#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygd s LEU 2 N 0.00 4.11 0.62 7.52 1.43 -1.26 -5.04 118.68 126.06 1ygd s LEU 2 Ca 0.00 1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 1ygd s LEU 2 Cb 0.00 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.72 1ygd s LEU 2 CO 0.00 -0.67 0.90 -0.94 0.23 0.00 0.00 176.35 175.88 1ygd s SER 3 N 1.23 5.14 0.47 2.29 1.04 -1.26 -4.89 113.70 117.72 1ygd s SER 3 Ca 0.45 0.36 0.18 0.00 0.48 0.00 0.00 55.95 57.42 1ygd s SER 3 Cb -0.15 -1.17 1.15 0.00 0.10 0.00 0.00 66.02 65.95 1ygd s SER 3 CO 0.07 -1.32 2.02 -0.65 0.98 0.00 0.00 173.24 174.34 1ygd h PRO 4 N -0.27 0.00 -0.18 4.02 0.11 -1.99 -1.46 132.00 132.23 1ygd h PRO 4 Ca -0.44 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.49 1ygd h PRO 4 Cb 1.30 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 1ygd h PRO 4 CO 0.58 0.16 -0.61 0.00 -0.21 0.00 0.00 178.00 177.92 1ygd h ALA 5 N 1.84 0.31 0.55 -0.75 0.00 -1.98 -2.50 119.26 116.72 1ygd h ALA 5 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1ygd h ALA 5 Cb 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ygd h ALA 5 CO 0.02 0.57 -0.27 -0.44 0.00 0.00 0.00 179.25 179.14 1ygd h ASP 6 N 0.44 -0.63 -1.13 0.00 3.32 -1.86 0.26 116.42 116.82 1ygd h ASP 6 Ca -0.03 0.00 0.32 0.00 0.02 0.00 0.00 57.03 57.34 1ygd h ASP 6 Cb 1.24 0.16 -0.09 0.00 0.22 0.00 0.00 39.33 40.86 1ygd h ASP 6 CO 0.13 -0.42 0.75 0.11 -1.72 0.00 0.00 179.24 178.09 1ygd h LYS 7 N -0.79 0.25 0.09 3.56 1.57 -1.30 0.58 116.57 120.52 1ygd h LYS 7 Ca -0.08 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.43 1ygd h LYS 7 Cb 0.59 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1ygd h LYS 7 CO 0.12 0.16 -1.21 1.15 -0.57 0.00 0.00 179.45 179.11 1ygd h THR 8 N 0.25 1.52 -0.41 -0.16 2.02 -0.95 -2.17 112.91 113.01 1ygd h THR 8 Ca 0.63 -3.14 -0.13 0.00 0.77 0.00 0.00 66.41 64.55 1ygd h THR 8 Cb 1.88 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 71.17 1ygd h THR 8 CO -0.26 0.90 -0.26 0.78 0.37 0.00 0.00 175.52 177.06 1ygd h ASN 9 N 0.05 0.93 -0.02 4.18 2.35 0.35 -2.61 115.58 120.81 1ygd h ASN 9 Ca -0.11 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1ygd h ASN 9 Cb 1.92 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 40.03 1ygd h ASN 9 CO 0.18 1.16 0.01 0.58 -1.65 0.00 0.00 177.43 177.70 1ygd h VAL 10 N 0.72 1.15 -0.70 2.81 2.07 -0.33 -0.83 116.25 121.14 1ygd h VAL 10 Ca 0.08 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1ygd h VAL 10 Cb 0.83 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1ygd h VAL 10 CO 0.07 0.12 0.46 0.11 0.02 0.00 0.00 177.57 178.36 1ygd h LYS 11 N -0.15 0.61 0.30 1.57 1.57 -1.40 -0.25 116.57 118.82 1ygd h LYS 11 Ca 0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1ygd h LYS 11 Cb 0.19 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ygd h LYS 11 CO -0.00 0.40 -0.14 0.00 -0.57 0.00 0.00 179.45 179.14 1ygd h ALA 12 N 1.64 -0.43 -0.59 3.86 0.00 -1.27 -1.94 119.26 120.52 1ygd h ALA 12 Ca 0.32 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1ygd h ALA 12 Cb 0.43 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1ygd h ALA 12 CO -0.11 -0.40 -0.24 0.00 0.00 0.00 0.00 179.25 178.50 1ygd h ALA 13 N -1.21 0.20 0.00 0.00 0.00 -1.00 0.27 119.26 117.51 1ygd h ALA 13 Ca -0.04 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1ygd h ALA 13 Cb 0.31 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ygd h ALA 13 CO 0.07 -0.54 -0.27 2.35 0.00 0.00 0.00 179.25 180.86 1ygd h TRP 14 N -0.09 0.00 -0.40 0.00 2.91 -1.16 -2.59 115.95 114.62 1ygd h TRP 14 Ca 0.27 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.26 1ygd h TRP 14 Cb 0.51 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 1ygd h TRP 14 CO -0.56 0.27 0.14 0.78 -1.03 0.00 0.00 178.44 178.04 1ygd h GLY 15 N 1.46 0.66 1.86 2.65 0.00 0.33 -2.55 103.07 107.48 1ygd h GLY 15 Ca -0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1ygd h GLY 15 CO 0.03 0.35 -0.17 0.50 0.00 0.00 0.00 176.54 177.26 1ygd h LYS 16 N 0.51 0.17 -0.35 4.80 1.79 -0.95 -2.41 116.57 120.13 1ygd h LYS 16 Ca 0.13 -0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 1ygd h LYS 16 Cb 0.23 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 1ygd h LYS 16 CO -0.01 0.34 -0.10 0.28 -1.08 0.00 0.00 179.45 178.89 1ygd h VAL 17 N 0.16 0.62 0.00 0.50 2.07 -1.23 -3.45 116.25 114.93 1ygd h VAL 17 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1ygd h VAL 17 Cb 0.40 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ygd h VAL 17 CO 0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1ygd n GLY 18 N -1.29 3.44 0.00 2.17 0.00 -0.91 -2.18 105.19 106.42 1ygd n GLY 18 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1ygd n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ygd n ALA 19 N 11.02 2.46 0.95 4.61 0.00 -1.26 -2.77 120.51 135.53 1ygd n ALA 19 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1ygd n ALA 19 Cb 0.00 -1.19 0.23 0.00 0.00 0.00 0.00 19.45 18.49 1ygd n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ygd n HIS 20 N -0.71 0.14 0.00 0.00 8.25 -0.93 -4.68 115.22 117.29 1ygd n HIS 20 Ca 0.09 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1ygd n HIS 20 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1ygd n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ygd n ALA 21 N 1.07 -0.12 -0.34 -1.41 0.00 -1.11 -0.58 120.51 118.02 1ygd n ALA 21 Ca 0.16 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.76 1ygd n ALA 21 Cb 0.53 0.35 0.36 0.00 0.00 0.00 0.00 19.45 20.69 1ygd n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ygd h GLY 22 N 0.00 1.84 1.65 0.00 0.00 -1.83 0.59 103.07 105.32 1ygd h GLY 22 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1ygd h GLY 22 CO 0.00 -0.20 0.04 0.83 0.00 0.00 0.00 176.54 177.21 1ygd h GLU 23 N 0.61 0.44 0.08 4.80 5.08 -1.60 0.28 114.58 124.27 1ygd h GLU 23 Ca 0.62 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.63 1ygd h GLU 23 Cb 1.12 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.31 1ygd h GLU 23 CO -0.46 0.44 -1.15 1.88 -1.00 0.00 0.00 179.01 178.73 1ygd h TYR 24 N 0.44 0.82 0.01 4.33 -1.99 0.25 -2.72 116.97 118.11 1ygd h TYR 24 Ca 0.10 -0.50 0.02 0.00 2.00 0.00 0.00 58.73 60.35 1ygd h TYR 24 Cb 0.23 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 1ygd h TYR 24 CO 0.01 1.35 -0.14 0.78 -0.00 0.00 0.00 178.16 180.15 1ygd h GLY 25 N 0.78 -0.19 0.83 3.88 0.00 -0.06 0.10 103.07 108.42 1ygd h GLY 25 Ca -0.15 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1ygd h GLY 25 CO 0.21 -0.14 0.66 0.00 0.00 0.00 0.00 176.54 177.27 1ygd h ALA 26 N 0.69 1.36 -0.51 3.60 0.00 -1.02 -0.91 119.26 122.46 1ygd h ALA 26 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ygd h ALA 26 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ygd h ALA 26 CO -0.13 0.53 0.14 1.49 0.00 0.00 0.00 179.25 181.28 1ygd h GLU 27 N 1.25 0.80 -0.20 0.00 4.81 -1.02 0.03 114.58 120.25 1ygd h GLU 27 Ca 0.41 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1ygd h GLU 27 Cb 0.05 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1ygd h GLU 27 CO -0.14 0.76 0.11 0.00 -0.73 0.00 0.00 179.01 179.01 1ygd h ALA 28 N 1.01 0.26 -0.53 2.92 0.00 -0.21 0.12 119.26 122.83 1ygd h ALA 28 Ca 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1ygd h ALA 28 Cb 0.31 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1ygd h ALA 28 CO -0.00 -0.20 0.20 -0.07 0.00 0.00 0.00 179.25 179.18 1ygd h LEU 29 N 0.22 0.20 0.15 0.00 3.38 -0.86 0.22 115.31 118.63 1ygd h LEU 29 Ca 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ygd h LEU 29 Cb 0.08 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ygd h LEU 29 CO -0.01 0.14 -0.07 -0.08 0.09 0.00 0.00 178.44 178.50 1ygd h GLU 30 N 0.38 -0.20 -0.99 1.13 4.81 -0.55 -1.29 114.58 117.87 1ygd h GLU 30 Ca 0.26 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.73 1ygd h GLU 30 Cb 0.28 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.59 1ygd h GLU 30 CO -0.26 -0.01 0.58 0.00 -0.73 0.00 0.00 179.01 178.59 1ygd h ARG 31 N -0.35 0.60 -0.03 1.92 3.08 -0.14 -1.59 114.38 117.87 1ygd h ARG 31 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ygd h ARG 31 Cb 0.28 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ygd h ARG 31 CO 0.03 0.40 -0.00 1.98 -1.07 0.00 0.00 179.97 181.31 1ygd h MET 32 N 0.62 0.05 -0.62 0.04 4.05 0.01 -1.18 114.93 117.91 1ygd h MET 32 Ca 0.62 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 60.03 1ygd h MET 32 Cb 1.10 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 1ygd h MET 32 CO -0.45 0.38 0.41 0.74 0.23 0.00 0.00 176.91 178.22 1ygd h PHE 33 N -0.28 0.76 0.17 1.39 0.04 -0.55 0.33 116.94 118.80 1ygd h PHE 33 Ca 0.01 0.02 -0.31 0.00 2.80 0.00 0.00 57.97 60.49 1ygd h PHE 33 Cb 0.36 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.27 1ygd h PHE 33 CO 0.04 0.47 -1.40 -0.07 -0.60 0.00 0.00 178.31 176.75 1ygd h LEU 34 N 0.81 0.57 0.14 1.54 3.38 -1.29 -3.31 115.31 117.16 1ygd h LEU 34 Ca 0.23 -0.65 -0.31 0.00 0.09 0.00 0.00 57.88 57.24 1ygd h LEU 34 Cb -0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1ygd h LEU 34 CO -0.06 1.52 -1.52 0.28 0.09 0.00 0.00 178.44 178.75 1ygd h SER 35 N 0.10 0.48 -2.75 -0.43 0.02 -0.92 -3.41 113.55 106.64 1ygd h SER 35 Ca -0.21 -0.62 -0.61 0.00 -0.84 0.00 0.00 61.79 59.52 1ygd h SER 35 Cb 2.05 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 64.04 1ygd h SER 35 CO 0.22 1.51 -0.77 -0.36 -1.14 0.00 0.00 176.83 176.29 1ygd s PHE 36 N -2.62 2.32 0.36 3.45 0.08 0.11 -5.00 117.98 116.70 1ygd s PHE 36 Ca -0.09 -2.82 0.06 0.00 0.12 0.00 0.00 56.93 54.20 1ygd s PHE 36 Cb 0.06 -1.81 0.75 0.00 -0.57 0.00 0.00 43.02 41.45 1ygd s PHE 36 CO 0.87 -0.69 1.95 -1.35 -0.10 0.00 0.00 175.22 175.90 1ygd h PRO 37 N 5.55 0.72 -0.56 0.24 0.11 -1.74 -1.58 132.00 134.74 1ygd h PRO 37 Ca 0.20 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.43 1ygd h PRO 37 Cb 0.83 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1ygd h PRO 37 CO 0.54 0.48 0.58 1.79 -0.21 0.00 0.00 178.00 181.18 1ygd h THR 38 N 0.74 0.33 0.00 -1.15 1.35 -1.93 0.46 112.91 112.71 1ygd h THR 38 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 1ygd h THR 38 Cb 0.30 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1ygd h THR 38 CO -0.11 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.51 1ygd n THR 39 N -3.69 0.18 0.23 6.82 -2.24 -0.60 -2.27 114.28 112.71 1ygd n THR 39 Ca 0.11 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1ygd n THR 39 Cb 0.79 -0.71 0.28 0.00 -2.10 0.00 0.00 70.33 68.59 1ygd n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ygd h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -0.27 -3.18 116.57 113.91 1ygd h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ygd h LYS 40 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1ygd h LYS 40 CO 0.00 0.05 0.00 1.79 -0.57 0.00 0.00 179.45 180.72 1ygd h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.64 0.15 112.91 112.61 1ygd h THR 41 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1ygd h THR 41 Cb 0.92 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1ygd h THR 41 CO 0.01 0.00 -0.28 -1.22 -0.25 0.00 0.00 175.52 173.77 1ygd n TYR 42 N -2.88 0.03 -2.45 4.73 4.01 -1.20 -4.23 117.16 115.17 1ygd n TYR 42 Ca -0.03 0.01 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 1ygd n TYR 42 Cb 0.07 -0.38 0.01 0.00 -0.31 0.00 0.00 39.34 38.73 1ygd n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ygd n PHE 43 N -1.53 2.76 0.45 -0.72 3.01 0.51 -4.84 117.46 117.10 1ygd n PHE 43 Ca 0.06 -2.85 0.06 0.00 1.01 0.00 0.00 57.45 55.73 1ygd n PHE 43 Cb 0.34 -0.19 0.27 0.00 -0.01 0.00 0.00 39.48 39.89 1ygd n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1ygd n PRO 44 N -0.45 0.02 -0.18 -1.08 -0.04 -1.23 -1.49 135.00 130.55 1ygd n PRO 44 Ca 0.33 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 1ygd n PRO 44 Cb 0.75 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.94 1ygd n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ygd n HIS 45 N -1.48 0.46 -4.20 0.54 1.44 -1.26 -4.96 115.22 105.77 1ygd n HIS 45 Ca 0.03 -0.23 -0.34 0.00 -2.01 0.00 0.00 57.72 55.17 1ygd n HIS 45 Cb 0.14 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.17 1ygd n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1ygd s PHE 46 N -1.54 3.24 -0.26 -1.40 0.40 -0.56 -5.06 117.98 112.81 1ygd s PHE 46 Ca 0.38 0.21 -0.29 0.00 -0.60 0.00 0.00 56.93 56.63 1ygd s PHE 46 Cb 0.22 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1ygd s PHE 46 CO 0.31 0.53 1.34 0.34 0.70 0.00 0.00 175.22 178.44 1ygd s ASP 47 N -1.37 6.68 0.00 1.36 -1.08 -1.26 -4.87 116.67 116.13 1ygd s ASP 47 Ca 0.18 1.36 0.23 0.00 -0.52 0.00 0.00 52.55 53.80 1ygd s ASP 47 Cb -0.12 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.23 1ygd s ASP 47 CO 0.09 -1.05 1.40 0.18 0.52 0.00 0.00 175.17 176.30 1ygd n LEU 48 N 7.56 3.48 -4.55 -1.34 4.77 -1.26 -4.46 117.00 121.19 1ygd n LEU 48 Ca 0.15 -1.53 -0.30 0.00 -0.03 0.00 0.00 56.01 54.30 1ygd n LEU 48 Cb 0.46 -0.26 0.20 0.00 -2.33 0.00 0.00 43.42 41.49 1ygd n LEU 48 CO 0.62 0.75 0.48 -1.54 -1.33 0.00 0.00 177.39 176.37 1ygd n SER 49 N 1.48 -0.81 -4.64 -1.43 3.41 -1.26 -4.84 113.62 105.53 1ygd n SER 49 Ca 0.19 0.16 -0.48 0.00 -0.26 0.00 0.00 58.87 58.48 1ygd n SER 49 Cb 0.60 -1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.16 1ygd n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ygd n HIS 50 N -4.50 2.01 -3.46 7.33 -0.00 -1.26 -3.42 115.22 111.93 1ygd n HIS 50 Ca 0.07 0.39 -0.27 0.00 0.46 0.00 0.00 57.72 58.37 1ygd n HIS 50 Cb 0.53 -2.48 0.01 0.00 -0.12 0.00 0.00 29.99 27.94 1ygd n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ygd n GLY 51 N 3.17 -0.60 3.60 1.57 0.00 -1.26 -4.96 105.19 106.71 1ygd n GLY 51 Ca 0.18 0.74 -0.25 0.00 0.00 0.00 0.00 46.02 46.69 1ygd n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ygd s SER 52 N -2.19 4.33 0.36 1.61 1.04 -1.22 -5.00 113.70 112.62 1ygd s SER 52 Ca 0.14 -0.66 0.16 0.00 0.48 0.00 0.00 55.95 56.08 1ygd s SER 52 Cb -0.01 -0.74 1.07 0.00 0.10 0.00 0.00 66.02 66.43 1ygd s SER 52 CO 0.78 0.05 1.70 0.00 0.98 0.00 0.00 173.24 176.75 1ygd h ALA 53 N 2.33 2.06 -0.03 5.32 0.00 -1.93 -1.81 119.26 125.21 1ygd h ALA 53 Ca -0.45 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ygd h ALA 53 Cb 1.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ygd h ALA 53 CO 0.58 -0.59 -0.07 1.96 0.00 0.00 0.00 179.25 181.13 1ygd h GLN 54 N 0.39 0.10 -0.72 0.00 4.20 -1.96 -2.02 115.11 115.10 1ygd h GLN 54 Ca 0.68 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.38 1ygd h GLN 54 Cb 1.60 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.34 1ygd h GLN 54 CO -0.47 0.66 0.44 0.28 -0.67 0.00 0.00 178.83 179.06 1ygd h VAL 55 N -0.44 1.04 0.67 -0.54 2.07 -1.64 -1.32 116.25 116.08 1ygd h VAL 55 Ca 0.00 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1ygd h VAL 55 Cb 0.66 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1ygd h VAL 55 CO 0.01 0.15 -0.44 0.11 0.02 0.00 0.00 177.57 177.42 1ygd h LYS 56 N 0.82 -1.01 -0.70 1.57 1.57 -1.31 0.22 116.57 117.73 1ygd h LYS 56 Ca 0.31 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.19 1ygd h LYS 56 Cb 0.11 0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1ygd h LYS 56 CO -0.15 -0.68 0.46 0.78 -0.57 0.00 0.00 179.45 179.30 1ygd h GLY 57 N -1.05 0.95 1.05 3.86 0.00 -1.30 -0.89 103.07 105.69 1ygd h GLY 57 Ca -0.09 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 1ygd h GLY 57 CO 0.07 0.28 -0.29 0.84 0.00 0.00 0.00 176.54 177.44 1ygd h HIS 58 N 0.83 1.01 0.00 5.60 -0.00 -1.04 -1.37 115.15 120.17 1ygd h HIS 58 Ca 0.28 -0.28 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1ygd h HIS 58 Cb 0.09 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.27 1ygd h HIS 58 CO -0.00 1.07 -0.11 0.78 -0.00 0.00 0.00 177.93 179.67 1ygd h GLY 59 N 0.65 0.00 1.81 5.26 0.00 0.20 -0.67 103.07 110.33 1ygd h GLY 59 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1ygd h GLY 59 CO 0.08 0.00 -0.89 1.70 0.00 0.00 0.00 176.54 177.42 1ygd h LYS 60 N 0.00 0.16 0.02 4.80 3.64 -0.43 -1.54 116.57 123.23 1ygd h LYS 60 Ca -0.00 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ygd h LYS 60 Cb 0.27 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1ygd h LYS 60 CO 0.01 0.95 -0.01 0.87 -2.27 0.00 0.00 179.45 179.00 1ygd h LYS 61 N 0.09 -0.03 -0.56 1.90 1.57 -0.16 -1.76 116.57 117.61 1ygd h LYS 61 Ca -0.04 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1ygd h LYS 61 Cb 1.53 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.79 1ygd h LYS 61 CO 0.13 0.53 0.22 0.28 -0.57 0.00 0.00 179.45 180.04 1ygd h VAL 62 N -0.61 0.83 -0.47 0.50 2.07 -1.22 -0.30 116.25 117.05 1ygd h VAL 62 Ca -0.00 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1ygd h VAL 62 Cb 0.57 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1ygd h VAL 62 CO 0.01 0.08 0.20 0.00 0.02 0.00 0.00 177.57 177.88 1ygd h ALA 63 N 1.36 0.59 -0.04 1.67 0.00 -1.25 -1.87 119.26 119.72 1ygd h ALA 63 Ca 0.27 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1ygd h ALA 63 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ygd h ALA 63 CO -0.26 -0.17 -0.39 -0.44 0.00 0.00 0.00 179.25 178.00 1ygd h ASP 64 N 0.41 0.08 0.18 0.00 5.19 -0.31 -0.92 116.42 121.05 1ygd h ASP 64 Ca 0.21 -0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.49 1ygd h ASP 64 Cb 0.17 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1ygd h ASP 64 CO -0.19 0.46 -0.39 0.00 -3.12 0.00 0.00 179.24 176.00 1ygd h ALA 65 N 1.54 1.09 -0.01 3.45 0.00 -0.60 -1.52 119.26 123.21 1ygd h ALA 65 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ygd h ALA 65 Cb 0.72 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ygd h ALA 65 CO 0.05 0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 179.81 1ygd h LEU 66 N 0.24 0.03 -0.56 0.00 3.38 -0.55 -1.53 115.31 116.32 1ygd h LEU 66 Ca 0.02 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.63 1ygd h LEU 66 Cb 0.80 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 1ygd h LEU 66 CO 0.06 0.48 -0.37 0.74 0.09 0.00 0.00 178.44 179.44 1ygd h THR 67 N -0.42 0.14 -0.12 0.22 2.02 -1.05 0.26 112.91 113.97 1ygd h THR 67 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.22 1ygd h THR 67 Cb 0.47 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1ygd h THR 67 CO 0.00 0.00 0.11 -1.13 0.37 0.00 0.00 175.52 174.87 1ygd h ASN 68 N -0.20 0.00 0.12 4.18 -1.24 -1.17 -1.36 115.58 115.91 1ygd h ASN 68 Ca 0.20 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.96 1ygd h ASN 68 Cb 0.56 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.63 1ygd h ASN 68 CO -0.66 0.00 -1.05 0.00 -1.29 0.00 0.00 177.43 174.42 1ygd h ALA 69 N 1.89 -0.03 0.74 1.57 0.00 0.49 -2.85 119.26 121.08 1ygd h ALA 69 Ca 0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1ygd h ALA 69 Cb 0.27 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ygd h ALA 69 CO -0.00 0.55 -0.43 0.28 0.00 0.00 0.00 179.25 179.66 1ygd h VAL 70 N 0.05 0.14 -0.17 0.00 2.07 -0.28 0.36 116.25 118.43 1ygd h VAL 70 Ca -0.16 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1ygd h VAL 70 Cb 1.77 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1ygd h VAL 70 CO 0.20 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.39 1ygd h ALA 71 N -0.90 1.79 0.00 1.67 0.00 -1.37 0.63 119.26 121.07 1ygd h ALA 71 Ca -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ygd h ALA 71 Cb 0.87 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1ygd h ALA 71 CO 0.12 -0.69 -0.55 0.72 0.00 0.00 0.00 179.25 178.85 1ygd n HIS 72 N -2.97 0.00 -0.37 0.00 8.25 -0.70 -4.86 115.22 114.57 1ygd n HIS 72 Ca 0.02 -1.19 0.31 0.00 -0.26 0.00 0.00 57.72 56.60 1ygd n HIS 72 Cb 0.68 -0.21 0.57 0.00 1.12 0.00 0.00 29.99 32.15 1ygd n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ygd h VAL 73 N 2.29 0.14 0.00 1.59 3.04 0.44 0.59 116.25 124.35 1ygd h VAL 73 Ca -0.05 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1ygd h VAL 73 Cb 1.19 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1ygd h VAL 73 CO 0.02 0.02 0.00 0.47 -1.01 0.00 0.00 177.57 177.07 1ygd n ASP 74 N -5.00 0.00 -2.13 3.17 8.00 -1.26 -3.92 116.55 115.42 1ygd n ASP 74 Ca 0.36 -1.41 -0.02 0.00 0.71 0.00 0.00 54.79 54.42 1ygd n ASP 74 Cb 1.24 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 42.39 1ygd n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ygd n ASP 75 N -0.79 -0.41 -0.29 -2.24 2.03 0.20 -5.00 116.55 110.05 1ygd n ASP 75 Ca 0.14 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.36 1ygd n ASP 75 Cb 0.06 0.22 0.13 0.00 -0.72 0.00 0.00 41.12 40.82 1ygd n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1ygd h MET 76 N 1.07 0.86 -0.93 -0.67 2.86 -1.60 -2.04 114.93 114.49 1ygd h MET 76 Ca -0.39 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.23 1ygd h MET 76 Cb 1.40 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.81 1ygd h MET 76 CO -0.10 0.57 0.61 -1.35 1.06 0.00 0.00 176.91 177.69 1ygd h PRO 77 N 0.88 1.16 0.08 -0.22 0.11 -1.94 0.45 132.00 132.52 1ygd h PRO 77 Ca 0.35 -0.07 -0.27 0.00 0.11 0.00 0.00 66.00 66.12 1ygd h PRO 77 Cb 0.18 -0.26 0.02 0.00 0.11 0.00 0.00 31.00 31.05 1ygd h PRO 77 CO -0.18 0.77 -1.14 -0.91 -0.21 0.00 0.00 178.00 176.33 1ygd h ASN 78 N 1.19 0.67 0.97 -2.05 -0.26 -1.86 -2.53 115.58 111.72 1ygd h ASN 78 Ca 0.36 -0.61 -0.12 0.00 -0.56 0.00 0.00 56.30 55.37 1ygd h ASN 78 Cb -0.04 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 1ygd h ASN 78 CO -0.10 1.43 -0.57 0.00 -1.06 0.00 0.00 177.43 177.13 1ygd h ALA 79 N 0.50 0.80 -0.72 -0.83 0.00 -1.09 -2.98 119.26 114.95 1ygd h ALA 79 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ygd h ALA 79 Cb 1.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ygd h ALA 79 CO 0.21 0.71 0.00 1.28 0.00 0.00 0.00 179.25 181.44 1ygd n LEU 80 N -3.48 4.01 -0.33 0.00 4.77 0.12 -4.68 117.00 117.42 1ygd n LEU 80 Ca 0.00 -2.04 0.05 0.00 -0.03 0.00 0.00 56.01 53.99 1ygd n LEU 80 Cb 0.66 -0.49 0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1ygd n LEU 80 CO 0.41 0.97 0.59 -1.54 -1.33 0.00 0.00 177.39 176.49 1ygd n SER 81 N 1.58 -0.35 0.03 -1.43 3.41 -0.95 -1.92 113.62 113.99 1ygd n SER 81 Ca 0.24 1.56 -0.13 0.00 -0.26 0.00 0.00 58.87 60.29 1ygd n SER 81 Cb 0.64 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1ygd n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ygd h ALA 82 N 1.77 -0.09 -0.24 7.33 0.00 -1.86 -2.29 119.26 123.88 1ygd h ALA 82 Ca 0.43 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1ygd h ALA 82 Cb 0.65 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ygd h ALA 82 CO -0.93 -0.34 0.18 -0.07 0.00 0.00 0.00 179.25 178.09 1ygd h LEU 83 N -0.52 0.00 -0.13 0.00 3.38 -1.76 0.11 115.31 116.40 1ygd h LEU 83 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1ygd h LEU 83 Cb 0.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ygd h LEU 83 CO 0.02 0.00 -0.67 -1.28 0.09 0.00 0.00 178.44 176.60 1ygd h SER 84 N 0.00 0.80 -0.51 -0.43 0.87 -1.22 -0.39 113.55 112.67 1ygd h SER 84 Ca 0.11 -0.64 -0.06 0.00 -1.23 0.00 0.00 61.79 59.98 1ygd h SER 84 Cb 0.48 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1ygd h SER 84 CO -0.00 1.32 0.12 0.44 -0.53 0.00 0.00 176.83 178.18 1ygd h ASP 85 N 0.35 0.82 -0.00 6.23 3.32 -0.58 -2.13 116.42 124.43 1ygd h ASP 85 Ca -0.05 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1ygd h ASP 85 Cb 1.31 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1ygd h ASP 85 CO 0.14 0.81 -0.00 0.25 -1.72 0.00 0.00 179.24 178.72 1ygd h LEU 86 N 0.84 0.00 -1.27 1.55 5.85 -0.64 -0.01 115.31 121.63 1ygd h LEU 86 Ca 0.18 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1ygd h LEU 86 Cb 0.33 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1ygd h LEU 86 CO 0.00 0.38 -0.29 0.45 -0.34 0.00 0.00 178.44 178.64 1ygd h HIS 87 N -0.38 0.00 0.14 1.25 3.86 -1.09 -0.09 115.15 118.84 1ygd h HIS 87 Ca 0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 1ygd h HIS 87 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1ygd h HIS 87 CO 0.06 0.29 -1.79 0.00 0.86 0.00 0.00 177.93 177.34 1ygd h ALA 88 N 1.71 0.33 0.00 2.45 0.00 -1.29 0.40 119.26 122.86 1ygd h ALA 88 Ca -0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 54.91 53.64 1ygd h ALA 88 Cb 0.69 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ygd h ALA 88 CO 0.04 1.20 -1.80 0.72 0.00 0.00 0.00 179.25 179.40 1ygd n HIS 89 N -3.48 0.00 -0.02 0.00 8.25 -0.03 -4.49 115.22 115.46 1ygd n HIS 89 Ca -0.25 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.18 1ygd n HIS 89 Cb 1.06 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 1ygd n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ygd n LYS 90 N -2.12 0.07 0.04 -0.41 4.81 -0.87 -4.82 118.16 114.86 1ygd n LYS 90 Ca -0.04 0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.23 1ygd n LYS 90 Cb 0.47 -0.61 -0.13 0.00 0.02 0.00 0.00 35.03 34.79 1ygd n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1ygd h LEU 91 N -0.11 0.62 -1.48 3.14 3.38 -1.15 -3.48 115.31 116.22 1ygd h LEU 91 Ca -0.08 -0.84 -0.42 0.00 0.09 0.00 0.00 57.88 56.63 1ygd h LEU 91 Cb 1.07 -0.19 0.05 0.00 0.09 0.00 0.00 40.66 41.67 1ygd h LEU 91 CO -0.05 1.39 -0.79 0.54 0.09 0.00 0.00 178.44 179.62 1ygd n ARG 92 N -4.07 -5.53 -2.53 1.13 1.74 0.14 -4.93 116.66 102.61 1ygd n ARG 92 Ca -0.12 0.66 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1ygd n ARG 92 Cb 0.81 -5.40 -0.03 0.00 -1.02 0.00 0.00 32.46 26.82 1ygd n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ygd s VAL 93 N -3.51 4.37 0.15 1.55 1.01 -1.22 -4.98 120.40 117.76 1ygd s VAL 93 Ca 0.22 1.70 -0.31 0.00 0.00 0.00 0.00 61.98 63.58 1ygd s VAL 93 Cb -0.11 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 1ygd s VAL 93 CO 0.80 0.12 1.65 -0.62 0.00 0.00 0.00 175.10 177.04 1ygd s ASP 94 N 1.08 6.53 0.33 3.32 -1.08 -1.26 -4.87 116.67 120.71 1ygd s ASP 94 Ca 0.56 2.65 0.08 0.00 -0.52 0.00 0.00 52.55 55.32 1ygd s ASP 94 Cb -0.26 -2.59 0.94 0.00 -1.46 0.00 0.00 42.92 39.56 1ygd s ASP 94 CO 0.28 -0.89 1.57 -0.65 0.52 0.00 0.00 175.17 176.01 1ygd h PRO 95 N 7.33 0.01 -0.97 4.34 0.11 -2.00 -0.41 132.00 140.42 1ygd h PRO 95 Ca -0.43 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.99 1ygd h PRO 95 Cb 1.20 -0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 1ygd h PRO 95 CO 0.93 0.01 0.37 0.28 -0.21 0.00 0.00 178.00 179.38 1ygd h VAL 96 N 0.01 0.18 0.00 3.15 2.07 -2.03 0.45 116.25 120.07 1ygd h VAL 96 Ca 0.68 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 68.15 1ygd h VAL 96 Cb 1.55 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1ygd h VAL 96 CO -0.88 0.03 -0.00 0.78 0.02 0.00 0.00 177.57 177.52 1ygd h ASN 97 N 0.15 0.00 0.02 0.57 -0.26 -1.43 -2.02 115.58 112.62 1ygd h ASN 97 Ca 0.69 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 56.34 1ygd h ASN 97 Cb 1.58 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.83 1ygd h ASN 97 CO -0.72 0.00 -0.27 -0.26 -1.06 0.00 0.00 177.43 175.12 1ygd h PHE 98 N 0.00 0.44 -0.31 1.19 -1.00 -0.26 -2.85 116.94 114.16 1ygd h PHE 98 Ca -0.00 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.58 1ygd h PHE 98 Cb 0.01 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 1ygd h PHE 98 CO 0.00 0.63 -0.27 0.87 -1.61 0.00 0.00 178.31 177.94 1ygd h LYS 99 N 0.35 0.62 -0.42 1.51 1.57 -1.46 -2.54 116.57 116.19 1ygd h LYS 99 Ca 0.05 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1ygd h LYS 99 Cb 0.66 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1ygd h LYS 99 CO 0.05 0.82 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.64 1ygd h LEU 100 N 0.54 0.68 -0.11 2.94 3.38 -1.56 -0.42 115.31 120.77 1ygd h LEU 100 Ca 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1ygd h LEU 100 Cb 0.74 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ygd h LEU 100 CO 0.06 0.78 -0.10 0.25 0.09 0.00 0.00 178.44 179.52 1ygd h LEU 101 N 0.66 0.27 -0.35 1.67 5.85 -1.39 -2.47 115.31 119.55 1ygd h LEU 101 Ca 0.13 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1ygd h LEU 101 Cb 0.48 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1ygd h LEU 101 CO 0.02 0.69 -0.03 0.28 -0.34 0.00 0.00 178.44 179.07 1ygd h SER 102 N -0.15 -0.21 -0.93 1.25 0.02 -1.14 0.28 113.55 112.67 1ygd h SER 102 Ca 0.02 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1ygd h SER 102 Cb 0.62 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 1ygd h SER 102 CO 0.03 -0.07 0.62 -0.74 -1.14 0.00 0.00 176.83 175.53 1ygd h HIS 103 N 0.06 1.16 -0.30 3.45 -0.00 -1.15 0.84 115.15 119.21 1ygd h HIS 103 Ca 0.17 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1ygd h HIS 103 Cb 0.24 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 1ygd h HIS 103 CO -0.27 0.71 -0.01 0.00 -0.00 0.00 0.00 177.93 178.36 1ygd h LEU 105 N 0.32 -0.70 -0.35 0.00 -0.00 -0.06 0.17 115.31 114.70 1ygd h LEU 105 Ca 0.08 0.11 0.08 0.00 -0.00 0.00 0.00 57.88 58.15 1ygd h LEU 105 Cb 0.45 0.31 -0.08 0.00 -0.00 0.00 0.00 40.66 41.34 1ygd h LEU 105 CO 0.02 -0.29 -0.27 -0.07 -0.00 0.00 0.00 178.44 177.83 1ygd h LEU 106 N -0.31 -0.89 0.00 1.67 3.38 -0.55 0.52 115.31 119.13 1ygd h LEU 106 Ca 0.09 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1ygd h LEU 106 Cb 0.44 0.43 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1ygd h LEU 106 CO -0.27 -0.29 -0.27 0.58 0.09 0.00 0.00 178.44 178.28 1ygd h VAL 107 N -0.22 0.39 -0.13 1.22 2.07 -0.57 0.43 116.25 119.44 1ygd h VAL 107 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 1ygd h VAL 107 Cb 0.49 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1ygd h VAL 107 CO -0.48 0.00 -0.45 0.74 0.02 0.00 0.00 177.57 177.40 1ygd h THR 108 N -0.41 0.10 -0.13 2.57 2.02 0.91 0.89 112.91 118.86 1ygd h THR 108 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 1ygd h THR 108 Cb 0.50 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1ygd h THR 108 CO -0.23 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 175.32 1ygd h LEU 109 N -0.52 -0.82 -1.79 2.58 3.38 0.38 -1.35 115.31 117.16 1ygd h LEU 109 Ca 0.06 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.31 1ygd h LEU 109 Cb 0.65 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1ygd h LEU 109 CO -0.41 -0.31 0.44 0.00 0.09 0.00 0.00 178.44 178.25 1ygd h ALA 110 N 0.58 2.31 0.00 1.53 0.00 0.11 0.21 119.26 124.00 1ygd h ALA 110 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ygd h ALA 110 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ygd h ALA 110 CO -0.32 -0.49 -0.27 0.00 0.00 0.00 0.00 179.25 178.17 1ygd h ALA 111 N 1.69 0.85 0.00 0.00 0.00 0.21 -3.36 119.26 118.64 1ygd h ALA 111 Ca 0.31 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 1ygd h ALA 111 Cb 0.93 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1ygd h ALA 111 CO -0.06 0.25 -2.14 0.72 0.00 0.00 0.00 179.25 178.02 1ygd n HIS 112 N -3.12 0.00 -3.61 0.00 -0.00 0.49 -4.74 115.22 104.25 1ygd n HIS 112 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.45 1ygd n HIS 112 Cb 0.61 -0.81 -0.09 0.00 -0.00 0.00 0.00 29.99 29.71 1ygd n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ygd n LEU 113 N -2.59 3.78 0.05 2.41 4.77 0.17 -4.94 117.00 120.64 1ygd n LEU 113 Ca -0.26 -5.29 -0.11 0.00 -0.03 0.00 0.00 56.01 50.32 1ygd n LEU 113 Cb 1.01 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1ygd n LEU 113 CO 0.36 1.83 0.78 -0.65 -1.33 0.00 0.00 177.39 178.38 1ygd h PRO 114 N 5.04 -0.22 0.00 3.23 0.11 -1.83 -2.20 132.00 136.14 1ygd h PRO 114 Ca 0.17 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1ygd h PRO 114 Cb 0.72 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1ygd h PRO 114 CO 0.83 -0.14 -0.04 0.00 -0.21 0.00 0.00 178.00 178.44 1ygd h ALA 115 N 0.73 1.06 0.00 -0.75 0.00 -1.94 -3.09 119.26 115.26 1ygd h ALA 115 Ca 0.04 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1ygd h ALA 115 Cb 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1ygd h ALA 115 CO -0.13 0.04 -2.01 0.39 0.00 0.00 0.00 179.25 177.55 1ygd n GLU 116 N -3.21 0.66 -0.68 0.00 4.71 -1.05 -4.57 120.64 116.50 1ygd n GLU 116 Ca -0.01 0.01 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 1ygd n GLU 116 Cb 0.23 -1.60 -0.06 0.00 -1.01 0.00 0.00 31.44 29.00 1ygd n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ygd n PHE 117 N -2.67 0.70 -1.57 -0.32 7.35 -0.85 -4.70 117.46 115.40 1ygd n PHE 117 Ca -0.19 -1.45 -0.31 0.00 -0.76 0.00 0.00 57.45 54.75 1ygd n PHE 117 Cb 0.92 -1.41 0.05 0.00 0.35 0.00 0.00 39.48 39.39 1ygd n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ygd s THR 118 N 2.57 3.94 0.58 -2.13 -4.23 -1.26 -4.69 115.64 110.41 1ygd s THR 118 Ca 0.40 0.65 0.28 0.00 -1.18 0.00 0.00 61.69 61.85 1ygd s THR 118 Cb 0.15 -3.35 0.38 0.00 1.34 0.00 0.00 72.50 71.02 1ygd s THR 118 CO -0.02 -0.80 1.95 -0.65 -0.54 0.00 0.00 174.62 174.57 1ygd h PRO 119 N -0.67 0.00 0.16 3.99 0.11 -1.99 0.29 132.00 133.89 1ygd h PRO 119 Ca -0.44 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.37 1ygd h PRO 119 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 1ygd h PRO 119 CO 0.56 0.00 -1.43 0.00 -0.21 0.00 0.00 178.00 176.92 1ygd h ALA 120 N 1.57 0.10 -0.04 -0.75 0.00 -1.94 -2.89 119.26 115.32 1ygd h ALA 120 Ca 0.20 -0.97 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 1ygd h ALA 120 Cb 1.04 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ygd h ALA 120 CO -0.00 0.97 -0.28 0.28 0.00 0.00 0.00 179.25 180.21 1ygd h VAL 121 N 0.09 1.47 -0.67 0.00 2.07 -1.61 -2.07 116.25 115.53 1ygd h VAL 121 Ca -0.21 -1.78 0.10 0.00 0.82 0.00 0.00 66.70 65.62 1ygd h VAL 121 Cb 2.04 2.49 -0.11 0.00 -1.52 0.00 0.00 31.29 34.18 1ygd h VAL 121 CO 0.20 0.50 -0.43 -0.74 0.02 0.00 0.00 177.57 177.12 1ygd h HIS 122 N -0.30 -1.28 0.14 1.57 6.17 -0.58 0.40 115.15 121.27 1ygd h HIS 122 Ca -0.02 0.09 0.01 0.00 0.71 0.00 0.00 60.37 61.15 1ygd h HIS 122 Cb 0.97 0.65 -0.03 0.00 2.52 0.00 0.00 27.41 31.52 1ygd h HIS 122 CO 0.15 -0.41 -0.39 0.00 0.71 0.00 0.00 177.93 177.99 1ygd h ALA 123 N 0.73 -0.91 -0.53 5.26 0.00 -1.46 -0.21 119.26 122.14 1ygd h ALA 123 Ca 0.20 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1ygd h ALA 123 Cb 0.56 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1ygd h ALA 123 CO -0.75 -1.00 0.02 0.77 0.00 0.00 0.00 179.25 178.30 1ygd h SER 124 N -0.59 -0.19 -0.74 0.00 0.02 -0.76 0.65 113.55 111.94 1ygd h SER 124 Ca -0.01 0.12 0.12 0.00 -0.84 0.00 0.00 61.79 61.18 1ygd h SER 124 Cb 0.57 0.21 -0.09 0.00 0.14 0.00 0.00 62.40 63.24 1ygd h SER 124 CO -0.18 -0.07 0.32 -0.07 -1.14 0.00 0.00 176.83 175.70 1ygd h LEU 125 N 0.14 0.35 0.10 5.07 3.38 0.21 0.34 115.31 124.91 1ygd h LEU 125 Ca 0.27 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1ygd h LEU 125 Cb 0.42 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ygd h LEU 125 CO -0.43 0.16 -0.05 -0.78 0.09 0.00 0.00 178.44 177.43 1ygd h ASP 126 N 0.51 -0.13 -0.30 -0.43 3.58 0.93 -1.45 116.42 119.12 1ygd h ASP 126 Ca 0.39 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.82 1ygd h ASP 126 Cb 0.53 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1ygd h ASP 126 CO -0.35 -0.09 0.12 0.11 -2.88 0.00 0.00 179.24 176.15 1ygd h LYS 127 N -0.14 0.52 0.83 0.28 1.57 -0.27 -1.27 116.57 118.09 1ygd h LYS 127 Ca -0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1ygd h LYS 127 Cb 0.11 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ygd h LYS 127 CO 0.02 0.46 -0.40 0.35 -0.57 0.00 0.00 179.45 179.32 1ygd h PHE 128 N 0.52 -1.03 -0.41 -1.35 3.57 0.10 -2.05 116.94 116.29 1ygd h PHE 128 Ca 0.13 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1ygd h PHE 128 Cb 0.16 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1ygd h PHE 128 CO 0.01 -0.63 0.08 -0.07 -2.23 0.00 0.00 178.31 175.46 1ygd h LEU 129 N -1.14 0.57 -1.32 0.59 3.38 -1.10 -1.34 115.31 114.95 1ygd h LEU 129 Ca -0.11 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1ygd h LEU 129 Cb 0.85 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1ygd h LEU 129 CO 0.19 0.58 0.46 0.00 0.09 0.00 0.00 178.44 179.76 1ygd h ALA 130 N 1.49 1.51 -0.20 1.53 0.00 -1.15 0.19 119.26 122.63 1ygd h ALA 130 Ca 0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1ygd h ALA 130 Cb 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ygd h ALA 130 CO 0.00 0.46 -0.40 0.77 0.00 0.00 0.00 179.25 180.08 1ygd h SER 131 N 0.94 0.70 0.15 0.00 0.02 -0.53 -2.40 113.55 112.42 1ygd h SER 131 Ca 0.25 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1ygd h SER 131 Cb -0.11 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 1ygd h SER 131 CO -0.06 1.12 -0.04 0.58 -1.14 0.00 0.00 176.83 177.30 1ygd h VAL 132 N 0.30 0.41 -0.05 2.27 2.07 -0.75 -1.22 116.25 119.29 1ygd h VAL 132 Ca 0.01 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1ygd h VAL 132 Cb 1.00 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1ygd h VAL 132 CO 0.09 0.03 -0.45 0.28 0.02 0.00 0.00 177.57 177.55 1ygd h SER 133 N 0.00 0.48 -0.52 0.57 0.02 -0.71 -2.67 113.55 110.72 1ygd h SER 133 Ca -0.00 -0.70 -0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1ygd h SER 133 Cb 0.12 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1ygd h SER 133 CO 0.00 1.10 0.30 0.74 -1.14 0.00 0.00 176.83 177.84 1ygd h THR 134 N -0.11 1.16 -0.58 -2.27 2.02 -0.77 -1.84 112.91 110.52 1ygd h THR 134 Ca -0.04 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1ygd h THR 134 Cb 1.13 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1ygd h THR 134 CO 0.09 0.17 0.38 0.58 0.37 0.00 0.00 175.52 177.11 1ygd h VAL 135 N 0.69 1.15 0.00 3.16 2.07 -1.35 0.50 116.25 122.47 1ygd h VAL 135 Ca 0.18 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ygd h VAL 135 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1ygd h VAL 135 CO -0.03 0.14 -0.01 0.18 0.02 0.00 0.00 177.57 177.87 1ygd n LEU 136 N -4.45 0.28 -0.08 2.57 4.77 -0.81 -3.40 117.00 115.88 1ygd n LEU 136 Ca 0.06 0.52 0.01 0.00 -0.03 0.00 0.00 56.01 56.57 1ygd n LEU 136 Cb 0.04 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1ygd n LEU 136 CO 0.36 -0.06 0.32 0.35 -1.33 0.00 0.00 177.39 177.02 1ygd n THR 137 N -1.76 0.15 0.26 -5.08 -2.24 -0.55 -4.35 114.28 100.72 1ygd n THR 137 Ca 0.06 -0.57 0.17 0.00 -2.27 0.00 0.00 64.05 61.44 1ygd n THR 137 Cb 0.37 0.96 0.86 0.00 -2.10 0.00 0.00 70.33 70.42 1ygd n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ygd h SER 138 N 0.36 0.00 -0.76 3.42 4.64 -0.07 -2.57 113.55 118.57 1ygd h SER 138 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1ygd h SER 138 Cb 0.15 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.83 1ygd h SER 138 CO 0.00 0.00 -0.62 0.29 -0.87 0.00 0.00 176.83 175.63 1ygd n LYS 139 N -2.66 3.46 0.07 4.77 5.02 -1.26 -4.73 118.16 122.84 1ygd n LYS 139 Ca -0.02 -4.05 -0.17 0.00 -2.02 0.00 0.00 58.31 52.05 1ygd n LYS 139 Cb 0.08 -2.27 -0.08 0.00 -0.02 0.00 0.00 35.03 32.74 1ygd n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1ygd h TYR 140 N 2.13 0.80 0.00 2.13 -1.99 -1.76 -3.43 116.97 114.85 1ygd h TYR 140 Ca 0.39 -0.46 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1ygd h TYR 140 Cb 1.45 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1ygd h TYR 140 CO 0.92 1.30 0.00 2.89 -0.00 0.00 0.00 178.16 183.26