#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yg5 s LEU 2 N 0.00 4.17 0.31 7.52 1.43 -1.26 -5.03 118.68 125.82 1yg5 s LEU 2 Ca 0.00 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 54.59 1yg5 s LEU 2 Cb 0.00 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 1yg5 s LEU 2 CO 0.00 -0.75 0.76 -0.94 0.23 0.00 0.00 176.35 175.64 1yg5 s SER 3 N 1.90 6.85 0.26 2.29 1.04 -1.26 -4.88 113.70 119.90 1yg5 s SER 3 Ca 0.54 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1yg5 s SER 3 Cb -0.21 -2.40 0.61 0.00 0.10 0.00 0.00 66.02 64.12 1yg5 s SER 3 CO 0.14 -0.17 1.34 -2.65 0.98 0.00 0.00 173.24 172.87 1yg5 n PRO 4 N -0.18 -0.07 -0.13 4.02 -0.02 -1.26 -0.75 135.00 136.61 1yg5 n PRO 4 Ca 0.03 1.29 -0.09 0.00 -2.02 0.00 0.00 63.50 62.71 1yg5 n PRO 4 Cb 0.53 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 1yg5 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yg5 h ALA 5 N 1.71 0.51 0.31 3.55 0.00 -1.99 -1.62 119.26 121.73 1yg5 h ALA 5 Ca 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1yg5 h ALA 5 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1yg5 h ALA 5 CO -0.82 0.14 -0.23 -0.44 0.00 0.00 0.00 179.25 177.90 1yg5 h ASP 6 N 0.49 -0.59 -0.74 0.00 3.32 -1.31 -1.06 116.42 116.52 1yg5 h ASP 6 Ca 0.13 0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.37 1yg5 h ASP 6 Cb 0.23 0.19 -0.14 0.00 0.22 0.00 0.00 39.33 39.83 1yg5 h ASP 6 CO -0.01 -0.35 -0.16 0.11 -1.72 0.00 0.00 179.24 177.11 1yg5 h LYS 7 N -0.54 0.01 -0.16 3.56 1.57 -0.96 0.75 116.57 120.80 1yg5 h LYS 7 Ca -0.02 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yg5 h LYS 7 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1yg5 h LYS 7 CO -0.00 0.01 0.09 1.15 -0.57 0.00 0.00 179.45 180.13 1yg5 h THR 8 N 0.01 1.08 -0.19 -0.16 2.02 -0.67 -0.32 112.91 114.68 1yg5 h THR 8 Ca 0.36 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1yg5 h THR 8 Cb 0.57 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1yg5 h THR 8 CO -0.75 0.08 -0.06 0.78 0.37 0.00 0.00 175.52 175.94 1yg5 h ASN 9 N 0.17 0.26 -0.12 4.18 2.35 -0.21 -1.44 115.58 120.77 1yg5 h ASN 9 Ca 0.06 -0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 1yg5 h ASN 9 Cb 0.04 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1yg5 h ASN 9 CO -0.01 0.36 -0.44 0.58 -1.65 0.00 0.00 177.43 176.28 1yg5 h VAL 10 N 0.28 1.30 -0.22 2.81 2.07 -0.33 0.33 116.25 122.48 1yg5 h VAL 10 Ca 0.06 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 1yg5 h VAL 10 Cb 0.28 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1yg5 h VAL 10 CO 0.01 0.52 0.01 0.11 0.02 0.00 0.00 177.57 178.24 1yg5 h LYS 11 N 0.54 0.39 0.52 1.57 1.57 -0.48 -0.63 116.57 120.05 1yg5 h LYS 11 Ca 0.04 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1yg5 h LYS 11 Cb 0.97 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1yg5 h LYS 11 CO 0.09 0.57 -0.25 0.00 -0.57 0.00 0.00 179.45 179.29 1yg5 h ALA 12 N 0.81 -0.70 0.10 3.86 0.00 -1.02 -0.81 119.26 121.50 1yg5 h ALA 12 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1yg5 h ALA 12 Cb 0.39 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1yg5 h ALA 12 CO 0.01 -0.84 -0.45 0.00 0.00 0.00 0.00 179.25 177.97 1yg5 h ALA 13 N -0.40 -0.79 0.00 0.00 0.00 -0.37 -1.39 119.26 116.31 1yg5 h ALA 13 Ca -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yg5 h ALA 13 Cb 0.59 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1yg5 h ALA 13 CO 0.12 -1.02 -0.01 2.35 0.00 0.00 0.00 179.25 180.70 1yg5 h TRP 14 N -0.67 0.00 0.00 0.00 2.91 -0.98 0.45 115.95 117.66 1yg5 h TRP 14 Ca 0.02 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1yg5 h TRP 14 Cb 0.70 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.35 1yg5 h TRP 14 CO -0.40 0.01 -0.65 0.78 -1.03 0.00 0.00 178.44 177.15 1yg5 h GLY 15 N 0.40 0.00 1.03 2.65 0.00 -0.20 -2.72 103.07 104.23 1yg5 h GLY 15 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1yg5 h GLY 15 CO 0.00 0.00 -1.00 0.50 0.00 0.00 0.00 176.54 176.04 1yg5 h LYS 16 N 0.00 0.53 -0.64 4.80 1.79 0.87 -2.86 116.57 121.07 1yg5 h LYS 16 Ca 0.00 -0.68 0.13 0.00 -2.18 0.00 0.00 60.65 57.92 1yg5 h LYS 16 Cb 0.96 0.22 -0.12 0.00 -1.58 0.00 0.00 32.23 31.72 1yg5 h LYS 16 CO 0.00 1.29 -0.12 0.28 -1.08 0.00 0.00 179.45 179.82 1yg5 h VAL 17 N 0.09 0.39 0.00 0.50 2.07 -1.21 -3.44 116.25 114.65 1yg5 h VAL 17 Ca -0.15 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1yg5 h VAL 17 Cb 1.71 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1yg5 h VAL 17 CO 0.19 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1yg5 n GLY 18 N -1.42 2.92 0.78 2.17 0.00 -1.03 -1.37 105.19 107.24 1yg5 n GLY 18 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1yg5 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yg5 n ALA 19 N 9.12 2.17 0.36 4.61 0.00 -1.26 -2.46 120.51 133.04 1yg5 n ALA 19 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1yg5 n ALA 19 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 1yg5 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yg5 n HIS 20 N 0.41 0.00 0.00 0.00 -0.00 -0.47 -4.78 115.22 110.38 1yg5 n HIS 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1yg5 n HIS 20 Cb 0.28 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.07 1yg5 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yg5 n ALA 21 N -1.75 0.00 0.23 -1.41 0.00 -1.03 0.71 120.51 117.27 1yg5 n ALA 21 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1yg5 n ALA 21 Cb 0.35 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 1yg5 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yg5 h GLY 22 N 0.00 -1.21 -0.82 0.00 0.00 -1.86 1.01 103.07 100.19 1yg5 h GLY 22 Ca 0.00 0.58 0.21 0.00 0.00 0.00 0.00 47.33 48.13 1yg5 h GLY 22 CO 0.00 -0.35 -0.11 0.83 0.00 0.00 0.00 176.54 176.91 1yg5 h GLU 23 N -0.88 0.02 -0.53 4.80 5.08 -1.59 0.55 114.58 122.03 1yg5 h GLU 23 Ca -0.05 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1yg5 h GLU 23 Cb 0.78 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1yg5 h GLU 23 CO -0.10 0.01 0.04 1.88 -1.00 0.00 0.00 179.01 179.84 1yg5 h TYR 24 N 0.02 0.93 -0.20 4.33 0.05 0.34 -1.27 116.97 121.17 1yg5 h TYR 24 Ca 0.49 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 59.14 1yg5 h TYR 24 Cb 0.86 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 1yg5 h TYR 24 CO -0.60 0.83 0.10 0.78 -1.05 0.00 0.00 178.16 178.22 1yg5 h GLY 25 N 0.99 0.30 0.99 3.88 0.00 0.56 0.95 103.07 110.74 1yg5 h GLY 25 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1yg5 h GLY 25 CO 0.02 0.13 0.24 0.00 0.00 0.00 0.00 176.54 176.93 1yg5 h ALA 26 N 0.99 0.48 -0.56 3.60 0.00 -0.20 0.23 119.26 123.79 1yg5 h ALA 26 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1yg5 h ALA 26 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1yg5 h ALA 26 CO -0.01 -0.04 0.32 1.49 0.00 0.00 0.00 179.25 181.01 1yg5 h GLU 27 N 0.50 0.60 -0.30 0.00 4.81 -0.97 -0.20 114.58 119.02 1yg5 h GLU 27 Ca 0.14 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1yg5 h GLU 27 Cb -0.03 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1yg5 h GLU 27 CO -0.03 0.40 0.17 0.00 -0.73 0.00 0.00 179.01 178.82 1yg5 h ALA 28 N 1.27 0.37 -0.76 2.92 0.00 -0.32 -0.98 119.26 121.76 1yg5 h ALA 28 Ca 0.24 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1yg5 h ALA 28 Cb 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1yg5 h ALA 28 CO -0.13 -0.20 0.49 -0.07 0.00 0.00 0.00 179.25 179.34 1yg5 h LEU 29 N 0.35 0.82 -0.72 0.00 3.38 0.42 -0.35 115.31 119.21 1yg5 h LEU 29 Ca 0.12 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1yg5 h LEU 29 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1yg5 h LEU 29 CO -0.06 0.57 -0.26 -0.08 0.09 0.00 0.00 178.44 178.70 1yg5 h GLU 30 N 0.97 0.70 -0.35 1.13 4.81 -0.73 -1.37 114.58 119.74 1yg5 h GLU 30 Ca 0.30 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1yg5 h GLU 30 Cb -0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1yg5 h GLU 30 CO -0.09 0.89 -0.06 0.00 -0.73 0.00 0.00 179.01 179.01 1yg5 h ARG 31 N 0.61 0.57 0.26 1.92 3.08 -0.12 -2.48 114.38 118.22 1yg5 h ARG 31 Ca 0.08 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1yg5 h ARG 31 Cb 0.76 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1yg5 h ARG 31 CO 0.06 0.64 -0.12 1.98 -1.07 0.00 0.00 179.97 181.46 1yg5 h MET 32 N 0.53 -0.34 -0.96 0.04 4.05 -0.04 -2.22 114.93 116.01 1yg5 h MET 32 Ca 0.10 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.70 1yg5 h MET 32 Cb 0.44 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.23 1yg5 h MET 32 CO 0.02 -0.02 0.61 0.74 0.23 0.00 0.00 176.91 178.49 1yg5 h PHE 33 N -0.67 0.98 0.12 1.39 0.04 -1.26 0.22 116.94 117.75 1yg5 h PHE 33 Ca -0.04 0.03 -0.26 0.00 2.80 0.00 0.00 57.97 60.50 1yg5 h PHE 33 Cb 0.47 -0.31 0.03 0.00 2.20 0.00 0.00 35.95 38.34 1yg5 h PHE 33 CO 0.02 0.34 -1.09 -0.07 -0.60 0.00 0.00 178.31 176.91 1yg5 h LEU 34 N 0.81 0.76 -0.09 1.54 3.38 -1.48 -3.29 115.31 116.94 1yg5 h LEU 34 Ca 0.50 -0.84 -0.15 0.00 0.09 0.00 0.00 57.88 57.47 1yg5 h LEU 34 Cb 0.70 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1yg5 h LEU 34 CO -0.26 1.53 -0.53 0.28 0.09 0.00 0.00 178.44 179.54 1yg5 h SER 35 N 0.10 0.62 -3.21 -0.43 0.02 -0.81 -3.37 113.55 106.48 1yg5 h SER 35 Ca -0.17 -0.66 -0.64 0.00 -0.84 0.00 0.00 61.79 59.48 1yg5 h SER 35 Cb 1.80 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 63.75 1yg5 h SER 35 CO 0.21 1.18 -0.48 -0.36 -1.14 0.00 0.00 176.83 176.24 1yg5 s PHE 36 N -3.61 3.62 0.45 3.45 0.08 0.71 -4.93 117.98 117.76 1yg5 s PHE 36 Ca -0.13 -3.28 0.28 0.00 0.12 0.00 0.00 56.93 53.92 1yg5 s PHE 36 Cb 0.05 -2.82 1.33 0.00 -0.57 0.00 0.00 43.02 41.02 1yg5 s PHE 36 CO 0.83 -0.59 1.74 -1.35 -0.10 0.00 0.00 175.22 175.75 1yg5 h PRO 37 N 5.56 0.19 0.00 0.24 0.11 -1.74 0.51 132.00 136.87 1yg5 h PRO 37 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1yg5 h PRO 37 Cb 0.77 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1yg5 h PRO 37 CO 0.74 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.91 1yg5 n THR 38 N -4.49 1.25 1.17 -1.15 -2.24 -1.26 -1.04 114.28 106.52 1yg5 n THR 38 Ca 0.29 0.42 0.12 0.00 -2.27 0.00 0.00 64.05 62.61 1yg5 n THR 38 Cb 1.16 -1.33 0.63 0.00 -2.10 0.00 0.00 70.33 68.69 1yg5 n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1yg5 n THR 39 N -1.82 0.20 0.26 4.28 -2.24 0.17 -3.02 114.28 112.11 1yg5 n THR 39 Ca 0.01 0.05 0.16 0.00 -2.27 0.00 0.00 64.05 62.00 1yg5 n THR 39 Cb 0.11 -0.63 0.51 0.00 -2.10 0.00 0.00 70.33 68.22 1yg5 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1yg5 h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.28 -2.67 116.57 113.41 1yg5 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yg5 h LYS 40 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1yg5 h LYS 40 CO 0.00 0.00 0.06 1.79 -0.57 0.00 0.00 179.45 180.73 1yg5 h THR 41 N 0.00 0.00 -0.38 -0.16 1.35 -1.75 0.28 112.91 112.25 1yg5 h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1yg5 h THR 41 Cb 0.67 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1yg5 h THR 41 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 1yg5 n TYR 42 N -2.77 0.50 -2.91 4.73 4.01 -1.01 -4.30 117.16 115.41 1yg5 n TYR 42 Ca -0.02 -0.25 -0.18 0.00 -0.16 0.00 0.00 57.90 57.28 1yg5 n TYR 42 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 1yg5 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yg5 n PHE 43 N 1.13 1.60 0.45 -0.72 3.01 0.09 -4.89 117.46 118.13 1yg5 n PHE 43 Ca 0.19 -3.49 0.13 0.00 1.01 0.00 0.00 57.45 55.28 1yg5 n PHE 43 Cb 0.51 -0.38 0.47 0.00 -0.01 0.00 0.00 39.48 40.07 1yg5 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yg5 h PRO 44 N 2.94 0.00 -1.05 -1.08 0.13 -1.75 -3.12 132.00 128.07 1yg5 h PRO 44 Ca 0.08 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.63 1yg5 h PRO 44 Cb 0.93 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.79 1yg5 h PRO 44 CO 0.61 0.00 0.74 -2.39 -0.23 0.00 0.00 178.00 176.73 1yg5 n HIS 45 N -2.33 2.93 -4.45 1.56 1.44 -1.26 -4.90 115.22 108.20 1yg5 n HIS 45 Ca 0.03 -2.50 -0.21 0.00 -2.01 0.00 0.00 57.72 53.03 1yg5 n HIS 45 Cb 0.30 -1.22 -0.15 0.00 0.12 0.00 0.00 29.99 29.04 1yg5 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yg5 s PHE 46 N -3.36 1.03 -0.31 -1.40 0.40 -1.18 -5.08 117.98 108.08 1yg5 s PHE 46 Ca 0.57 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 56.37 1yg5 s PHE 46 Cb 0.46 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 43.27 1yg5 s PHE 46 CO 0.03 -0.09 1.52 0.34 0.70 0.00 0.00 175.22 177.72 1yg5 s ASP 47 N 0.07 6.35 -0.48 1.36 -1.08 -1.26 -4.88 116.67 116.75 1yg5 s ASP 47 Ca -0.01 1.24 0.03 0.00 -0.52 0.00 0.00 52.55 53.29 1yg5 s ASP 47 Cb -0.08 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.31 1yg5 s ASP 47 CO 0.00 -1.35 1.61 0.18 0.52 0.00 0.00 175.17 176.14 1yg5 n LEU 48 N 8.69 6.27 -4.89 -1.34 4.77 -1.26 -4.40 117.00 124.84 1yg5 n LEU 48 Ca 0.18 -4.49 -0.29 0.00 -0.03 0.00 0.00 56.01 51.38 1yg5 n LEU 48 Cb 0.47 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1yg5 n LEU 48 CO 0.67 1.77 0.40 -0.94 -1.33 0.00 0.00 177.39 177.96 1yg5 s SER 49 N -2.70 6.42 -0.01 -1.43 1.04 -1.26 -4.97 113.70 110.79 1yg5 s SER 49 Ca 0.58 0.98 -0.39 0.00 0.48 0.00 0.00 55.95 57.60 1yg5 s SER 49 Cb 0.46 -2.26 -0.18 0.00 0.10 0.00 0.00 66.02 64.14 1yg5 s SER 49 CO 0.02 -0.43 1.30 1.57 0.98 0.00 0.00 173.24 176.68 1yg5 n HIS 50 N -1.59 1.29 -3.29 5.02 -0.00 -1.26 -3.20 115.22 112.19 1yg5 n HIS 50 Ca 0.01 0.80 -0.29 0.00 0.46 0.00 0.00 57.72 58.70 1yg5 n HIS 50 Cb 0.54 -2.26 0.03 0.00 -0.12 0.00 0.00 29.99 28.18 1yg5 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yg5 n GLY 51 N 2.42 -0.34 2.92 1.57 0.00 -1.26 -4.98 105.19 105.53 1yg5 n GLY 51 Ca 0.20 1.18 -0.11 0.00 0.00 0.00 0.00 46.02 47.29 1yg5 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yg5 s SER 52 N -1.82 0.11 0.29 1.61 0.01 -1.20 -5.01 113.70 107.69 1yg5 s SER 52 Ca 0.33 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.33 1yg5 s SER 52 Cb -0.05 0.05 0.56 0.00 0.21 0.00 0.00 66.02 66.79 1yg5 s SER 52 CO 0.83 -0.14 1.54 0.00 0.41 0.00 0.00 173.24 175.87 1yg5 n ALA 53 N 2.40 0.33 0.14 1.44 0.00 -1.26 -0.50 120.51 123.06 1yg5 n ALA 53 Ca -0.18 1.07 -0.14 0.00 0.00 0.00 0.00 53.44 54.20 1yg5 n ALA 53 Cb 0.58 -0.69 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 1yg5 n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1yg5 h GLN 54 N 0.00 -0.67 -0.82 0.00 4.20 -1.97 0.20 115.11 116.05 1yg5 h GLN 54 Ca 0.51 0.05 0.03 0.00 0.06 0.00 0.00 58.65 59.30 1yg5 h GLN 54 Cb 0.89 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.78 1yg5 h GLN 54 CO -0.98 -0.44 0.53 0.28 -0.67 0.00 0.00 178.83 177.54 1yg5 h VAL 55 N -0.69 1.13 0.00 -0.54 2.07 -1.00 0.38 116.25 117.61 1yg5 h VAL 55 Ca -0.02 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1yg5 h VAL 55 Cb 0.66 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1yg5 h VAL 55 CO -0.17 0.19 0.00 0.50 0.02 0.00 0.00 177.57 178.11 1yg5 h LYS 56 N 1.03 0.00 0.06 1.57 3.64 -0.62 0.91 116.57 123.15 1yg5 h LYS 56 Ca 0.32 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.38 1yg5 h LYS 56 Cb -0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1yg5 h LYS 56 CO -0.11 0.00 -1.84 0.41 -2.27 0.00 0.00 179.45 175.64 1yg5 n GLY 57 N 0.02 -0.79 0.17 5.01 0.00 0.72 -3.96 105.19 106.35 1yg5 n GLY 57 Ca 0.02 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1yg5 n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1yg5 h HIS 58 N 0.03 1.01 -0.99 1.61 -0.00 0.08 -2.81 115.15 114.09 1yg5 h HIS 58 Ca -0.35 -0.64 0.31 0.00 -0.00 0.00 0.00 60.37 59.68 1yg5 h HIS 58 Cb 2.02 -0.08 -0.15 0.00 -0.00 0.00 0.00 27.41 29.21 1yg5 h HIS 58 CO 0.04 1.48 0.52 0.78 -0.00 0.00 0.00 177.93 180.75 1yg5 h GLY 59 N 0.25 1.97 2.00 5.26 0.00 -1.02 0.52 103.07 112.05 1yg5 h GLY 59 Ca -0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1yg5 h GLY 59 CO 0.24 -0.46 -0.23 1.70 0.00 0.00 0.00 176.54 177.78 1yg5 h LYS 60 N 0.32 0.00 0.00 4.80 3.64 -1.63 0.11 116.57 123.82 1yg5 h LYS 60 Ca 0.71 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.90 1yg5 h LYS 60 Cb 1.57 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.36 1yg5 h LYS 60 CO -0.61 0.23 -1.12 0.87 -2.27 0.00 0.00 179.45 176.56 1yg5 h LYS 61 N 0.00 0.00 0.21 1.90 1.57 -0.01 -2.64 116.57 117.59 1yg5 h LYS 61 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1yg5 h LYS 61 Cb 0.63 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.97 1yg5 h LYS 61 CO 0.03 0.58 -1.37 0.28 -0.57 0.00 0.00 179.45 178.40 1yg5 h VAL 62 N 0.00 1.29 0.00 0.50 2.07 0.09 -2.80 116.25 117.41 1yg5 h VAL 62 Ca -0.10 -2.61 -0.14 0.00 0.82 0.00 0.00 66.70 64.67 1yg5 h VAL 62 Cb 1.67 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 34.36 1yg5 h VAL 62 CO 0.08 0.78 -0.68 0.00 0.02 0.00 0.00 177.57 177.78 1yg5 h ALA 63 N 0.19 0.60 -0.29 1.67 0.00 -0.91 -2.82 119.26 117.70 1yg5 h ALA 63 Ca -0.23 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.07 1yg5 h ALA 63 Cb 2.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1yg5 h ALA 63 CO 0.26 0.85 0.19 -0.44 0.00 0.00 0.00 179.25 180.11 1yg5 h ASP 64 N 0.00 0.30 -0.03 0.00 5.19 -1.51 -0.81 116.42 119.56 1yg5 h ASP 64 Ca -0.01 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.22 1yg5 h ASP 64 Cb 1.46 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.90 1yg5 h ASP 64 CO 0.09 0.21 -0.60 0.00 -3.12 0.00 0.00 179.24 175.82 1yg5 h ALA 65 N 1.83 0.59 -0.66 3.45 0.00 -1.30 -1.50 119.26 121.67 1yg5 h ALA 65 Ca 0.11 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1yg5 h ALA 65 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1yg5 h ALA 65 CO -0.02 0.70 0.10 -0.07 0.00 0.00 0.00 179.25 179.95 1yg5 h LEU 66 N 0.47 1.05 -0.38 0.00 3.38 -1.25 -2.23 115.31 116.34 1yg5 h LEU 66 Ca -0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1yg5 h LEU 66 Cb 1.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1yg5 h LEU 66 CO 0.12 1.04 0.20 0.74 0.09 0.00 0.00 178.44 180.62 1yg5 h THR 67 N 1.02 1.16 -0.61 0.22 2.02 -0.38 0.41 112.91 116.74 1yg5 h THR 67 Ca 0.20 -0.44 0.16 0.00 0.77 0.00 0.00 66.41 67.10 1yg5 h THR 67 Cb 0.45 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1yg5 h THR 67 CO 0.01 0.17 0.43 -1.13 0.37 0.00 0.00 175.52 175.37 1yg5 h ASN 68 N 0.49 0.12 0.13 4.18 -1.24 -1.06 0.11 115.58 118.30 1yg5 h ASN 68 Ca 0.13 0.01 -0.20 0.00 0.71 0.00 0.00 56.30 56.95 1yg5 h ASN 68 Cb 0.09 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.12 1yg5 h ASN 68 CO -0.02 0.06 -0.74 0.00 -1.29 0.00 0.00 177.43 175.44 1yg5 h ALA 69 N 1.70 0.51 0.18 1.57 0.00 0.30 -0.79 119.26 122.73 1yg5 h ALA 69 Ca 0.30 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1yg5 h ALA 69 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1yg5 h ALA 69 CO -0.04 0.74 -0.09 0.28 0.00 0.00 0.00 179.25 180.14 1yg5 h VAL 70 N 0.36 0.92 -0.49 0.00 2.07 0.15 -1.23 116.25 118.03 1yg5 h VAL 70 Ca -0.04 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.08 1yg5 h VAL 70 Cb 1.33 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1yg5 h VAL 70 CO 0.14 0.11 0.34 0.00 0.02 0.00 0.00 177.57 178.18 1yg5 h ALA 71 N 0.28 2.14 -0.91 1.67 0.00 -1.35 -2.41 119.26 118.68 1yg5 h ALA 71 Ca -0.02 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 1yg5 h ALA 71 Cb 0.37 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 17.77 1yg5 h ALA 71 CO 0.04 -0.25 0.09 0.72 0.00 0.00 0.00 179.25 179.85 1yg5 n HIS 72 N -4.46 3.03 0.44 0.00 -0.00 -0.30 -4.83 115.22 109.10 1yg5 n HIS 72 Ca 0.08 -2.66 -0.18 0.00 -0.00 0.00 0.00 57.72 54.96 1yg5 n HIS 72 Cb 0.39 -0.91 -0.09 0.00 -0.00 0.00 0.00 29.99 29.38 1yg5 n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1yg5 h VAL 73 N 1.62 0.08 0.00 1.59 3.04 -0.71 -2.85 116.25 119.02 1yg5 h VAL 73 Ca 0.49 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 1yg5 h VAL 73 Cb 1.09 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1yg5 h VAL 73 CO 1.20 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.24 1yg5 n ASP 74 N -5.54 0.00 -2.94 3.17 8.00 -1.26 -2.64 116.55 115.35 1yg5 n ASP 74 Ca -0.14 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.23 1yg5 n ASP 74 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1yg5 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yg5 n ASP 75 N -0.84 -2.12 0.12 -2.24 2.03 -1.08 -5.03 116.55 107.40 1yg5 n ASP 75 Ca 0.00 -2.92 -0.24 0.00 0.52 0.00 0.00 54.79 52.14 1yg5 n ASP 75 Cb 0.00 0.97 -0.16 0.00 -0.72 0.00 0.00 41.12 41.21 1yg5 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yg5 h MET 76 N 4.57 0.49 -0.97 -0.67 2.86 -1.53 -3.28 114.93 116.41 1yg5 h MET 76 Ca 0.02 -0.84 0.03 0.00 -2.06 0.00 0.00 59.70 56.85 1yg5 h MET 76 Cb 1.01 0.31 -0.05 0.00 0.06 0.00 0.00 31.60 32.93 1yg5 h MET 76 CO 0.26 1.40 0.64 -1.35 1.06 0.00 0.00 176.91 178.92 1yg5 h PRO 77 N 0.10 1.20 0.17 -0.22 0.11 -1.91 -1.77 132.00 129.67 1yg5 h PRO 77 Ca -0.27 -0.07 -0.28 0.00 0.11 0.00 0.00 66.00 65.48 1yg5 h PRO 77 Cb 2.12 -0.27 0.03 0.00 0.11 0.00 0.00 31.00 32.99 1yg5 h PRO 77 CO 0.24 0.79 -1.21 -0.91 -0.21 0.00 0.00 178.00 176.70 1yg5 h ASN 78 N 1.23 0.78 -1.01 -2.05 4.21 -1.98 -1.81 115.58 114.95 1yg5 h ASN 78 Ca 0.38 -0.88 0.24 0.00 1.21 0.00 0.00 56.30 57.26 1yg5 h ASN 78 Cb -0.01 -0.25 -0.12 0.00 -1.12 0.00 0.00 38.32 36.82 1yg5 h ASN 78 CO -0.11 1.59 0.61 0.00 -1.29 0.00 0.00 177.43 178.22 1yg5 h ALA 79 N 0.20 1.85 -0.02 -0.83 0.00 -1.61 -2.66 119.26 116.20 1yg5 h ALA 79 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1yg5 h ALA 79 Cb 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1yg5 h ALA 79 CO 0.23 -0.30 -0.19 1.28 0.00 0.00 0.00 179.25 180.26 1yg5 n LEU 80 N -4.83 2.12 -0.28 0.00 4.77 -0.67 -4.76 117.00 113.37 1yg5 n LEU 80 Ca 0.26 -0.88 0.09 0.00 -0.03 0.00 0.00 56.01 55.46 1yg5 n LEU 80 Cb 0.75 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 42.02 1yg5 n LEU 80 CO 0.19 0.38 0.59 -1.54 -1.33 0.00 0.00 177.39 175.67 1yg5 n SER 81 N 0.45 -0.17 0.11 -1.43 3.41 -0.68 -0.54 113.62 114.78 1yg5 n SER 81 Ca 0.09 1.35 -0.05 0.00 -0.26 0.00 0.00 58.87 59.99 1yg5 n SER 81 Cb 0.42 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1yg5 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yg5 h ALA 82 N 1.58 -0.96 -0.84 7.33 0.00 -1.85 -1.18 119.26 123.33 1yg5 h ALA 82 Ca 0.44 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.53 1yg5 h ALA 82 Cb 0.83 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1yg5 h ALA 82 CO -0.77 -0.96 1.07 -0.07 0.00 0.00 0.00 179.25 178.52 1yg5 h LEU 83 N -0.32 0.00 -0.07 0.00 3.38 -1.17 1.73 115.31 118.86 1yg5 h LEU 83 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.69 1yg5 h LEU 83 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1yg5 h LEU 83 CO 0.02 0.00 -1.00 0.28 0.09 0.00 0.00 178.44 177.83 1yg5 h SER 84 N 0.00 0.76 1.13 -0.43 0.02 -0.38 -2.98 113.55 111.68 1yg5 h SER 84 Ca 0.40 -0.61 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 1yg5 h SER 84 Cb 2.53 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.83 1yg5 h SER 84 CO -0.00 1.41 -0.33 0.44 -1.14 0.00 0.00 176.83 177.21 1yg5 h ASP 85 N 0.33 0.00 0.51 3.07 3.32 0.33 -2.50 116.42 121.48 1yg5 h ASP 85 Ca -0.11 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.65 1yg5 h ASP 85 Cb 1.65 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 1yg5 h ASP 85 CO 0.19 0.33 -1.49 0.25 -1.72 0.00 0.00 179.24 176.80 1yg5 h LEU 86 N 0.00 0.33 0.17 1.55 5.85 -1.55 -2.73 115.31 118.93 1yg5 h LEU 86 Ca -0.00 -0.45 -0.34 0.00 0.84 0.00 0.00 57.88 57.93 1yg5 h LEU 86 Cb 0.98 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.91 1yg5 h LEU 86 CO 0.04 1.38 -1.68 0.45 -0.34 0.00 0.00 178.44 178.29 1yg5 h HIS 87 N 0.06 0.66 0.00 1.25 3.86 -1.56 0.89 115.15 120.30 1yg5 h HIS 87 Ca -0.22 -0.48 -0.04 0.00 -1.16 0.00 0.00 60.37 58.47 1yg5 h HIS 87 Cb 1.99 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 30.43 1yg5 h HIS 87 CO 0.05 1.58 -0.27 0.00 0.86 0.00 0.00 177.93 180.15 1yg5 h ALA 88 N 0.23 0.05 0.02 2.45 0.00 -1.58 0.21 119.26 120.64 1yg5 h ALA 88 Ca -0.31 -0.51 -0.32 0.00 0.00 0.00 0.00 54.91 53.76 1yg5 h ALA 88 Cb 2.08 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 20.00 1yg5 h ALA 88 CO 0.18 0.17 -1.92 0.72 0.00 0.00 0.00 179.25 178.40 1yg5 n HIS 89 N -4.62 0.81 -0.07 0.00 8.25 -1.08 -3.71 115.22 114.81 1yg5 n HIS 89 Ca -0.11 0.26 -0.06 0.00 -0.26 0.00 0.00 57.72 57.54 1yg5 n HIS 89 Cb 0.39 -1.14 -0.02 0.00 1.12 0.00 0.00 29.99 30.34 1yg5 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yg5 n LYS 90 N -3.08 0.41 -0.04 -0.41 4.81 -1.05 -4.70 118.16 114.10 1yg5 n LYS 90 Ca -0.24 0.25 -0.15 0.00 -0.87 0.00 0.00 58.31 57.31 1yg5 n LYS 90 Cb 1.07 -1.32 -0.08 0.00 0.02 0.00 0.00 35.03 34.72 1yg5 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yg5 h LEU 91 N -0.80 0.49 -2.56 3.14 3.38 0.64 -3.49 115.31 116.10 1yg5 h LEU 91 Ca 0.00 -0.59 -0.18 0.00 0.09 0.00 0.00 57.88 57.20 1yg5 h LEU 91 Cb 0.69 -0.14 0.14 0.00 0.09 0.00 0.00 40.66 41.44 1yg5 h LEU 91 CO 0.00 0.99 -0.59 0.54 0.09 0.00 0.00 178.44 179.47 1yg5 n ARG 92 N -4.39 -1.75 -3.55 1.13 1.74 0.68 -4.98 116.66 105.53 1yg5 n ARG 92 Ca -0.07 0.60 -0.37 0.00 -0.77 0.00 0.00 57.85 57.23 1yg5 n ARG 92 Cb 0.49 -4.51 -0.06 0.00 -1.02 0.00 0.00 32.46 27.35 1yg5 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yg5 s VAL 93 N -3.27 5.19 0.16 1.55 1.01 -0.87 -5.02 120.40 119.16 1yg5 s VAL 93 Ca 0.30 0.67 -0.31 0.00 0.00 0.00 0.00 61.98 62.64 1yg5 s VAL 93 Cb -0.04 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1yg5 s VAL 93 CO 0.51 0.51 1.43 -0.62 0.00 0.00 0.00 175.10 176.93 1yg5 s ASP 94 N -0.49 6.75 0.43 3.32 -1.08 -1.26 -4.88 116.67 119.46 1yg5 s ASP 94 Ca 0.21 2.47 0.30 0.00 -0.52 0.00 0.00 52.55 55.00 1yg5 s ASP 94 Cb -0.15 -2.60 1.44 0.00 -1.46 0.00 0.00 42.92 40.16 1yg5 s ASP 94 CO 0.09 -0.68 1.60 -0.65 0.52 0.00 0.00 175.17 176.05 1yg5 h PRO 95 N 6.29 0.05 -0.74 4.34 0.11 -1.97 0.34 132.00 140.43 1yg5 h PRO 95 Ca -0.43 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.83 1yg5 h PRO 95 Cb 1.21 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1yg5 h PRO 95 CO 0.85 0.03 0.49 0.28 -0.21 0.00 0.00 178.00 179.45 1yg5 h VAL 96 N 0.05 0.79 0.00 3.15 2.07 -2.02 0.10 116.25 120.39 1yg5 h VAL 96 Ca 0.85 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 68.18 1yg5 h VAL 96 Cb 2.65 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1yg5 h VAL 96 CO -0.47 0.07 -0.31 0.78 0.02 0.00 0.00 177.57 177.66 1yg5 h ASN 97 N 0.37 0.00 -0.36 0.57 4.21 -0.68 -2.64 115.58 117.06 1yg5 h ASN 97 Ca 0.36 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.73 1yg5 h ASN 97 Cb 0.87 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 1yg5 h ASN 97 CO -0.11 0.31 -0.30 -0.26 -1.29 0.00 0.00 177.43 175.79 1yg5 h PHE 98 N 0.00 1.03 -0.85 1.19 -1.00 -0.91 -0.81 116.94 115.58 1yg5 h PHE 98 Ca -0.00 -0.27 0.07 0.00 2.81 0.00 0.00 57.97 60.58 1yg5 h PHE 98 Cb 0.58 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.85 1yg5 h PHE 98 CO 0.00 1.06 0.56 0.87 -1.61 0.00 0.00 178.31 179.19 1yg5 h LYS 99 N 0.74 0.90 -0.27 1.51 1.57 -1.48 -1.17 116.57 118.37 1yg5 h LYS 99 Ca 0.08 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1yg5 h LYS 99 Cb 0.86 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1yg5 h LYS 99 CO 0.08 0.59 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.00 1yg5 h LEU 100 N 0.93 0.78 -0.66 2.94 3.38 -0.98 -2.45 115.31 119.25 1yg5 h LEU 100 Ca 0.37 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1yg5 h LEU 100 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1yg5 h LEU 100 CO -0.14 1.13 -0.58 0.25 0.09 0.00 0.00 178.44 179.20 1yg5 h LEU 101 N 0.57 0.33 0.39 1.67 5.85 -0.52 -1.92 115.31 121.68 1yg5 h LEU 101 Ca 0.03 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1yg5 h LEU 101 Cb 1.04 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1yg5 h LEU 101 CO 0.10 0.84 -0.24 0.28 -0.34 0.00 0.00 178.44 179.08 1yg5 h SER 102 N 0.23 -0.59 -0.59 1.25 0.02 -1.05 0.11 113.55 112.93 1yg5 h SER 102 Ca -0.00 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.10 1yg5 h SER 102 Cb 1.08 0.18 -0.10 0.00 0.14 0.00 0.00 62.40 63.69 1yg5 h SER 102 CO 0.09 -0.38 -0.04 -0.74 -1.14 0.00 0.00 176.83 174.63 1yg5 h HIS 103 N -0.60 -0.11 -0.61 3.45 -0.00 -1.28 0.39 115.15 116.40 1yg5 h HIS 103 Ca -0.04 0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.32 1yg5 h HIS 103 Cb 0.49 0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 28.01 1yg5 h HIS 103 CO -0.09 -0.18 0.17 0.00 -0.00 0.00 0.00 177.93 177.82 1yg5 h LEU 105 N 0.89 -0.23 -0.72 0.00 7.12 0.21 0.11 115.31 122.68 1yg5 h LEU 105 Ca 0.19 0.08 0.03 0.00 0.13 0.00 0.00 57.88 58.31 1yg5 h LEU 105 Cb 0.33 0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.57 1yg5 h LEU 105 CO -0.00 -0.08 0.45 -0.07 -0.13 0.00 0.00 178.44 178.61 1yg5 h LEU 106 N 0.01 0.75 0.31 2.25 3.38 0.12 1.13 115.31 123.27 1yg5 h LEU 106 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1yg5 h LEU 106 Cb 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1yg5 h LEU 106 CO -0.27 0.52 -0.37 0.58 0.09 0.00 0.00 178.44 178.99 1yg5 h VAL 107 N 0.89 0.24 0.25 1.22 2.07 -0.53 2.26 116.25 122.66 1yg5 h VAL 107 Ca 0.28 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.80 1yg5 h VAL 107 Cb -0.00 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1yg5 h VAL 107 CO -0.10 0.00 -0.43 0.74 0.02 0.00 0.00 177.57 177.80 1yg5 h THR 108 N -0.72 0.00 -0.45 2.57 2.02 0.31 0.13 112.91 116.76 1yg5 h THR 108 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1yg5 h THR 108 Cb 0.67 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 1yg5 h THR 108 CO -0.10 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.73 1yg5 h LEU 109 N -0.73 -0.16 -1.69 2.58 3.38 0.16 0.51 115.31 119.36 1yg5 h LEU 109 Ca -0.03 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yg5 h LEU 109 Cb 0.68 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1yg5 h LEU 109 CO -0.15 -0.05 0.22 0.00 0.09 0.00 0.00 178.44 178.56 1yg5 h ALA 110 N 1.40 1.19 -0.01 1.53 0.00 0.47 -1.88 119.26 121.96 1yg5 h ALA 110 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1yg5 h ALA 110 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yg5 h ALA 110 CO -0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 179.25 178.68 1yg5 n ALA 111 N -1.80 2.50 0.10 0.00 0.00 0.18 -4.36 120.51 117.12 1yg5 n ALA 111 Ca -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 53.44 52.85 1yg5 n ALA 111 Cb 0.26 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 1yg5 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yg5 n HIS 112 N 0.65 0.00 -3.07 0.00 8.25 -0.79 -4.77 115.22 115.48 1yg5 n HIS 112 Ca 0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 1yg5 n HIS 112 Cb 0.30 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 1yg5 n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yg5 n LEU 113 N -1.24 3.63 -0.29 2.41 4.77 -0.77 -4.92 117.00 120.59 1yg5 n LEU 113 Ca 0.00 -5.50 0.15 0.00 -0.03 0.00 0.00 56.01 50.63 1yg5 n LEU 113 Cb 0.06 -0.34 0.40 0.00 -2.33 0.00 0.00 43.42 41.22 1yg5 n LEU 113 CO 0.06 2.28 1.22 -0.65 -1.33 0.00 0.00 177.39 178.97 1yg5 h PRO 114 N 3.24 0.61 0.00 3.23 0.11 -1.84 -1.28 132.00 136.06 1yg5 h PRO 114 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1yg5 h PRO 114 Cb 0.62 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1yg5 h PRO 114 CO 0.76 0.40 -0.90 0.00 -0.21 0.00 0.00 178.00 178.05 1yg5 n ALA 115 N -2.43 3.57 0.05 -0.75 0.00 -1.26 -4.18 120.51 115.52 1yg5 n ALA 115 Ca 0.20 -0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.34 1yg5 n ALA 115 Cb 0.58 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 1yg5 n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yg5 n GLU 116 N -1.82 0.63 -1.31 0.00 4.71 -0.52 -4.52 120.64 117.80 1yg5 n GLU 116 Ca 0.03 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.89 1yg5 n GLU 116 Cb 0.40 -1.70 -0.08 0.00 -1.01 0.00 0.00 31.44 29.05 1yg5 n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1yg5 n PHE 117 N -2.52 1.53 -1.28 -0.32 7.35 -0.98 -4.71 117.46 116.53 1yg5 n PHE 117 Ca -0.03 -2.40 -0.30 0.00 -0.76 0.00 0.00 57.45 53.97 1yg5 n PHE 117 Cb 0.58 -1.99 0.21 0.00 0.35 0.00 0.00 39.48 38.62 1yg5 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yg5 s THR 118 N 0.90 1.79 -1.14 -2.13 -4.23 -1.26 -4.61 115.64 104.95 1yg5 s THR 118 Ca 0.66 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.23 1yg5 s THR 118 Cb 0.25 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.56 1yg5 s THR 118 CO -0.06 0.00 1.15 -2.65 -0.54 0.00 0.00 174.62 172.52 1yg5 n PRO 119 N -4.38 0.03 -0.10 3.99 -0.02 -1.26 -0.06 135.00 133.20 1yg5 n PRO 119 Ca 0.11 0.34 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 1yg5 n PRO 119 Cb 0.59 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.45 1yg5 n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yg5 n ALA 120 N -1.43 1.54 0.11 3.55 0.00 -1.26 -3.29 120.51 119.74 1yg5 n ALA 120 Ca 0.02 -1.06 -0.13 0.00 0.00 0.00 0.00 53.44 52.27 1yg5 n ALA 120 Cb 0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 1yg5 n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yg5 h VAL 121 N 0.00 0.89 -0.65 0.00 2.07 -1.78 0.35 116.25 117.12 1yg5 h VAL 121 Ca -0.49 -0.60 0.13 0.00 0.82 0.00 0.00 66.70 66.56 1yg5 h VAL 121 Cb 1.93 1.24 -0.12 0.00 -1.52 0.00 0.00 31.29 32.82 1yg5 h VAL 121 CO -0.02 0.13 -0.14 -0.74 0.02 0.00 0.00 177.57 176.82 1yg5 h HIS 122 N -0.58 -0.30 0.28 1.57 6.17 -0.65 0.12 115.15 121.76 1yg5 h HIS 122 Ca -0.03 0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.11 1yg5 h HIS 122 Cb 0.43 0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.57 1yg5 h HIS 122 CO 0.02 -0.27 -0.24 0.00 0.71 0.00 0.00 177.93 178.16 1yg5 h ALA 123 N 1.64 -0.52 0.06 5.26 0.00 -1.48 -1.24 119.26 122.99 1yg5 h ALA 123 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yg5 h ALA 123 Cb 0.50 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1yg5 h ALA 123 CO -0.65 -0.82 -0.06 0.77 0.00 0.00 0.00 179.25 178.49 1yg5 h SER 124 N -0.53 -0.15 -0.76 0.00 0.02 0.17 -1.35 113.55 110.95 1yg5 h SER 124 Ca -0.01 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 1yg5 h SER 124 Cb 0.48 0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.96 1yg5 h SER 124 CO -0.03 -0.09 0.21 -0.07 -1.14 0.00 0.00 176.83 175.71 1yg5 h LEU 125 N -0.13 0.07 -1.21 5.07 3.38 -0.59 1.02 115.31 122.92 1yg5 h LEU 125 Ca 0.00 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1yg5 h LEU 125 Cb 0.12 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1yg5 h LEU 125 CO -0.01 -0.02 0.55 -0.78 0.09 0.00 0.00 178.44 178.26 1yg5 h ASP 126 N 0.30 0.87 -0.01 -0.43 3.58 -0.23 -0.22 116.42 120.27 1yg5 h ASP 126 Ca 0.43 -0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.73 1yg5 h ASP 126 Cb 0.75 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1yg5 h ASP 126 CO -0.51 0.58 -0.49 0.11 -2.88 0.00 0.00 179.24 176.05 1yg5 h LYS 127 N 1.00 0.57 -0.26 0.28 1.57 0.19 -2.05 116.57 117.87 1yg5 h LYS 127 Ca 0.35 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1yg5 h LYS 127 Cb 0.11 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1yg5 h LYS 127 CO -0.11 0.93 0.13 0.35 -0.57 0.00 0.00 179.45 180.17 1yg5 h PHE 128 N 0.45 0.37 -0.33 -1.35 3.57 0.19 0.50 116.94 120.34 1yg5 h PHE 128 Ca 0.02 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 1yg5 h PHE 128 Cb 1.02 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1yg5 h PHE 128 CO 0.04 0.35 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.95 1yg5 h LEU 129 N 0.29 0.94 -0.73 0.59 3.38 -0.98 -0.26 115.31 118.54 1yg5 h LEU 129 Ca 0.09 -0.46 0.15 0.00 0.09 0.00 0.00 57.88 57.75 1yg5 h LEU 129 Cb 0.11 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.49 1yg5 h LEU 129 CO -0.01 1.25 0.22 0.00 0.09 0.00 0.00 178.44 179.98 1yg5 h ALA 130 N 0.79 0.97 -0.31 1.53 0.00 -1.25 0.42 119.26 121.41 1yg5 h ALA 130 Ca 0.04 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1yg5 h ALA 130 Cb 1.04 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1yg5 h ALA 130 CO 0.10 -0.29 -0.16 0.77 0.00 0.00 0.00 179.25 179.67 1yg5 h SER 131 N 0.33 0.67 -0.99 0.00 0.02 0.43 -0.42 113.55 113.58 1yg5 h SER 131 Ca 0.41 -0.41 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1yg5 h SER 131 Cb 0.67 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 1yg5 h SER 131 CO -0.46 0.94 0.65 0.58 -1.14 0.00 0.00 176.83 177.40 1yg5 h VAL 132 N 0.41 1.21 -0.64 2.27 2.07 0.16 -1.74 116.25 119.99 1yg5 h VAL 132 Ca 0.07 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1yg5 h VAL 132 Cb 0.69 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1yg5 h VAL 132 CO 0.05 0.24 0.42 0.28 0.02 0.00 0.00 177.57 178.57 1yg5 h SER 133 N 1.30 0.71 0.48 0.57 0.02 0.62 -0.76 113.55 116.50 1yg5 h SER 133 Ca 0.38 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1yg5 h SER 133 Cb -0.08 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1yg5 h SER 133 CO -0.10 0.51 -0.33 0.74 -1.14 0.00 0.00 176.83 176.51 1yg5 h THR 134 N 0.84 0.00 -0.98 -2.27 2.02 -0.28 -0.94 112.91 111.30 1yg5 h THR 134 Ca 0.24 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.71 1yg5 h THR 134 Cb -0.06 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.31 1yg5 h THR 134 CO -0.07 0.00 0.81 0.58 0.37 0.00 0.00 175.52 177.21 1yg5 h VAL 135 N -0.76 0.34 0.00 3.16 2.07 -1.26 0.36 116.25 120.15 1yg5 h VAL 135 Ca -0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1yg5 h VAL 135 Cb 0.62 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1yg5 h VAL 135 CO 0.04 0.00 -0.61 -0.07 0.02 0.00 0.00 177.57 176.96 1yg5 h LEU 136 N 0.00 0.00 -0.76 2.57 3.38 -0.17 -3.33 115.31 116.99 1yg5 h LEU 136 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1yg5 h LEU 136 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1yg5 h LEU 136 CO -0.00 0.27 -0.19 0.35 0.09 0.00 0.00 178.44 178.96 1yg5 n THR 137 N -3.03 0.00 -0.16 0.22 -2.24 0.67 -4.03 114.28 105.71 1yg5 n THR 137 Ca 0.00 -0.41 -0.03 0.00 -2.27 0.00 0.00 64.05 61.35 1yg5 n THR 137 Cb 0.66 1.11 0.04 0.00 -2.10 0.00 0.00 70.33 70.04 1yg5 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1yg5 h SER 138 N 1.08 -0.46 0.00 3.42 4.64 -0.58 -2.13 113.55 119.51 1yg5 h SER 138 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1yg5 h SER 138 Cb 0.32 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1yg5 h SER 138 CO 0.00 -0.16 0.00 0.29 -0.87 0.00 0.00 176.83 176.09 1yg5 n LYS 139 N -5.36 0.92 -0.04 4.77 5.02 -1.26 -3.82 118.16 118.39 1yg5 n LYS 139 Ca 0.05 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1yg5 n LYS 139 Cb 0.27 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 1yg5 n LYS 139 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1yg5 h TYR 140 N 0.08 -1.18 0.00 2.13 3.20 -1.70 -3.44 116.97 116.06 1yg5 h TYR 140 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1yg5 h TYR 140 Cb 0.52 0.55 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1yg5 h TYR 140 CO 0.00 -0.46 0.00 2.89 -1.64 0.00 0.00 178.16 178.95