0.06 -0.10 0.20 0.50 -0.34 0.00 0.00 178.44 178.76 3mr0 h LYS 70 N -0.83 0.41 -0.31 1.25 3.64 -0.97 -0.72 116.57 119.04 3mr0 h LYS 70 Ca -0.05 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 3mr0 h LYS 70 Cb 0.54 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3mr0 h LYS 70 CO 0.09 0.28 -0.32 0.00 -2.27 0.00 0.00 179.45 177.23 3mr0 h ALA 71 N 1.80 0.87 -0.16 5.00 0.00 -1.39 -1.44 119.26 123.94 3mr0 h ALA 71 Ca 0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3mr0 h ALA 71 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3mr0 h ALA 71 CO -0.02 0.63 0.04 1.25 0.00 0.00 0.00 179.25 181.14 3mr0 h HIS 72 N 0.56 0.26 -0.11 0.00 -0.00 -0.32 -1.04 115.15 114.51 3mr0 h HIS 72 Ca 0.06 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 3mr0 h HIS 72 Cb 0.82 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.14 3mr0 h HIS 72 CO 0.04 0.40 -0.32 -0.07 -0.00 0.00 0.00 177.93 177.97 3mr0 h LEU 73 N 0.05 0.22 0.00 0.26 3.38 -1.11 -1.46 115.31 116.66 3mr0 h LEU 73 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3mr0 h LEU 73 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3mr0 h LEU 73 CO 0.00 0.54 -1.10 -0.62 0.09 0.00 0.00 178.44 177.35 3mr0 n GLU 74 N -4.10 1.34 0.00 1.13 1.02 -0.56 -4.65 120.64 114.83 3mr0 n GLU 74 Ca -0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3mr0 n GLU 74 Cb 0.41 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.62 0.00 -1.40 -0.32 8.25 -0.41 -5.02 115.22 114.70 3mr0 n HIS 75 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 3mr0 n HIS 75 Cb 0.31 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.39 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 0.00 -0.74 -1.99 -0.41 1.74 -0.55 -4.98 116.66 109.73 3mr0 n ARG 76 Ca 0.00 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.50 3mr0 n ARG 76 Cb 0.27 -4.79 -0.01 0.00 -1.02 0.00 0.00 32.46 26.91 3mr0 n ARG 76 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mr0 s ASP 77 N -2.85 6.59 0.13 0.55 1.01 -1.17 -4.91 116.67 116.03 3mr0 s ASP 77 Ca 0.00 2.83 -0.34 0.00 0.71 0.00 0.00 52.55 55.75 3mr0 s ASP 77 Cb 0.00 -2.66 -0.17 0.00 1.01 0.00 0.00 42.92 41.11 3mr0 s ASP 77 CO 0.00 -0.67 1.14 0.41 0.21 0.00 0.00 175.17 176.25 3mr0 n THR 78 N 0.65 0.68 -3.53 -1.27 -1.04 -1.26 -4.03 114.28 104.49 3mr0 n THR 78 Ca 0.00 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 61.43 3mr0 n THR 78 Cb 0.41 -0.66 -0.08 0.00 -1.82 0.00 0.00 70.33 68.18 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 -0.10 3.42 -0.24 -1.42 5.04 -1.26 -4.86 117.35 117.94 3mr0 s TYR 79 Ca 0.77 -1.87 -0.03 0.00 -2.44 0.00 0.00 57.07 53.50 3mr0 s TYR 79 Cb -0.93 -3.53 0.13 0.00 0.35 0.00 0.00 41.96 37.97 3mr0 s TYR 79 CO 0.52 -0.99 0.36 0.34 -1.34 0.00 0.00 175.55 174.44 3mr0 s ASP 80 N 2.66 0.31 -0.07 4.32 -1.08 -1.26 -2.39 116.67 119.16 3mr0 s ASP 80 Ca 0.06 0.23 -0.07 0.00 -0.52 0.00 0.00 52.55 52.26 3mr0 s ASP 80 Cb -0.26 1.06 0.02 0.00 -1.46 0.00 0.00 42.92 42.28 3mr0 s ASP 80 CO -0.01 -0.30 0.20 0.68 0.52 0.00 0.00 175.17 176.26 3mr0 s VAL 81 N 2.53 0.01 -0.12 1.11 -7.23 -0.64 -4.98 120.40 111.07 3mr0 s VAL 81 Ca 0.11 -0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.21 3mr0 s VAL 81 Cb -0.15 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 3mr0 s VAL 81 CO -0.15 -0.03 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.93 3mr0 s GLU 82 N -0.03 3.35 0.13 4.82 2.02 -1.26 -0.71 118.70 127.03 3mr0 s GLU 82 Ca -0.01 -0.57 -0.25 0.00 0.02 0.00 0.00 54.97 54.17 3mr0 s GLU 82 Cb -0.02 -2.76 0.07 0.00 0.10 0.00 0.00 34.13 31.52 3mr0 s GLU 82 CO 0.00 0.35 0.74 1.52 0.02 0.00 0.00 175.26 177.90 3mr0 s TYR 83 N 0.03 -0.38 -0.05 1.61 -0.85 -0.27 -4.97 117.35 112.48 3mr0 s TYR 83 Ca -0.01 0.14 -0.16 0.00 -0.52 0.00 0.00 57.07 56.52 3mr0 s TYR 83 Cb -0.14 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.74 3mr0 s TYR 83 CO 0.03 -0.82 0.44 1.03 -1.52 0.00 0.00 175.55 174.70 3mr0 s ARG 84 N -3.54 4.11 0.07 -3.49 0.52 -1.26 -0.47 118.95 114.89 3mr0 s ARG 84 Ca 0.05 0.43 0.08 0.00 -0.52 0.00 0.00 55.73 55.77 3mr0 s ARG 84 Cb -0.02 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 3mr0 s ARG 84 CO -0.07 0.47 -0.21 0.14 0.02 0.00 0.00 175.30 175.65 3mr0 s VAL 85 N -0.38 1.73 -0.08 3.52 -7.23 0.65 -0.83 120.40 117.78 3mr0 s VAL 85 Ca 0.24 -1.36 -0.25 0.00 -1.81 0.00 0.00 61.98 58.80 3mr0 s VAL 85 Cb -0.16 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 3mr0 s VAL 85 CO 0.12 0.10 0.77 -0.60 -0.31 0.00 0.00 175.10 175.18 3mr0 s ARG 86 N -1.50 4.43 0.45 4.82 3.52 0.82 -0.17 118.95 131.32 3mr0 s ARG 86 Ca 0.07 0.99 0.07 0.00 -0.13 0.00 0.00 55.73 56.74 3mr0 s ARG 86 Cb -0.09 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.82 3mr0 s ARG 86 CO 0.03 -0.04 0.40 0.95 -0.81 0.00 0.00 175.30 175.83 3mr0 s THR 87 N 1.11 2.42 0.52 4.11 -4.23 0.22 -4.95 115.64 114.85 3mr0 s THR 87 Ca 0.40 -1.37 0.31 0.00 -1.18 0.00 0.00 61.69 59.86 3mr0 s THR 87 Cb -0.18 -2.79 0.49 0.00 1.34 0.00 0.00 72.50 71.36 3mr0 s THR 87 CO 0.19 0.00 1.84 -0.09 -0.54 0.00 0.00 174.62 176.02 3mr0 h ARG 88 N 0.94 0.07 -0.12 3.99 2.43 -1.87 0.38 114.38 120.19 3mr0 h ARG 88 Ca -0.40 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.66 3mr0 h ARG 88 Cb 1.27 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3mr0 h ARG 88 CO 0.57 0.05 -0.40 0.66 -1.51 0.00 0.00 179.97 179.34 3mr0 h SER 89 N 0.07 0.28 0.00 -3.80 4.64 -1.94 -3.46 113.55 109.33 3mr0 h SER 89 Ca 0.50 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3mr0 h SER 89 Cb 1.86 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 3mr0 h SER 89 CO -0.05 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 3mr0 n GLY 90 N -0.20 2.21 3.77 -0.77 0.00 0.13 -5.10 105.19 105.24 3mr0 n GLY 90 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.83 6.61 0.10 1.61 1.01 -1.26 -4.73 116.67 118.18 3mr0 s ASP 91 Ca 0.00 2.82 -0.22 0.00 0.71 0.00 0.00 52.55 55.86 3mr0 s ASP 91 Cb 0.00 -2.66 -0.07 0.00 1.01 0.00 0.00 42.92 41.20 3mr0 s ASP 91 CO 0.00 -0.66 0.67 -0.36 0.21 0.00 0.00 175.17 175.03 3mr0 s PHE 92 N -1.11 3.84 0.16 4.23 0.40 -1.26 -0.61 117.98 123.63 3mr0 s PHE 92 Ca 0.51 1.43 0.11 0.00 -0.60 0.00 0.00 56.93 58.38 3mr0 s PHE 92 Cb -0.42 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 3mr0 s PHE 92 CO 0.57 0.52 -0.25 1.03 0.70 0.00 0.00 175.22 177.79 3mr0 s ARG 93 N -0.98 1.44 -0.13 0.44 1.81 0.76 -4.91 118.95 117.37 3mr0 s ARG 93 Ca 0.33 -1.43 -0.20 0.00 -1.72 0.00 0.00 55.73 52.71 3mr0 s ARG 93 Cb -0.21 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 3mr0 s ARG 93 CO 0.22 0.41 0.56 -1.58 -0.68 0.00 0.00 175.30 174.23 3mr0 s TRP 94 N -1.41 3.49 0.04 -0.53 0.52 -1.26 -0.25 118.94 119.53 3mr0 s TRP 94 Ca 0.17 0.96 0.08 0.00 0.02 0.00 0.00 56.10 57.33 3mr0 s TRP 94 Cb -0.09 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.54 3mr0 s TRP 94 CO 0.08 0.06 -0.24 0.96 0.02 0.00 0.00 176.95 177.83 3mr0 s ILE 95 N 1.01 1.92 -0.09 2.03 -4.36 0.38 -0.01 121.20 122.08 3mr0 s ILE 95 Ca 0.29 -1.29 -0.15 0.00 -0.26 0.00 0.00 60.65 59.24 3mr0 s ILE 95 Cb -0.16 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.86 3mr0 s ILE 95 CO 0.12 0.30 0.37 -1.58 0.24 0.00 0.00 174.94 174.39 3mr0 s GLN 96 N -1.18 4.10 -0.07 0.37 0.74 -1.26 -1.11 119.66 121.25 3mr0 s GLN 96 Ca 0.10 0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.80 3mr0 s GLN 96 Cb -0.09 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.69 3mr0 s GLN 96 CO 0.02 0.42 -0.12 0.45 -0.55 0.00 0.00 175.29 175.51 3mr0 s SER 97 N -0.14 1.79 0.02 6.67 0.15 0.11 -4.16 113.70 118.15 3mr0 s SER 97 Ca 0.21 -0.30 0.06 0.00 0.70 0.00 0.00 55.95 56.62 3mr0 s SER 97 Cb -0.15 -0.82 -0.02 0.00 -1.71 0.00 0.00 66.02 63.32 3mr0 s SER 97 CO 0.09 0.02 -0.18 -0.13 1.20 0.00 0.00 173.24 174.24 3mr0 s ARG 98 N 0.74 1.27 0.20 5.44 0.52 -0.83 -1.61 118.95 124.68 3mr0 s ARG 98 Ca -0.13 -0.78 -0.18 0.00 -0.52 0.00 0.00 55.73 54.11 3mr0 s ARG 98 Cb -0.16 -1.31 0.03 0.00 0.52 0.00 0.00 34.95 34.04 3mr0 s ARG 98 CO 0.03 0.34 0.55 0.20 0.02 0.00 0.00 175.30 176.44 3mr0 s GLY 99 N -0.91 -0.14 -0.09 -3.53 0.00 -1.01 -1.31 107.32 100.34 3mr0 s GLY 99 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 3mr0 s GLY 99 CO 0.01 -0.21 0.07 1.62 0.00 0.00 0.00 173.10 174.59 3mr0 s GLN 100 N -3.87 -0.03 0.58 2.90 2.00 0.16 -4.38 119.66 117.03 3mr0 s GLN 100 Ca 0.09 0.22 -0.13 0.00 -2.00 0.00 0.00 55.36 53.54 3mr0 s GLN 100 Cb -0.01 -0.98 -0.05 0.00 0.80 0.00 0.00 33.01 32.77 3mr0 s GLN 100 CO -0.03 -0.45 1.01 0.00 -0.50 0.00 0.00 175.29 175.33 3mr0 s ALA 101 N 2.16 3.09 -0.04 1.58 0.00 -1.26 -2.39 121.76 124.90 3mr0 s ALA 101 Ca 0.04 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.06 3mr0 s ALA 101 Cb -0.13 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3mr0 s ALA 101 CO -0.05 -0.53 -0.24 -0.51 0.00 0.00 0.00 175.76 174.43 3mr0 s LEU 102 N -4.80 2.04 0.18 0.00 1.02 0.11 -4.98 118.68 112.24 3mr0 s LEU 102 Ca 0.56 -0.47 0.09 0.00 0.02 0.00 0.00 54.13 54.34 3mr0 s LEU 102 Cb -0.11 -1.28 -0.04 0.00 0.02 0.00 0.00 46.19 44.78 3mr0 s LEU 102 CO 0.46 0.25 -0.12 0.26 0.02 0.00 0.00 176.35 177.22 3mr0 s TRP 103 N -0.28 2.58 0.82 0.29 0.51 -1.26 -1.15 118.94 120.45 3mr0 s TRP 103 Ca 0.01 -0.24 -0.08 0.00 -2.12 0.00 0.00 56.10 53.66 3mr0 s TRP 103 Cb -0.12 -1.26 0.14 0.00 -0.81 0.00 0.00 33.47 31.42 3mr0 s TRP 103 CO 0.02 0.51 1.13 0.54 -0.51 0.00 0.00 176.95 178.64 3mr0 s ASN 104 N -2.80 3.95 0.00 2.95 2.20 -0.33 -4.88 114.94 116.03 3mr0 s ASN 104 Ca 0.24 0.07 0.12 0.00 -0.94 0.00 0.00 52.86 52.35 3mr0 s ASN 104 Cb -0.09 -0.37 0.53 0.00 -2.00 0.00 0.00 41.25 39.32 3mr0 s ASN 104 CO 0.14 -2.16 1.38 -1.54 -2.94 0.00 0.00 177.10 171.98 3mr0 n SER 105 N -3.23 0.00 -0.74 3.54 3.41 -1.26 0.50 113.62 115.84 3mr0 n SER 105 Ca 0.14 0.45 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3mr0 n SER 105 Cb 0.60 -0.47 0.32 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.47 2.51 -1.07 7.33 0.00 -1.26 -4.96 120.51 121.58 3mr0 n ALA 106 Ca 0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.83 3mr0 n ALA 106 Cb 0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 1.27 0.58 3.67 0.00 0.00 0.18 -5.02 105.19 105.87 3mr0 n GLY 107 Ca 0.17 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.63 4.28 0.31 1.61 2.02 -1.26 -4.77 118.70 119.26 3mr0 s GLU 108 Ca 0.00 0.83 -0.28 0.00 0.02 0.00 0.00 54.97 55.54 3mr0 s GLU 108 Cb 0.00 -3.56 -0.09 0.00 0.10 0.00 0.00 34.13 30.58 3mr0 s GLU 108 CO 0.00 -0.24 1.09 -1.25 0.02 0.00 0.00 175.26 174.88 3mr0 s PRO 109 N 1.86 4.53 0.00 0.39 0.04 -1.26 -1.19 135.00 139.37 3mr0 s PRO 109 Ca 0.34 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3mr0 s PRO 109 Cb -0.16 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.33 3mr0 s PRO 109 CO 0.12 0.13 0.17 2.48 0.04 0.00 0.00 177.00 179.94 3mr0 n TYR 110 N 0.91 0.00 -3.30 0.56 0.18 -0.30 -4.53 117.16 110.69 3mr0 n TYR 110 Ca 0.00 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.77 3mr0 n TYR 110 Cb 0.46 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 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 -0.23 0.17 -3.60 -3.48 0.63 -1.22 -4.31 116.66 104.61 3mr0 n ARG 111 Ca 0.00 -0.35 -0.09 0.00 -0.92 0.00 0.00 57.85 56.49 3mr0 n ARG 111 Cb 0.06 0.45 -0.05 0.00 0.45 0.00 0.00 32.46 33.37 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 -2.69 0.00 0.00 5.15 1.01 -1.01 0.06 120.40 122.93 3mr0 s VAL 113 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3mr0 s VAL 113 Cb -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3mr0 s VAL 113 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3mr0 n GLY 114 N 0.95 1.33 3.13 4.51 0.00 -0.79 -0.66 105.19 113.66 3mr0 n GLY 114 Ca -0.09 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.69 0.21 0.00 1.61 1.48 -0.43 -1.83 118.94 116.29 3mr0 s TRP 115 Ca 0.00 -0.55 0.00 0.00 -1.06 0.00 0.00 56.10 54.49 3mr0 s TRP 115 Cb 0.00 -0.14 0.00 0.00 -1.16 0.00 0.00 33.47 32.17 3mr0 s TRP 115 CO 0.00 -0.40 0.00 0.44 -4.06 0.00 0.00 176.95 172.93 3mr0 n ILE 116 N 0.58 0.00 -4.26 0.66 -5.35 0.49 -1.96 119.36 109.52 3mr0 n ILE 116 Ca -0.18 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 61.96 3mr0 n ILE 116 Cb 0.59 0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.35 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 -0.20 3.93 -0.14 7.28 -1.08 -1.26 -0.53 116.67 124.67 3mr0 s ASP 118 Ca 0.00 -0.43 0.18 0.00 -0.52 0.00 0.00 52.55 51.77 3mr0 s ASP 118 Cb 0.00 -1.64 0.30 0.00 -1.46 0.00 0.00 42.92 40.12 3mr0 s ASP 118 CO 0.00 0.05 1.16 1.33 0.52 0.00 0.00 175.17 178.22 3mr0 n VAL 119 N 4.33 1.88 -0.18 1.11 0.24 0.99 -4.89 118.33 121.81 3mr0 n VAL 119 Ca -0.19 -2.34 -0.07 0.00 -2.04 0.00 0.00 64.34 59.70 3mr0 n VAL 119 Cb 0.51 -0.22 0.02 0.00 -1.47 0.00 0.00 33.84 32.69 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 0.32 1.15 -0.42 3.34 2.02 -1.95 -1.58 112.91 115.78 3mr0 h THR 120 Ca -0.00 -0.31 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 3mr0 h THR 120 Cb 1.01 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3mr0 h THR 120 CO 0.00 0.15 -0.32 0.44 0.37 0.00 0.00 175.52 176.16 3mr0 h ASP 121 N 0.70 1.01 -0.44 4.18 3.32 -1.93 0.60 116.42 123.87 3mr0 h ASP 121 Ca 0.19 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3mr0 h ASP 121 Cb -0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3mr0 h ASP 121 CO -0.04 1.24 0.26 -0.09 -1.72 0.00 0.00 179.24 178.89 3mr0 h ARG 122 N 0.80 0.61 -0.99 3.56 2.43 -1.89 -2.43 114.38 116.47 3mr0 h ARG 122 Ca 0.08 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3mr0 h ARG 122 Cb 0.91 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 3mr0 h ARG 122 CO 0.08 0.45 0.64 0.87 -1.51 0.00 0.00 179.97 180.51 3mr0 h LYS 123 N 0.59 1.15 -0.02 0.20 1.79 -0.92 -1.35 116.57 118.00 3mr0 h LYS 123 Ca 0.16 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 3mr0 h LYS 123 Cb 0.01 -0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 30.36 3mr0 h LYS 123 CO -0.03 0.76 -0.18 0.00 -1.08 0.00 0.00 179.45 178.92 3mr0 h ARG 124 N 1.18 -0.28 -0.58 3.15 3.08 -0.60 -0.92 114.38 119.42 3mr0 h ARG 124 Ca 0.42 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.41 3mr0 h ARG 124 Cb 0.12 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3mr0 h ARG 124 CO -0.15 -0.19 0.07 -0.44 -1.07 0.00 0.00 179.97 178.19 3mr0 h ASP 125 N -0.29 0.94 -0.99 7.04 3.32 -1.09 0.59 116.42 125.95 3mr0 h ASP 125 Ca 0.06 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.87 3mr0 h ASP 125 Cb 0.37 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 3mr0 h ASP 125 CO -0.19 0.98 0.65 -0.33 -1.72 0.00 0.00 179.24 178.63 3mr0 h GLU 126 N 0.87 1.24 -0.18 3.56 5.08 -1.15 -1.14 114.58 122.86 3mr0 h GLU 126 Ca 0.17 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 3mr0 h GLU 126 Cb 0.46 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3mr0 h GLU 126 CO 0.02 0.82 -0.51 0.22 -1.00 0.00 0.00 179.01 178.55 3mr0 h ASP 127 N 1.27 0.55 -0.66 1.42 3.58 -0.54 -1.89 116.42 120.14 3mr0 h ASP 127 Ca 0.38 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 3mr0 h ASP 127 Cb -0.04 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 3mr0 h ASP 127 CO -0.11 0.96 0.32 0.00 -2.88 0.00 0.00 179.24 177.53 3mr0 h ALA 128 N 1.05 1.27 -0.04 -0.78 0.00 -0.24 -1.24 119.26 119.28 3mr0 h ALA 128 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3mr0 h ALA 128 Cb 1.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3mr0 h ALA 128 CO 0.09 0.56 -0.02 1.25 0.00 0.00 0.00 179.25 181.13 3mr0 h LEU 129 N 0.97 0.09 -0.52 0.00 5.85 -0.98 -1.93 115.31 118.80 3mr0 h LEU 129 Ca 0.24 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3mr0 h LEU 129 Cb 0.11 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3mr0 h LEU 129 CO -0.03 0.48 0.10 -0.09 -0.34 0.00 0.00 178.44 178.56 3mr0 h ARG 130 N -0.30 0.23 -0.63 1.25 2.43 -1.24 -1.06 114.38 115.06 3mr0 h ARG 130 Ca 0.01 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3mr0 h ARG 130 Cb 0.44 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 3mr0 h ARG 130 CO 0.01 0.15 0.05 0.28 -1.51 0.00 0.00 179.97 178.95 3mr0 h VAL 131 N 0.23 1.26 -0.45 0.20 2.07 -1.17 -0.94 116.25 117.46 3mr0 h VAL 131 Ca 0.26 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3mr0 h VAL 131 Cb 0.36 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3mr0 h VAL 131 CO -0.34 0.40 0.17 0.28 0.02 0.00 0.00 177.57 178.10 3mr0 h SER 132 N 0.98 0.62 -0.60 0.57 0.02 -0.97 0.56 113.55 114.73 3mr0 h SER 132 Ca 0.18 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3mr0 h SER 132 Cb 0.50 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3mr0 h SER 132 CO 0.02 0.62 0.30 0.03 -1.14 0.00 0.00 176.83 176.66 3mr0 h ARG 133 N 0.58 0.85 -0.36 3.45 3.08 -1.09 0.17 114.38 121.06 3mr0 h ARG 133 Ca 0.15 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3mr0 h ARG 133 Cb 0.20 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3mr0 h ARG 133 CO -0.01 0.68 0.23 1.49 -1.07 0.00 0.00 179.97 181.29 3mr0 h GLU 134 N 0.81 0.48 0.12 0.04 4.81 -1.02 -2.14 114.58 117.68 3mr0 h GLU 134 Ca 0.21 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3mr0 h GLU 134 Cb 0.10 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3mr0 h GLU 134 CO -0.03 0.33 -0.16 0.93 -0.73 0.00 0.00 179.01 179.35 3mr0 h GLU 135 N 0.48 -0.32 -0.49 1.92 5.08 -0.55 -2.52 114.58 118.19 3mr0 h GLU 135 Ca 0.13 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 3mr0 h GLU 135 Cb -0.04 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 3mr0 h GLU 135 CO -0.03 -0.21 0.12 1.25 -1.00 0.00 0.00 179.01 179.14 3mr0 h LEU 136 N -0.33 0.05 -2.76 1.33 5.85 -0.94 -1.15 115.31 117.36 3mr0 h LEU 136 Ca 0.02 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3mr0 h LEU 136 Cb 0.34 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3mr0 h LEU 136 CO -0.07 0.06 0.05 0.03 -0.34 0.00 0.00 178.44 178.16 3mr0 h ARG 137 N 0.27 0.00 -0.01 1.25 3.08 -1.16 -2.55 114.38 115.25 3mr0 h ARG 137 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3mr0 h ARG 137 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3mr0 h ARG 137 CO -0.29 0.00 -0.46 2.89 -1.07 0.00 0.00 179.97 181.04 3mr0 n ARG 138 N -3.24 1.06 0.00 0.04 1.85 -0.46 -5.10 116.66 110.81 3mr0 n ARG 138 Ca -0.03 -0.83 0.03 0.00 -1.00 0.00 0.00 57.85 56.02 3mr0 n ARG 138 Cb 0.12 -1.48 0.19 0.00 -1.05 0.00 0.00 32.46 30.24 3mr0 n ARG 138 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90