#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1omd n THR 3 N 0.00 0.90 0.30 1.39 -1.04 -1.26 -0.87 114.28 113.69 1omd n THR 3 Ca 0.00 0.23 0.13 0.00 -2.04 0.00 0.00 64.05 62.36 1omd n THR 3 Cb 0.00 -1.05 0.26 0.00 -1.82 0.00 0.00 70.33 67.73 1omd n THR 3 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1omd h ASP 4 N 0.00 0.00 0.00 8.00 3.32 -2.04 -3.37 116.42 122.33 1omd h ASP 4 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1omd h ASP 4 Cb 0.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1omd h ASP 4 CO 0.00 0.00 -1.67 0.00 -1.72 0.00 0.00 179.24 175.85 1omd n ILE 5 N -2.94 0.67 -3.95 0.35 3.06 -0.38 -5.02 119.36 111.16 1omd n ILE 5 Ca 0.04 -0.34 -0.30 0.00 -2.50 0.00 0.00 62.75 59.64 1omd n ILE 5 Cb 0.49 -0.83 -0.04 0.00 0.54 0.00 0.00 39.64 39.80 1omd n ILE 5 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1omd s LEU 6 N -5.14 4.22 0.25 9.51 1.02 -0.05 -5.08 118.68 123.41 1omd s LEU 6 Ca -0.10 0.19 -0.30 0.00 0.02 0.00 0.00 54.13 53.94 1omd s LEU 6 Cb 0.03 -2.84 -0.09 0.00 0.02 0.00 0.00 46.19 43.32 1omd s LEU 6 CO 0.34 0.16 1.25 -0.44 0.02 0.00 0.00 176.35 177.68 1omd s SER 7 N -2.57 6.96 0.29 2.29 0.01 -1.26 -4.41 113.70 115.00 1omd s SER 7 Ca 0.34 2.43 0.03 0.00 1.31 0.00 0.00 55.95 60.06 1omd s SER 7 Cb -0.13 -2.62 0.65 0.00 0.21 0.00 0.00 66.02 64.13 1omd s SER 7 CO 0.27 -0.43 1.78 0.00 0.41 0.00 0.00 173.24 175.27 1omd h ALA 8 N 4.53 1.53 -0.08 1.44 0.00 -1.95 -2.22 119.26 122.50 1omd h ALA 8 Ca -0.46 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1omd h ALA 8 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1omd h ALA 8 CO 0.72 -0.01 -0.49 0.93 0.00 0.00 0.00 179.25 180.40 1omd h GLU 9 N 0.77 0.21 -0.22 0.00 3.07 -1.99 -0.24 114.58 116.18 1omd h GLU 9 Ca 0.53 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.36 59.15 1omd h GLU 9 Cb 0.75 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1omd h GLU 9 CO -0.36 0.66 -0.38 -0.44 -1.40 0.00 0.00 179.01 177.10 1omd h ASP 10 N 0.17 0.52 -0.09 1.42 3.32 -1.74 -1.28 116.42 118.75 1omd h ASP 10 Ca 0.01 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1omd h ASP 10 Cb 0.93 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 1omd h ASP 10 CO 0.07 0.85 -0.05 0.40 -1.72 0.00 0.00 179.24 178.80 1omd h ILE 11 N 0.41 1.33 -0.72 0.35 2.04 -0.82 -1.45 117.51 118.66 1omd h ILE 11 Ca 0.04 -1.08 0.09 0.00 1.00 0.00 0.00 64.86 64.91 1omd h ILE 11 Cb 0.85 1.87 -0.07 0.00 -0.74 0.00 0.00 36.82 38.73 1omd h ILE 11 CO 0.07 0.30 0.37 0.00 0.00 0.00 0.00 178.15 178.89 1omd h ALA 12 N 0.62 1.00 -0.46 1.87 0.00 -0.93 -1.63 119.26 119.74 1omd h ALA 12 Ca 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1omd h ALA 12 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1omd h ALA 12 CO 0.01 -0.03 0.14 0.00 0.00 0.00 0.00 179.25 179.37 1omd h ALA 13 N 1.43 0.60 -0.68 0.00 0.00 -1.09 -0.10 119.26 119.41 1omd h ALA 13 Ca 0.35 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1omd h ALA 13 Cb 0.36 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1omd h ALA 13 CO -0.26 0.26 0.38 0.00 0.00 0.00 0.00 179.25 179.62 1omd h ALA 14 N 0.99 0.92 -0.35 0.00 0.00 -0.56 -1.48 119.26 118.78 1omd h ALA 14 Ca 0.15 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1omd h ALA 14 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1omd h ALA 14 CO -0.00 0.04 -0.35 -0.07 0.00 0.00 0.00 179.25 178.87 1omd h LEU 15 N 0.68 0.91 -1.31 0.00 3.38 -1.13 -3.02 115.31 114.83 1omd h LEU 15 Ca 0.31 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1omd h LEU 15 Cb 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1omd h LEU 15 CO -0.20 1.19 0.49 -0.61 0.09 0.00 0.00 178.44 179.41 1omd h GLN 16 N 0.65 0.85 0.00 1.13 4.15 -0.70 -1.96 115.11 119.23 1omd h GLN 16 Ca 0.06 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 1omd h GLN 16 Cb 0.94 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1omd h GLN 16 CO 0.09 0.56 -0.32 1.49 -1.93 0.00 0.00 178.83 178.72 1omd h GLU 17 N 0.88 0.00 -0.17 1.69 4.81 -1.15 -3.07 114.58 117.57 1omd h GLU 17 Ca 0.31 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.42 1omd h GLU 17 Cb 0.11 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 1omd h GLU 17 CO -0.09 0.32 -0.48 0.00 -0.73 0.00 0.00 179.01 178.02 1omd h GLN 19 N 1.19 0.83 -7.00 0.00 4.15 -1.27 -3.42 115.11 109.60 1omd h GLN 19 Ca 0.09 -0.05 -0.45 0.00 0.77 0.00 0.00 58.65 59.01 1omd h GLN 19 Cb 1.17 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 1omd h GLN 19 CO 0.19 0.55 0.35 -0.51 -1.93 0.00 0.00 178.83 177.47 1omd s ASP 20 N -5.73 7.03 0.26 -0.69 -0.00 -1.26 -5.00 116.67 111.28 1omd s ASP 20 Ca -0.13 1.77 -0.30 0.00 -0.00 0.00 0.00 52.55 53.89 1omd s ASP 20 Cb 0.16 -2.56 -0.14 0.00 -0.00 0.00 0.00 42.92 40.39 1omd s ASP 20 CO 0.77 -0.29 1.23 -0.81 -0.00 0.00 0.00 175.17 176.07 1omd n PRO 21 N -0.23 1.70 -1.81 8.23 -0.04 -1.26 -1.94 135.00 139.65 1omd n PRO 21 Ca 0.05 0.60 -0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1omd n PRO 21 Cb 0.52 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 1omd n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1omd n ASP 22 N 1.61 -4.34 -0.29 3.54 8.00 -1.26 -4.83 116.55 118.99 1omd n ASP 22 Ca 0.10 0.16 0.07 0.00 0.71 0.00 0.00 54.79 55.83 1omd n ASP 22 Cb 0.31 -3.26 -0.01 0.00 -0.02 0.00 0.00 41.12 38.14 1omd n ASP 22 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1omd n THR 23 N -3.31 0.00 -1.85 -3.53 -2.24 -0.82 -4.96 114.28 97.58 1omd n THR 23 Ca -0.14 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 1omd n THR 23 Cb 0.52 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1omd n THR 23 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1omd s PHE 24 N -1.78 2.60 -0.16 4.78 2.19 -1.26 -4.75 117.98 119.60 1omd s PHE 24 Ca 0.11 0.32 -0.02 0.00 0.33 0.00 0.00 56.93 57.68 1omd s PHE 24 Cb 0.11 -4.03 0.05 0.00 -1.31 0.00 0.00 43.02 37.84 1omd s PHE 24 CO 0.38 -4.06 0.00 -2.00 1.83 0.00 0.00 175.22 171.37 1omd s GLU 25 N 2.03 0.86 0.18 10.12 2.12 -1.26 -4.97 118.70 127.77 1omd s GLU 25 Ca 0.75 -0.35 -0.26 0.00 0.36 0.00 0.00 54.97 55.47 1omd s GLU 25 Cb -0.44 -1.85 0.04 0.00 0.26 0.00 0.00 34.13 32.14 1omd s GLU 25 CO 0.33 -0.52 1.56 -1.35 -0.54 0.00 0.00 175.26 174.74 1omd h PRO 26 N 8.22 -0.14 -1.00 4.30 0.11 -1.94 -0.85 132.00 140.70 1omd h PRO 26 Ca -0.19 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.94 1omd h PRO 26 Cb 1.12 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1omd h PRO 26 CO 0.34 -0.09 0.66 0.37 -0.21 0.00 0.00 178.00 179.07 1omd h GLN 27 N -0.14 1.31 -0.05 1.05 4.15 -1.96 -1.29 115.11 118.17 1omd h GLN 27 Ca 0.20 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1omd h GLN 27 Cb 0.54 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 1omd h GLN 27 CO -0.80 0.86 0.02 0.87 -1.93 0.00 0.00 178.83 177.86 1omd h LYS 28 N 1.35 0.08 -0.41 1.69 1.57 -1.70 -0.49 116.57 118.66 1omd h LYS 28 Ca 0.37 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.21 1omd h LYS 28 Cb -0.14 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 1omd h LYS 28 CO -0.08 0.21 0.01 0.35 -0.57 0.00 0.00 179.45 179.37 1omd h PHE 29 N -0.07 -0.00 0.00 -1.35 3.04 -0.95 0.22 116.94 117.83 1omd h PHE 29 Ca 0.02 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 1omd h PHE 29 Cb 0.16 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1omd h PHE 29 CO -0.02 -0.07 -0.27 0.74 -2.02 0.00 0.00 178.31 176.67 1omd h PHE 30 N 0.12 0.00 0.00 0.41 0.05 -1.03 -0.90 116.94 115.59 1omd h PHE 30 Ca 0.20 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.99 1omd h PHE 30 Cb 0.28 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.23 1omd h PHE 30 CO -0.26 0.27 -0.00 0.37 -0.18 0.00 0.00 178.31 178.50 1omd h GLN 31 N 0.00 0.00 -0.72 1.51 4.15 0.26 -0.76 115.11 119.55 1omd h GLN 31 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1omd h GLN 31 Cb 0.54 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.15 1omd h GLN 31 CO 0.03 0.63 0.31 1.15 -1.93 0.00 0.00 178.83 179.03 1omd h THR 32 N -1.00 0.73 0.00 2.39 2.02 -0.58 -2.15 112.91 114.32 1omd h THR 32 Ca -0.00 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1omd h THR 32 Cb 0.64 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1omd h THR 32 CO -0.00 0.09 -0.01 0.77 0.37 0.00 0.00 175.52 176.74 1omd h SER 33 N 0.49 0.00 0.00 4.18 4.64 -1.31 -3.43 113.55 118.12 1omd h SER 33 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1omd h SER 33 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1omd h SER 33 CO -0.35 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.24 1omd n GLY 34 N 0.07 0.62 0.23 -0.77 0.00 -0.81 -4.50 105.19 100.03 1omd n GLY 34 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1omd n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1omd h LEU 35 N 0.00 0.41 -0.75 0.99 5.85 -1.64 -2.59 115.31 117.59 1omd h LEU 35 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1omd h LEU 35 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1omd h LEU 35 CO 0.00 0.27 0.00 -1.54 -0.34 0.00 0.00 178.44 176.83 1omd n SER 36 N -4.87 0.39 -0.39 1.25 3.41 -0.35 -0.91 113.62 112.15 1omd n SER 36 Ca 0.07 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 1omd n SER 36 Cb 0.17 -0.71 0.26 0.00 -0.26 0.00 0.00 64.21 63.67 1omd n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1omd n LYS 37 N -1.99 1.14 -3.14 4.33 5.02 -0.98 -4.80 118.16 117.76 1omd n LYS 37 Ca 0.00 -0.79 -0.22 0.00 -2.02 0.00 0.00 58.31 55.28 1omd n LYS 37 Cb 0.09 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1omd n LYS 37 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1omd s MET 38 N -2.40 3.12 0.80 1.97 -1.94 -0.09 -5.10 119.30 115.67 1omd s MET 38 Ca 0.24 -0.58 -0.11 0.00 -1.71 0.00 0.00 55.69 53.54 1omd s MET 38 Cb 0.19 -2.63 0.07 0.00 2.01 0.00 0.00 34.83 34.48 1omd s MET 38 CO 0.50 -0.15 1.09 -1.54 -0.01 0.00 0.00 175.02 174.91 1omd s SER 39 N -4.19 4.26 0.13 3.03 1.04 -1.26 -4.78 113.70 111.93 1omd s SER 39 Ca 0.47 1.72 -0.23 0.00 0.48 0.00 0.00 55.95 58.39 1omd s SER 39 Cb -0.10 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 1omd s SER 39 CO 0.36 -2.18 1.66 0.00 0.98 0.00 0.00 173.24 174.06 1omd h ALA 40 N -1.23 -0.11 -0.98 5.32 0.00 -1.98 0.03 119.26 120.31 1omd h ALA 40 Ca -0.45 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.57 1omd h ALA 40 Cb 1.24 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 1omd h ALA 40 CO 0.52 -0.63 0.63 0.66 0.00 0.00 0.00 179.25 180.44 1omd h SER 41 N -0.22 1.00 -0.40 0.00 4.64 -1.99 0.13 113.55 116.70 1omd h SER 41 Ca 0.09 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 1omd h SER 41 Cb 0.36 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1omd h SER 41 CO -0.25 0.63 -0.19 1.56 -0.87 0.00 0.00 176.83 177.72 1omd h GLN 42 N 1.13 0.83 -0.40 4.77 1.08 -1.75 -2.41 115.11 118.36 1omd h GLN 42 Ca 0.43 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1omd h GLN 42 Cb 0.20 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1omd h GLN 42 CO -0.17 1.00 0.13 0.28 -0.95 0.00 0.00 178.83 179.11 1omd h VAL 43 N 0.64 1.17 -0.41 -0.54 2.07 -0.23 -2.46 116.25 116.49 1omd h VAL 43 Ca 0.09 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1omd h VAL 43 Cb 0.75 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1omd h VAL 43 CO 0.06 0.21 0.01 0.50 0.02 0.00 0.00 177.57 178.37 1omd h LYS 44 N 0.57 0.72 -0.57 1.57 1.63 -0.62 0.11 116.57 119.98 1omd h LYS 44 Ca 0.14 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1omd h LYS 44 Cb 0.17 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1omd h LYS 44 CO -0.01 0.79 0.36 -0.44 -3.45 0.00 0.00 179.45 176.70 1omd h ASP 45 N 0.55 0.68 -0.35 4.20 3.45 -0.99 0.04 116.42 124.00 1omd h ASP 45 Ca 0.12 -0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 1omd h ASP 45 Cb 0.46 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1omd h ASP 45 CO 0.02 0.52 0.12 0.40 -1.57 0.00 0.00 179.24 178.73 1omd h ILE 46 N 0.78 1.20 -0.33 0.35 2.04 -1.16 -2.28 117.51 118.11 1omd h ILE 46 Ca 0.21 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.49 1omd h ILE 46 Cb -0.04 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1omd h ILE 46 CO -0.04 0.22 -0.12 0.15 0.00 0.00 0.00 178.15 178.36 1omd h PHE 47 N 0.41 -0.28 -0.64 1.37 3.57 -0.02 -1.65 116.94 119.69 1omd h PHE 47 Ca 0.11 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.78 1omd h PHE 47 Cb 0.23 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1omd h PHE 47 CO 0.00 -0.19 0.44 0.00 -2.23 0.00 0.00 178.31 176.33 1omd h ARG 48 N -0.06 0.30 -0.12 1.11 3.08 -0.58 -0.83 114.38 117.29 1omd h ARG 48 Ca 0.16 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 60.00 1omd h ARG 48 Cb 0.31 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1omd h ARG 48 CO -0.37 0.20 -0.71 0.35 -1.07 0.00 0.00 179.97 178.37 1omd h PHE 49 N 0.31 0.73 -0.03 3.04 3.04 -0.77 -3.26 116.94 119.99 1omd h PHE 49 Ca 0.31 -0.31 -0.21 0.00 3.98 0.00 0.00 57.97 61.74 1omd h PHE 49 Cb 0.78 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.17 1omd h PHE 49 CO -0.00 1.08 -0.86 0.82 -2.02 0.00 0.00 178.31 177.34 1omd h ILE 50 N 0.38 1.39 -0.27 1.41 2.04 -0.52 -3.38 117.51 118.56 1omd h ILE 50 Ca -0.03 -2.32 -0.56 0.00 1.00 0.00 0.00 64.86 62.95 1omd h ILE 50 Cb 1.30 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 1omd h ILE 50 CO 0.13 0.70 1.98 -0.67 0.00 0.00 0.00 178.15 180.29 1omd n ASP 51 N -3.78 3.20 -0.20 1.72 2.03 -0.49 -4.77 116.55 114.26 1omd n ASP 51 Ca -0.06 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1omd n ASP 51 Cb 0.78 -1.48 0.10 0.00 -0.72 0.00 0.00 41.12 39.81 1omd n ASP 51 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1omd h ASN 52 N 8.21 -0.17 -0.02 1.67 -1.24 -1.82 -2.15 115.58 120.06 1omd h ASN 52 Ca 0.38 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.52 1omd h ASN 52 Cb 0.78 0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.05 1omd h ASN 52 CO 1.64 -0.07 0.00 -0.90 -1.29 0.00 0.00 177.43 176.81 1omd n ASP 53 N -5.22 0.85 -1.94 1.15 3.85 -1.26 -4.91 116.55 109.06 1omd n ASP 53 Ca 0.09 -1.33 -0.17 0.00 -0.71 0.00 0.00 54.79 52.67 1omd n ASP 53 Cb 0.33 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 40.09 1omd n ASP 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1omd n GLN 54 N -0.31 -1.36 0.20 0.11 6.02 -0.81 -4.92 117.38 116.30 1omd n GLN 54 Ca 0.20 0.83 0.14 0.00 -0.01 0.00 0.00 57.00 58.16 1omd n GLN 54 Cb 0.24 -5.28 0.39 0.00 1.02 0.00 0.00 30.24 26.62 1omd n GLN 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1omd h SER 55 N 0.00 0.00 0.00 1.08 4.64 -1.91 -3.46 113.55 113.90 1omd h SER 55 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1omd h SER 55 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1omd h SER 55 CO 0.48 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 1omd n GLY 56 N 0.74 0.37 3.08 -0.77 0.00 -1.26 -5.05 105.19 102.30 1omd n GLY 56 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1omd n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1omd s TYR 57 N -2.06 0.68 -0.23 1.61 2.02 -1.26 -4.01 117.35 114.10 1omd s TYR 57 Ca 0.00 -0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 55.97 1omd s TYR 57 Cb 0.00 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 41.10 1omd s TYR 57 CO 0.00 -0.11 0.25 -0.51 -1.57 0.00 0.00 175.55 173.61 1omd s LEU 58 N -1.91 4.12 -0.24 -1.29 1.43 0.10 -4.88 118.68 116.02 1omd s LEU 58 Ca -0.05 0.24 -0.28 0.00 -1.03 0.00 0.00 54.13 53.00 1omd s LEU 58 Cb -0.06 -2.26 0.16 0.00 0.03 0.00 0.00 46.19 44.06 1omd s LEU 58 CO -0.01 -0.00 1.19 1.51 0.23 0.00 0.00 176.35 179.26 1omd s ASP 59 N 1.12 -0.22 0.55 2.29 1.47 -1.26 -0.21 116.67 120.41 1omd s ASP 59 Ca 0.12 0.29 0.00 0.00 1.18 0.00 0.00 52.55 54.14 1omd s ASP 59 Cb -0.14 0.25 0.00 0.00 -0.34 0.00 0.00 42.92 42.69 1omd s ASP 59 CO 0.06 -0.17 0.00 0.61 0.68 0.00 0.00 175.17 176.35 1omd n GLY 60 N 0.95 0.60 0.28 2.12 0.00 -1.26 -3.85 105.19 104.02 1omd n GLY 60 Ca -0.07 -1.01 0.17 0.00 0.00 0.00 0.00 46.02 45.12 1omd n GLY 60 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1omd h ASP 61 N 0.09 0.00 0.19 1.61 3.45 -1.99 -2.75 116.42 117.02 1omd h ASP 61 Ca 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 1omd h ASP 61 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1omd h ASP 61 CO 0.00 0.01 -0.12 -0.33 -1.57 0.00 0.00 179.24 177.23 1omd h GLU 62 N 0.00 0.00 0.20 3.56 5.08 -1.92 -1.83 114.58 119.66 1omd h GLU 62 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1omd h GLU 62 Cb 0.50 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.78 1omd h GLU 62 CO 0.00 0.12 -1.22 -0.07 -1.00 0.00 0.00 179.01 176.84 1omd h LEU 63 N 0.00 0.65 -1.78 1.33 3.38 -1.77 -2.75 115.31 114.37 1omd h LEU 63 Ca -0.00 -0.93 0.04 0.00 0.09 0.00 0.00 57.88 57.08 1omd h LEU 63 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1omd h LEU 63 CO 0.02 1.58 0.23 0.50 0.09 0.00 0.00 178.44 180.86 1omd h LYS 64 N -0.10 0.28 -0.61 1.13 3.64 -1.51 -2.50 116.57 116.91 1omd h LYS 64 Ca -0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1omd h LYS 64 Cb 1.92 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1omd h LYS 64 CO 0.21 0.19 0.00 0.66 -2.27 0.00 0.00 179.45 178.23 1omd n TYR 65 N -4.48 1.50 -0.18 1.91 4.01 -0.73 -1.58 117.16 117.61 1omd n TYR 65 Ca 0.03 -0.64 -0.07 0.00 -0.16 0.00 0.00 57.90 57.07 1omd n TYR 65 Cb 0.20 -0.27 -0.01 0.00 -0.31 0.00 0.00 39.34 38.94 1omd n TYR 65 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1omd h PHE 66 N 3.89 -1.02 -0.19 -0.72 3.04 -1.13 -0.41 116.94 120.40 1omd h PHE 66 Ca 0.00 0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.96 1omd h PHE 66 Cb 1.50 0.53 -0.01 0.00 2.56 0.00 0.00 35.95 40.52 1omd h PHE 66 CO 0.78 -0.40 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.46 1omd h LEU 67 N -0.21 0.30 -1.28 0.59 3.38 -1.84 -2.48 115.31 113.77 1omd h LEU 67 Ca 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1omd h LEU 67 Cb 0.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1omd h LEU 67 CO -0.65 0.47 0.00 1.56 0.09 0.00 0.00 178.44 179.91 1omd h GLN 68 N 0.29 0.00 0.00 1.13 4.20 -1.20 -0.08 115.11 119.46 1omd h GLN 68 Ca 0.06 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 1omd h GLN 68 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1omd h GLN 68 CO 0.03 0.00 -0.62 0.87 -0.67 0.00 0.00 178.83 178.43 1omd h LYS 69 N 0.00 0.00 0.05 1.46 1.79 -1.30 -2.97 116.57 115.60 1omd h LYS 69 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1omd h LYS 69 Cb 0.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1omd h LYS 69 CO 0.00 0.62 -0.60 0.74 -1.08 0.00 0.00 179.45 179.13 1omd h PHE 70 N 0.00 0.19 -3.29 -1.35 0.04 -1.14 -3.46 116.94 107.93 1omd h PHE 70 Ca -0.01 -0.14 -0.33 0.00 2.80 0.00 0.00 57.97 60.30 1omd h PHE 70 Cb 1.35 -0.01 -0.37 0.00 2.20 0.00 0.00 35.95 39.12 1omd h PHE 70 CO 0.00 1.23 -0.70 -0.65 -0.60 0.00 0.00 178.31 177.59 1omd s GLN 71 N -2.33 -0.03 0.65 1.51 -0.21 -0.74 -4.94 119.66 113.57 1omd s GLN 71 Ca -0.20 0.39 0.41 0.00 0.02 0.00 0.00 55.36 55.98 1omd s GLN 71 Cb 0.00 -0.38 2.30 0.00 1.00 0.00 0.00 33.01 35.94 1omd s GLN 71 CO 0.72 -0.28 2.35 0.66 -2.12 0.00 0.00 175.29 176.61 1omd h SER 72 N 8.10 0.00 -0.72 5.90 4.64 -1.79 -1.63 113.55 128.04 1omd h SER 72 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1omd h SER 72 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1omd h SER 72 CO 0.23 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.29 1omd n ASP 73 N -3.25 3.98 -4.64 4.97 5.68 -1.26 -4.88 116.55 117.15 1omd n ASP 73 Ca -0.03 -2.02 -0.29 0.00 -0.50 0.00 0.00 54.79 51.94 1omd n ASP 73 Cb 0.08 -0.49 0.18 0.00 -1.14 0.00 0.00 41.12 39.75 1omd n ASP 73 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1omd s ALA 74 N -1.05 0.84 0.84 2.12 0.00 -0.61 -5.02 121.76 118.89 1omd s ALA 74 Ca 0.49 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 1omd s ALA 74 Cb 0.26 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 20.23 1omd s ALA 74 CO 0.33 -2.93 1.16 -0.98 0.00 0.00 0.00 175.76 173.33 1omd s ARG 75 N -4.75 1.69 0.18 0.00 1.70 -1.26 -4.69 118.95 111.82 1omd s ARG 75 Ca 0.66 0.19 -0.24 0.00 -0.47 0.00 0.00 55.73 55.87 1omd s ARG 75 Cb -0.21 -1.91 -0.08 0.00 -0.57 0.00 0.00 34.95 32.18 1omd s ARG 75 CO 0.59 -1.80 0.76 -1.21 -1.08 0.00 0.00 175.30 172.56 1omd s GLU 76 N -5.46 4.49 0.62 3.89 2.02 -1.26 -4.46 118.70 118.54 1omd s GLU 76 Ca 0.63 1.09 -0.17 0.00 0.02 0.00 0.00 54.97 56.53 1omd s GLU 76 Cb -0.12 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 1omd s GLU 76 CO 0.51 0.54 1.14 -0.51 0.02 0.00 0.00 175.26 176.96 1omd s LEU 77 N -1.32 3.54 0.70 1.80 1.43 -0.61 -5.02 118.68 119.19 1omd s LEU 77 Ca 0.37 2.16 -0.09 0.00 -1.03 0.00 0.00 54.13 55.54 1omd s LEU 77 Cb -0.22 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.47 1omd s LEU 77 CO 0.25 -1.57 1.04 0.42 0.23 0.00 0.00 176.35 176.73 1omd s THR 78 N -2.00 2.94 0.21 5.49 -4.23 -1.26 -4.84 115.64 111.95 1omd s THR 78 Ca 0.71 0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 61.21 1omd s THR 78 Cb -0.24 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.50 1omd s THR 78 CO 0.36 -0.31 1.88 -0.33 -0.54 0.00 0.00 174.62 175.67 1omd h GLU 79 N -0.60 1.02 -0.46 3.99 5.08 -1.99 0.27 114.58 121.88 1omd h GLU 79 Ca -0.45 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1omd h GLU 79 Cb 1.28 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1omd h GLU 79 CO 0.63 0.69 0.26 1.03 -1.00 0.00 0.00 179.01 180.61 1omd h SER 80 N 1.04 0.56 -0.80 1.42 0.87 -1.99 -0.62 113.55 114.03 1omd h SER 80 Ca 0.28 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1omd h SER 80 Cb -0.10 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 1omd h SER 80 CO -0.06 0.48 0.53 -0.33 -0.53 0.00 0.00 176.83 176.92 1omd h GLU 81 N 0.61 1.05 -0.40 2.24 5.08 -1.80 -1.07 114.58 120.28 1omd h GLU 81 Ca 0.16 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1omd h GLU 81 Cb 0.03 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1omd h GLU 81 CO -0.03 0.69 -0.11 1.79 -1.00 0.00 0.00 179.01 180.36 1omd h THR 82 N 1.08 1.28 -0.64 1.13 1.35 -0.51 -1.67 112.91 114.92 1omd h THR 82 Ca 0.30 -1.20 0.12 0.00 -0.55 0.00 0.00 66.41 65.08 1omd h THR 82 Cb -0.11 1.23 -0.09 0.00 -1.73 0.00 0.00 68.15 67.45 1omd h THR 82 CO -0.07 0.40 0.17 0.50 -0.25 0.00 0.00 175.52 176.27 1omd h LYS 83 N 0.58 0.29 -0.91 4.72 3.64 -1.06 -1.52 116.57 122.32 1omd h LYS 83 Ca 0.10 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1omd h LYS 83 Cb 0.63 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1omd h LYS 83 CO 0.04 0.20 0.56 0.77 -2.27 0.00 0.00 179.45 178.74 1omd h SER 84 N 0.30 1.09 -0.48 4.20 0.02 -0.82 -0.07 113.55 117.80 1omd h SER 84 Ca 0.34 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1omd h SER 84 Cb 0.51 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1omd h SER 84 CO -0.41 0.83 0.26 0.25 -1.14 0.00 0.00 176.83 176.62 1omd h LEU 85 N 1.26 0.60 -0.13 5.07 5.85 -0.73 -0.22 115.31 127.01 1omd h LEU 85 Ca 0.33 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1omd h LEU 85 Cb -0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1omd h LEU 85 CO -0.06 0.53 0.07 -0.03 -0.34 0.00 0.00 178.44 178.61 1omd h MET 86 N 0.63 0.18 -0.93 1.25 4.05 -0.99 -2.32 114.93 116.80 1omd h MET 86 Ca 0.17 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1omd h MET 86 Cb 0.06 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.77 1omd h MET 86 CO -0.03 0.19 0.61 -0.44 0.23 0.00 0.00 176.91 177.47 1omd h ASP 87 N 0.12 1.03 -0.90 1.39 3.45 -0.89 0.21 116.42 120.83 1omd h ASP 87 Ca 0.05 -0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.52 1omd h ASP 87 Cb 0.06 -0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 38.53 1omd h ASP 87 CO -0.01 0.72 0.58 0.00 -1.57 0.00 0.00 179.24 178.97 1omd h ALA 88 N 1.37 1.18 0.00 3.45 0.00 -0.87 -3.37 119.26 121.01 1omd h ALA 88 Ca 0.36 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.89 1omd h ALA 88 Cb -0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.35 1omd h ALA 88 CO -0.10 0.46 -2.28 0.00 0.00 0.00 0.00 179.25 177.33 1omd n ALA 89 N -2.35 1.52 -1.80 0.00 0.00 -0.89 -4.89 120.51 112.10 1omd n ALA 89 Ca 0.11 -0.96 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 1omd n ALA 89 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 1omd n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1omd s ASP 90 N -6.17 6.46 0.00 0.00 2.15 0.03 -4.84 116.67 114.30 1omd s ASP 90 Ca -0.30 2.76 0.00 0.00 0.43 0.00 0.00 52.55 55.44 1omd s ASP 90 Cb 0.08 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1omd s ASP 90 CO 0.52 -0.92 0.05 -3.20 -0.17 0.00 0.00 175.17 171.45 1omd n ASN 91 N 4.20 0.11 -0.10 -0.34 5.15 -1.26 -4.79 115.26 118.23 1omd n ASN 91 Ca 0.15 -0.52 0.09 0.00 -0.60 0.00 0.00 54.58 53.70 1omd n ASN 91 Cb 0.37 0.82 0.13 0.00 -0.53 0.00 0.00 39.78 40.56 1omd n ASN 91 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1omd n ASP 92 N -0.82 2.18 -2.92 1.20 5.68 -1.26 -5.03 116.55 115.58 1omd n ASP 92 Ca 0.00 -2.98 -0.20 0.00 -0.50 0.00 0.00 54.79 51.11 1omd n ASP 92 Cb 0.00 -0.40 0.01 0.00 -1.14 0.00 0.00 41.12 39.59 1omd n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1omd n GLY 93 N -1.31 -0.50 0.77 6.12 0.00 -1.26 -4.91 105.19 104.09 1omd n GLY 93 Ca 0.14 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1omd n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1omd n ASP 94 N -2.24 2.79 -2.33 1.61 5.75 -1.26 -4.99 116.55 115.89 1omd n ASP 94 Ca -0.11 -1.82 -0.20 0.00 -0.01 0.00 0.00 54.79 52.66 1omd n ASP 94 Cb 0.60 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1omd n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1omd n GLY 95 N 0.93 -0.43 3.22 6.12 0.00 -1.26 -4.99 105.19 108.77 1omd n GLY 95 Ca 0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1omd n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1omd s LYS 96 N -5.10 0.86 -0.30 1.61 -2.85 -1.26 -4.80 119.74 107.89 1omd s LYS 96 Ca 0.06 -0.88 -0.06 0.00 -1.00 0.00 0.00 55.97 54.09 1omd s LYS 96 Cb -0.03 0.35 0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1omd s LYS 96 CO 0.08 -0.28 0.07 0.42 0.10 0.00 0.00 175.35 175.74 1omd s ILE 97 N -3.69 3.79 0.53 3.79 1.01 0.71 -4.77 121.20 122.58 1omd s ILE 97 Ca 0.03 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1omd s ILE 97 Cb 0.04 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1omd s ILE 97 CO -0.10 0.01 0.83 -0.83 0.00 0.00 0.00 174.94 174.85 1omd s GLY 98 N 1.45 1.56 0.27 6.18 0.00 -1.26 0.01 107.32 115.52 1omd s GLY 98 Ca 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1omd s GLY 98 CO 0.02 -0.44 1.83 0.00 0.00 0.00 0.00 173.10 174.51 1omd h ALA 99 N 0.04 1.38 -0.09 3.20 0.00 -2.00 0.73 119.26 122.53 1omd h ALA 99 Ca -0.46 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1omd h ALA 99 Cb 1.24 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1omd h ALA 99 CO 0.61 0.20 0.05 0.38 0.00 0.00 0.00 179.25 180.49 1omd h ASP 100 N 0.94 0.11 -0.83 0.00 2.03 -1.94 -1.23 116.42 115.49 1omd h ASP 100 Ca 0.45 -0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 56.67 1omd h ASP 100 Cb 0.41 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 38.84 1omd h ASP 100 CO -0.25 0.15 0.48 -0.33 -1.03 0.00 0.00 179.24 178.26 1omd h GLU 101 N 0.06 1.16 -0.19 4.15 5.08 -1.65 -0.78 114.58 122.41 1omd h GLU 101 Ca 0.03 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1omd h GLU 101 Cb 0.07 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1omd h GLU 101 CO -0.01 0.83 0.03 0.35 -1.00 0.00 0.00 179.01 179.22 1omd h PHE 102 N 1.17 0.33 -0.12 4.33 3.04 -0.62 -1.61 116.94 123.45 1omd h PHE 102 Ca 0.30 -0.04 0.04 0.00 3.98 0.00 0.00 57.97 62.25 1omd h PHE 102 Cb -0.00 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.37 1omd h PHE 102 CO 0.01 0.46 -0.19 1.96 -2.02 0.00 0.00 178.31 178.53 1omd h GLN 103 N 0.10 -0.23 -0.76 1.11 1.08 -0.79 -1.89 115.11 113.73 1omd h GLN 103 Ca 0.06 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1omd h GLN 103 Cb 0.31 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 1omd h GLN 103 CO 0.00 -0.15 0.42 0.93 -0.95 0.00 0.00 178.83 179.08 1omd h GLU 104 N -0.24 1.05 0.73 1.46 5.08 -1.06 -1.57 114.58 120.03 1omd h GLU 104 Ca 0.10 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1omd h GLU 104 Cb 0.38 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1omd h GLU 104 CO -0.26 0.78 -0.48 1.98 -1.00 0.00 0.00 179.01 180.02 1omd h MET 105 N 1.05 -1.11 -0.95 2.33 4.05 -1.02 -1.35 114.93 117.93 1omd h MET 105 Ca 0.27 0.08 0.15 0.00 -0.28 0.00 0.00 59.70 59.91 1omd h MET 105 Cb 0.02 0.25 -0.09 0.00 -0.80 0.00 0.00 31.60 30.98 1omd h MET 105 CO -0.04 -0.74 0.57 0.28 0.23 0.00 0.00 176.91 177.21 1omd h VAL 106 N -1.15 0.81 -0.02 -5.77 2.07 -1.22 -0.71 116.25 110.26 1omd h VAL 106 Ca -0.10 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1omd h VAL 106 Cb 0.93 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1omd h VAL 106 CO 0.07 0.15 0.00 1.41 0.02 0.00 0.00 177.57 179.22 1omd n HIS 107 N -4.73 0.02 0.00 1.57 8.25 -0.60 -4.46 115.22 115.26 1omd n HIS 107 Ca 0.20 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1omd n HIS 107 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1omd n HIS 107 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41