#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 4.59 0.29 7.52 1.43 -1.26 -5.06 118.68 126.20 1ygd s LEU 2 Ca 0.00 1.91 0.06 0.00 -1.03 0.00 0.00 54.13 55.07 1ygd s LEU 2 Cb 0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1ygd s LEU 2 CO 0.00 0.07 0.36 -0.94 0.23 0.00 0.00 176.35 176.07 1ygd s SER 3 N -0.75 5.90 0.38 2.29 1.04 -1.26 -4.94 113.70 116.36 1ygd s SER 3 Ca 0.43 -0.16 0.16 0.00 0.48 0.00 0.00 55.95 56.86 1ygd s SER 3 Cb -0.25 -1.42 1.04 0.00 0.10 0.00 0.00 66.02 65.49 1ygd s SER 3 CO 0.32 -0.23 1.78 -0.65 0.98 0.00 0.00 173.24 175.43 1ygd h PRO 4 N 1.14 0.44 -0.12 4.02 0.11 -2.00 0.22 132.00 135.81 1ygd h PRO 4 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1ygd h PRO 4 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ygd h PRO 4 CO 0.58 0.29 -0.25 0.00 -0.21 0.00 0.00 178.00 178.41 1ygd h ALA 5 N 1.63 0.19 -0.75 -0.75 0.00 -2.00 -2.85 119.26 114.74 1ygd h ALA 5 Ca 0.58 -0.39 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1ygd h ALA 5 Cb 1.38 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 1ygd h ALA 5 CO -0.31 0.17 0.31 -0.44 0.00 0.00 0.00 179.25 178.99 1ygd h ASP 6 N -0.04 0.31 0.06 0.00 3.32 -1.00 0.75 116.42 119.82 1ygd h ASP 6 Ca 0.00 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ygd h ASP 6 Cb 0.84 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1ygd h ASP 6 CO 0.05 0.13 -0.03 0.11 -1.72 0.00 0.00 179.24 177.79 1ygd h LYS 7 N 0.47 -0.07 -0.42 3.56 1.57 -1.24 -0.50 116.57 119.93 1ygd h LYS 7 Ca 0.40 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.27 1ygd h LYS 7 Cb 0.58 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 1ygd h LYS 7 CO -0.38 0.09 -0.03 1.15 -0.57 0.00 0.00 179.45 179.71 1ygd h THR 8 N -0.23 0.65 -0.74 -0.16 2.02 -1.14 -0.62 112.91 112.69 1ygd h THR 8 Ca -0.01 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.23 1ygd h THR 8 Cb 0.20 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 67.10 1ygd h THR 8 CO 0.01 0.01 0.40 0.78 0.37 0.00 0.00 175.52 177.10 1ygd h ASN 9 N 0.08 0.56 -0.19 4.18 -0.26 -0.50 -0.20 115.58 119.25 1ygd h ASN 9 Ca 0.21 0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.95 1ygd h ASN 9 Cb 0.31 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1ygd h ASN 9 CO -0.37 0.33 -0.06 0.58 -1.06 0.00 0.00 177.43 176.85 1ygd h VAL 10 N 0.69 1.29 -0.65 2.81 2.07 -0.05 -1.25 116.25 121.17 1ygd h VAL 10 Ca 0.35 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1ygd h VAL 10 Cb 0.31 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1ygd h VAL 10 CO -0.24 0.32 0.40 0.11 0.02 0.00 0.00 177.57 178.18 1ygd h LYS 11 N 0.07 0.87 -0.12 1.57 1.57 -0.91 0.76 116.57 120.37 1ygd h LYS 11 Ca 0.05 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ygd h LYS 11 Cb 0.51 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1ygd h LYS 11 CO 0.02 0.61 -0.01 0.00 -0.57 0.00 0.00 179.45 179.50 1ygd h ALA 12 N 1.21 0.17 0.05 3.86 0.00 -1.05 0.27 119.26 123.77 1ygd h ALA 12 Ca 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ygd h ALA 12 Cb -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ygd h ALA 12 CO -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 1ygd h ALA 13 N 0.73 -0.06 -0.43 0.00 0.00 -1.07 -2.63 119.26 115.79 1ygd h ALA 13 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ygd h ALA 13 Cb 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ygd h ALA 13 CO 0.01 -0.49 0.21 2.35 0.00 0.00 0.00 179.25 181.33 1ygd h TRP 14 N -0.15 0.63 -0.83 0.00 2.91 0.56 -2.37 115.95 116.69 1ygd h TRP 14 Ca -0.01 -0.03 0.19 0.00 1.13 0.00 0.00 58.89 60.18 1ygd h TRP 14 Cb 0.13 -0.19 -0.12 0.00 -0.51 0.00 0.00 29.16 28.47 1ygd h TRP 14 CO -0.04 0.51 0.29 0.78 -1.03 0.00 0.00 178.44 178.95 1ygd h GLY 15 N 0.56 1.31 2.00 2.65 0.00 -0.38 0.33 103.07 109.54 1ygd h GLY 15 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1ygd h GLY 15 CO -0.02 -0.24 -0.20 0.50 0.00 0.00 0.00 176.54 176.58 1ygd h LYS 16 N 0.34 0.00 -0.68 4.80 1.79 -1.05 -1.11 116.57 120.66 1ygd h LYS 16 Ca 0.50 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.91 1ygd h LYS 16 Cb 0.91 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.53 1ygd h LYS 16 CO -0.53 0.20 0.21 0.28 -1.08 0.00 0.00 179.45 178.53 1ygd h VAL 17 N 0.00 1.26 0.00 0.50 2.07 -0.17 -3.46 116.25 116.44 1ygd h VAL 17 Ca -0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1ygd h VAL 17 Cb 0.41 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ygd h VAL 17 CO 0.03 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.57 1ygd n GLY 18 N -0.72 2.79 0.00 2.17 0.00 -0.42 -1.39 105.19 107.62 1ygd n GLY 18 Ca 0.05 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 9.51 2.30 0.92 4.61 0.00 -1.26 -2.95 120.51 133.64 1ygd n ALA 19 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1ygd n ALA 19 Cb 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.72 0.02 -0.24 0.00 -0.00 -0.49 -4.60 115.22 109.19 1ygd n HIS 20 Ca 0.08 0.01 -0.06 0.00 -0.00 0.00 0.00 57.72 57.74 1ygd n HIS 20 Cb 0.04 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.99 29.87 1ygd n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ygd n ALA 21 N -1.56 -0.37 -0.16 -1.41 0.00 -1.15 -0.26 120.51 115.60 1ygd n ALA 21 Ca 0.04 0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.94 1ygd n ALA 21 Cb 0.35 0.04 0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 0.25 0.64 0.00 0.00 -1.86 0.46 103.07 102.56 1ygd h GLY 22 Ca 0.09 0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.77 1ygd h GLY 22 CO -0.55 -0.21 0.56 -2.09 0.00 0.00 0.00 176.54 174.26 1ygd h GLU 23 N -0.06 0.71 0.02 4.80 4.81 -0.98 -2.39 114.58 121.51 1ygd h GLU 23 Ca 0.24 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.22 1ygd h GLU 23 Cb 0.42 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 29.66 1ygd h GLU 23 CO -0.54 0.47 -0.80 1.88 -0.73 0.00 0.00 179.01 179.29 1ygd h TYR 24 N 0.74 0.77 -0.76 0.92 -1.99 0.27 -3.19 116.97 113.72 1ygd h TYR 24 Ca 0.42 -0.43 0.11 0.00 2.00 0.00 0.00 58.73 60.83 1ygd h TYR 24 Cb 0.59 -0.08 -0.08 0.00 2.00 0.00 0.00 36.73 39.16 1ygd h TYR 24 CO -0.00 1.27 0.38 0.78 -0.00 0.00 0.00 178.16 180.59 1ygd h GLY 25 N 0.05 1.17 0.86 3.88 0.00 0.20 0.16 103.07 109.39 1ygd h GLY 25 Ca -0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1ygd h GLY 25 CO 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 176.54 176.72 1ygd h ALA 26 N 1.47 -0.03 -0.58 3.60 0.00 -1.55 0.01 119.26 122.19 1ygd h ALA 26 Ca 0.39 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1ygd h ALA 26 Cb 0.45 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1ygd h ALA 26 CO -0.30 -0.44 0.30 1.49 0.00 0.00 0.00 179.25 180.29 1ygd h GLU 27 N -0.17 0.54 -0.25 0.00 4.81 -1.40 0.22 114.58 118.33 1ygd h GLU 27 Ca -0.00 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1ygd h GLU 27 Cb 0.16 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.34 1ygd h GLU 27 CO 0.00 0.36 -0.26 0.00 -0.73 0.00 0.00 179.01 178.38 1ygd h ALA 28 N 1.32 -0.16 -0.68 2.92 0.00 -0.31 0.18 119.26 122.53 1ygd h ALA 28 Ca 0.26 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1ygd h ALA 28 Cb 0.18 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1ygd h ALA 28 CO -0.18 -0.69 0.38 -0.07 0.00 0.00 0.00 179.25 178.68 1ygd h LEU 29 N -0.27 0.56 -0.66 0.00 3.38 0.60 -1.03 115.31 117.89 1ygd h LEU 29 Ca 0.14 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1ygd h LEU 29 Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1ygd h LEU 29 CO -0.41 0.36 -0.35 -0.08 0.09 0.00 0.00 178.44 178.06 1ygd h GLU 30 N 0.69 0.66 -0.32 1.13 4.81 0.36 0.12 114.58 122.04 1ygd h GLU 30 Ca 0.30 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1ygd h GLU 30 Cb 0.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1ygd h GLU 30 CO -0.18 0.91 -0.03 0.00 -0.73 0.00 0.00 179.01 178.97 1ygd h ARG 31 N 0.56 0.50 0.30 1.92 3.08 -0.33 -2.21 114.38 118.19 1ygd h ARG 31 Ca 0.06 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1ygd h ARG 31 Cb 0.86 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1ygd h ARG 31 CO 0.07 0.55 -0.14 1.98 -1.07 0.00 0.00 179.97 181.36 1ygd h MET 32 N 0.48 -0.39 -0.87 0.04 4.05 -0.14 -0.56 114.93 117.54 1ygd h MET 32 Ca 0.10 0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.67 1ygd h MET 32 Cb 0.36 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 1ygd h MET 32 CO 0.01 -0.09 0.56 0.74 0.23 0.00 0.00 176.91 178.37 1ygd h PHE 33 N -0.69 0.84 0.09 1.39 0.04 -0.89 -0.96 116.94 116.76 1ygd h PHE 33 Ca -0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1ygd h PHE 33 Cb 0.48 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1ygd h PHE 33 CO 0.01 0.35 -0.04 -0.07 -0.60 0.00 0.00 178.31 177.96 1ygd h LEU 34 N 0.74 -0.10 -0.71 1.54 3.38 -1.31 -3.25 115.31 115.60 1ygd h LEU 34 Ca 0.42 -0.49 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1ygd h LEU 34 Cb 0.59 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1ygd h LEU 34 CO -0.19 0.55 -0.60 0.28 0.09 0.00 0.00 178.44 178.57 1ygd h SER 35 N -0.87 0.16 -2.72 -0.43 0.02 -0.87 -3.35 113.55 105.50 1ygd h SER 35 Ca -0.01 -0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.24 1ygd h SER 35 Cb 0.58 -0.05 -0.41 0.00 0.14 0.00 0.00 62.40 62.67 1ygd h SER 35 CO 0.02 0.73 -0.73 0.49 -1.14 0.00 0.00 176.83 176.19 1ygd n PHE 36 N -3.85 1.73 -0.34 3.45 3.72 -0.38 -4.97 117.46 116.81 1ygd n PHE 36 Ca -0.02 -3.93 0.23 0.00 -0.05 0.00 0.00 57.45 53.68 1ygd n PHE 36 Cb 0.61 -0.31 0.50 0.00 -0.94 0.00 0.00 39.48 39.34 1ygd n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1ygd h PRO 37 N 5.30 0.38 -0.68 -1.08 0.11 -1.70 -1.18 132.00 133.15 1ygd h PRO 37 Ca 0.19 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.45 1ygd h PRO 37 Cb 0.80 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.79 1ygd h PRO 37 CO 0.60 0.25 0.47 1.79 -0.21 0.00 0.00 178.00 180.90 1ygd h THR 38 N 0.39 0.73 0.00 -1.15 1.35 -1.93 -1.09 112.91 111.22 1ygd h THR 38 Ca 0.63 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.43 1ygd h THR 38 Cb 1.57 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1ygd h THR 38 CO -0.35 0.03 0.00 0.35 -0.25 0.00 0.00 175.52 175.30 1ygd n THR 39 N -4.41 1.57 0.16 6.82 -2.24 -0.44 -1.89 114.28 113.85 1ygd n THR 39 Ca 0.13 0.59 0.02 0.00 -2.27 0.00 0.00 64.05 62.52 1ygd n THR 39 Cb 0.63 -1.58 0.24 0.00 -2.10 0.00 0.00 70.33 67.52 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 -1.41 -3.09 116.57 112.87 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ygd h LYS 40 CO 0.00 0.51 0.20 0.25 -0.57 0.00 0.00 179.45 179.83 1ygd n THR 41 N -3.65 0.93 0.77 -0.16 -2.24 -0.79 0.14 114.28 109.27 1ygd n THR 41 Ca -0.01 0.67 0.12 0.00 -2.27 0.00 0.00 64.05 62.56 1ygd n THR 41 Cb 0.57 -1.67 0.15 0.00 -2.10 0.00 0.00 70.33 67.28 1ygd n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ygd n TYR 42 N -1.89 0.22 -2.43 4.78 4.01 -1.17 -4.40 117.16 116.29 1ygd n TYR 42 Ca -0.01 0.06 -0.21 0.00 -0.16 0.00 0.00 57.90 57.59 1ygd n TYR 42 Cb 0.21 -0.40 0.01 0.00 -0.31 0.00 0.00 39.34 38.86 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 -1.79 2.69 0.26 -0.72 3.01 0.36 -4.84 117.46 116.44 1ygd n PHE 43 Ca 0.04 -2.77 0.13 0.00 1.01 0.00 0.00 57.45 55.86 1ygd n PHE 43 Cb 0.39 -0.21 0.67 0.00 -0.01 0.00 0.00 39.48 40.33 1ygd n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ygd h PRO 44 N 2.56 0.00 -0.00 -1.08 0.13 -1.76 -1.85 132.00 129.99 1ygd h PRO 44 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1ygd h PRO 44 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ygd h PRO 44 CO 0.71 0.13 -0.21 -2.39 -0.23 0.00 0.00 178.00 176.02 1ygd n HIS 45 N -3.46 0.00 -3.24 1.56 1.44 -1.26 -4.89 115.22 105.38 1ygd n HIS 45 Ca -0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.36 1ygd n HIS 45 Cb 0.29 -0.21 -0.06 0.00 0.12 0.00 0.00 29.99 30.13 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 -2.64 3.51 -0.43 -1.40 0.40 -0.70 -5.04 117.98 111.69 1ygd s PHE 46 Ca 0.23 1.16 -0.24 0.00 -0.60 0.00 0.00 56.93 57.48 1ygd s PHE 46 Cb 0.19 -2.46 0.02 0.00 0.51 0.00 0.00 43.02 41.28 1ygd s PHE 46 CO 0.53 0.27 0.81 0.34 0.70 0.00 0.00 175.22 177.87 1ygd s ASP 47 N -2.00 6.47 -0.19 1.36 2.15 -1.26 -4.94 116.67 118.26 1ygd s ASP 47 Ca 0.46 0.07 0.13 0.00 0.43 0.00 0.00 52.55 53.64 1ygd s ASP 47 Cb -0.13 -2.40 0.70 0.00 -0.30 0.00 0.00 42.92 40.79 1ygd s ASP 47 CO 0.19 -0.88 1.58 0.18 -0.17 0.00 0.00 175.17 176.07 1ygd n LEU 48 N 6.70 5.01 -4.79 -1.34 4.77 -1.26 -4.62 117.00 121.47 1ygd n LEU 48 Ca 0.03 -2.54 -0.35 0.00 -0.03 0.00 0.00 56.01 53.13 1ygd n LEU 48 Cb 0.48 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1ygd n LEU 48 CO 0.58 0.60 0.75 -0.94 -1.33 0.00 0.00 177.39 177.05 1ygd s SER 49 N -0.70 6.10 -0.07 -1.43 1.04 -1.26 -4.92 113.70 112.47 1ygd s SER 49 Ca 0.47 2.05 -0.33 0.00 0.48 0.00 0.00 55.95 58.61 1ygd s SER 49 Cb 0.35 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.79 1ygd s SER 49 CO 0.15 -0.95 1.92 1.57 0.98 0.00 0.00 173.24 176.91 1ygd n HIS 50 N -1.05 2.35 -0.13 5.02 -0.00 -1.26 -1.74 115.22 118.40 1ygd n HIS 50 Ca 0.10 -0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1ygd n HIS 50 Cb 0.52 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.69 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 4.52 0.93 3.76 1.57 0.00 -1.26 -5.06 105.19 109.66 1ygd n GLY 51 Ca 0.23 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1ygd n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ygd s SER 52 N -2.02 6.48 0.36 1.61 0.15 -0.71 -4.91 113.70 114.65 1ygd s SER 52 Ca 0.00 2.89 0.06 0.00 0.70 0.00 0.00 55.95 59.60 1ygd s SER 52 Cb 0.00 -2.65 0.68 0.00 -1.71 0.00 0.00 66.02 62.34 1ygd s SER 52 CO 0.00 -0.80 1.89 0.00 1.20 0.00 0.00 173.24 175.54 1ygd h ALA 53 N 3.98 1.43 -0.10 5.45 0.00 -1.91 -1.35 119.26 126.75 1ygd h ALA 53 Ca -0.49 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 1ygd h ALA 53 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ygd h ALA 53 CO 0.71 0.40 -0.48 1.96 0.00 0.00 0.00 179.25 181.84 1ygd h GLN 54 N 0.39 0.26 -0.11 0.00 4.20 -1.92 0.59 115.11 118.52 1ygd h GLN 54 Ca 0.08 -0.14 -0.24 0.00 0.06 0.00 0.00 58.65 58.42 1ygd h GLN 54 Cb 0.34 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.14 1ygd h GLN 54 CO 0.01 0.68 -0.86 0.28 -0.67 0.00 0.00 178.83 178.28 1ygd h VAL 55 N 0.21 1.28 -0.56 -0.54 2.07 -1.70 -0.17 116.25 116.83 1ygd h VAL 55 Ca 0.01 -2.05 -0.05 0.00 0.82 0.00 0.00 66.70 65.43 1ygd h VAL 55 Cb 0.92 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1ygd h VAL 55 CO 0.07 0.65 0.15 0.11 0.02 0.00 0.00 177.57 178.57 1ygd h LYS 56 N 0.50 0.89 0.53 1.57 1.79 -1.19 0.42 116.57 121.08 1ygd h LYS 56 Ca -0.08 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 1ygd h LYS 56 Cb 1.50 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 32.03 1ygd h LYS 56 CO 0.17 0.82 -0.26 0.78 -1.08 0.00 0.00 179.45 179.89 1ygd h GLY 57 N 0.80 -0.74 1.32 3.86 0.00 -0.79 -1.27 103.07 106.25 1ygd h GLY 57 Ca 0.18 0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 1ygd h GLY 57 CO -0.00 -0.27 0.23 0.84 0.00 0.00 0.00 176.54 177.33 1ygd h HIS 58 N -0.74 0.87 -0.11 5.60 -0.00 -1.05 -1.99 115.15 117.73 1ygd h HIS 58 Ca -0.07 -0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1ygd h HIS 58 Cb 0.56 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 1ygd h HIS 58 CO -0.03 0.68 -0.52 0.78 -0.00 0.00 0.00 177.93 178.84 1ygd h GLY 59 N 0.97 -1.03 0.20 5.26 0.00 -0.50 0.18 103.07 108.15 1ygd h GLY 59 Ca 0.20 0.65 0.07 0.00 0.00 0.00 0.00 47.33 48.25 1ygd h GLY 59 CO -0.02 -0.21 -0.16 1.70 0.00 0.00 0.00 176.54 177.85 1ygd h LYS 60 N -0.59 -0.12 -0.78 4.80 3.64 -0.92 -1.38 116.57 121.23 1ygd h LYS 60 Ca 0.04 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.58 1ygd h LYS 60 Cb 0.68 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.43 1ygd h LYS 60 CO -0.42 -0.08 0.31 0.87 -2.27 0.00 0.00 179.45 177.86 1ygd h LYS 61 N -0.12 0.43 -0.50 1.90 1.57 -0.44 0.22 116.57 119.62 1ygd h LYS 61 Ca 0.16 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1ygd h LYS 61 Cb 0.37 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1ygd h LYS 61 CO -0.39 0.28 0.05 0.28 -0.57 0.00 0.00 179.45 179.11 1ygd h VAL 62 N 0.44 1.26 -0.17 0.50 2.07 0.26 -2.24 116.25 118.37 1ygd h VAL 62 Ca 0.43 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1ygd h VAL 62 Cb 0.68 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1ygd h VAL 62 CO -0.42 0.35 -0.15 0.00 0.02 0.00 0.00 177.57 177.37 1ygd h ALA 63 N 0.96 1.44 -0.23 1.67 0.00 0.03 -1.73 119.26 121.41 1ygd h ALA 63 Ca 0.15 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1ygd h ALA 63 Cb 0.45 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ygd h ALA 63 CO 0.02 0.39 -0.53 -0.44 0.00 0.00 0.00 179.25 178.69 1ygd h ASP 64 N 0.26 0.73 -0.47 0.00 3.32 -0.37 -0.62 116.42 119.27 1ygd h ASP 64 Ca 0.05 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 1ygd h ASP 64 Cb 0.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1ygd h ASP 64 CO 0.03 1.12 0.19 0.00 -1.72 0.00 0.00 179.24 178.85 1ygd h ALA 65 N 0.90 0.61 -0.24 3.45 0.00 -1.03 -1.81 119.26 121.13 1ygd h ALA 65 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ygd h ALA 65 Cb 1.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ygd h ALA 65 CO 0.11 0.22 0.06 -0.07 0.00 0.00 0.00 179.25 179.57 1ygd h LEU 66 N 0.61 0.36 -0.73 0.00 3.38 -1.20 -1.97 115.31 115.76 1ygd h LEU 66 Ca 0.16 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.03 1ygd h LEU 66 Cb 0.20 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 1ygd h LEU 66 CO -0.01 0.49 0.31 0.74 0.09 0.00 0.00 178.44 180.06 1ygd h THR 67 N 0.22 0.73 -0.30 0.22 2.02 -0.99 -0.23 112.91 114.58 1ygd h THR 67 Ca 0.08 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1ygd h THR 67 Cb 0.26 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1ygd h THR 67 CO -0.00 0.09 -0.04 -1.13 0.37 0.00 0.00 175.52 174.81 1ygd h ASN 68 N 0.49 0.44 -0.06 4.18 -1.24 -1.05 -0.92 115.58 117.42 1ygd h ASN 68 Ca 0.39 -0.09 -0.13 0.00 0.71 0.00 0.00 56.30 57.18 1ygd h ASN 68 Cb 0.53 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 1ygd h ASN 68 CO -0.35 0.54 -0.40 0.00 -1.29 0.00 0.00 177.43 175.93 1ygd h ALA 69 N 1.52 0.85 -0.13 1.57 0.00 -0.31 -1.98 119.26 120.77 1ygd h ALA 69 Ca 0.09 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1ygd h ALA 69 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ygd h ALA 69 CO 0.01 0.64 -0.38 0.28 0.00 0.00 0.00 179.25 179.81 1ygd h VAL 70 N 0.48 1.29 -0.24 0.00 2.07 -0.68 -0.26 116.25 118.92 1ygd h VAL 70 Ca 0.04 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.06 1ygd h VAL 70 Cb 0.90 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1ygd h VAL 70 CO 0.08 0.43 -0.11 0.00 0.02 0.00 0.00 177.57 177.99 1ygd h ALA 71 N 1.39 1.38 -0.90 1.67 0.00 -0.80 -3.15 119.26 118.84 1ygd h ALA 71 Ca 0.02 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.18 1ygd h ALA 71 Cb 0.77 -0.12 -0.42 0.00 0.00 0.00 0.00 17.79 18.02 1ygd h ALA 71 CO 0.06 0.42 -0.85 0.72 0.00 0.00 0.00 179.25 179.61 1ygd n HIS 72 N -4.24 2.69 0.27 0.00 8.25 -0.78 -4.85 115.22 116.55 1ygd n HIS 72 Ca 0.00 -2.44 0.16 0.00 -0.26 0.00 0.00 57.72 55.18 1ygd n HIS 72 Cb 0.29 -0.27 0.77 0.00 1.12 0.00 0.00 29.99 31.90 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 2.66 0.10 -0.06 1.59 3.04 -1.02 0.26 116.25 122.83 1ygd h VAL 73 Ca 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 1ygd h VAL 73 Cb 1.35 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1ygd h VAL 73 CO 0.71 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.74 1ygd n ASP 74 N -3.10 1.84 -2.72 3.17 8.00 -1.26 -4.33 116.55 118.14 1ygd n ASP 74 Ca 0.01 -1.64 -0.04 0.00 0.71 0.00 0.00 54.79 53.84 1ygd n ASP 74 Cb 0.47 -0.03 0.09 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.43 -0.19 -0.24 -2.24 2.03 0.90 -5.00 116.55 112.24 1ygd n ASP 75 Ca 0.18 -2.29 -0.01 0.00 0.52 0.00 0.00 54.79 53.19 1ygd n ASP 75 Cb 0.40 0.21 0.11 0.00 -0.72 0.00 0.00 41.12 41.12 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 2.00 0.67 -0.92 -0.67 2.86 -1.69 -1.34 114.93 115.84 1ygd h MET 76 Ca -0.27 -0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.50 1ygd h MET 76 Cb 1.27 -0.15 -0.10 0.00 0.06 0.00 0.00 31.60 32.68 1ygd h MET 76 CO 0.06 0.45 0.51 -1.35 1.06 0.00 0.00 176.91 177.63 1ygd h PRO 77 N 0.69 0.66 0.00 -0.22 0.11 -1.94 0.14 132.00 131.44 1ygd h PRO 77 Ca 0.31 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.34 1ygd h PRO 77 Cb 0.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1ygd h PRO 77 CO -0.20 0.43 -0.89 -0.91 -0.21 0.00 0.00 178.00 176.23 1ygd h ASN 78 N 0.68 0.00 -0.19 -2.05 2.35 -1.91 -2.40 115.58 112.06 1ygd h ASN 78 Ca 0.52 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.09 1ygd h ASN 78 Cb 0.77 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1ygd h ASN 78 CO -0.38 0.16 -0.55 0.00 -1.65 0.00 0.00 177.43 175.01 1ygd h ALA 79 N 1.84 0.54 -0.11 -0.83 0.00 0.11 -3.23 119.26 117.59 1ygd h ALA 79 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ygd h ALA 79 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ygd h ALA 79 CO 0.01 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.23 1ygd n LEU 80 N -3.99 2.90 -0.22 0.00 4.77 0.30 -4.65 117.00 116.11 1ygd n LEU 80 Ca -0.04 -1.13 0.02 0.00 -0.03 0.00 0.00 56.01 54.84 1ygd n LEU 80 Cb 0.62 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.72 1ygd n LEU 80 CO 0.49 0.53 0.39 -0.24 -1.33 0.00 0.00 177.39 177.23 1ygd n SER 81 N 1.23 -0.27 0.11 -1.43 2.88 -0.90 0.61 113.62 115.85 1ygd n SER 81 Ca 0.14 1.05 -0.13 0.00 -1.33 0.00 0.00 58.87 58.59 1ygd n SER 81 Cb 0.54 -0.29 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 1ygd n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ygd h ALA 82 N 1.10 -0.57 -0.79 -1.46 0.00 -1.85 -1.07 119.26 114.61 1ygd h ALA 82 Ca 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ygd h ALA 82 Cb 0.42 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1ygd h ALA 82 CO -0.62 -0.88 0.52 -0.07 0.00 0.00 0.00 179.25 178.20 1ygd h LEU 83 N -0.56 0.90 0.32 0.00 3.38 -0.18 -1.60 115.31 117.57 1ygd h LEU 83 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ygd h LEU 83 Cb 0.59 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ygd h LEU 83 CO -0.21 0.65 -0.15 -1.28 0.09 0.00 0.00 178.44 177.54 1ygd h SER 84 N 1.06 -0.36 -0.70 -0.43 0.87 -0.50 -1.92 113.55 111.57 1ygd h SER 84 Ca 0.29 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.96 1ygd h SER 84 Cb -0.10 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 61.88 1ygd h SER 84 CO -0.07 -0.25 0.33 0.44 -0.53 0.00 0.00 176.83 176.75 1ygd h ASP 85 N -0.43 0.42 0.15 6.23 3.32 -0.77 -1.52 116.42 123.82 1ygd h ASP 85 Ca -0.04 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1ygd h ASP 85 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1ygd h ASP 85 CO 0.07 0.23 -0.26 0.25 -1.72 0.00 0.00 179.24 177.82 1ygd h LEU 86 N 0.56 -0.72 -1.38 1.55 6.46 -0.99 -1.08 115.31 119.71 1ygd h LEU 86 Ca 0.35 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 58.14 1ygd h LEU 86 Cb 0.39 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1ygd h LEU 86 CO -0.28 -0.35 -0.23 0.45 -0.62 0.00 0.00 178.44 177.40 1ygd h HIS 87 N -0.48 0.00 0.00 1.25 3.86 -1.04 -1.69 115.15 117.05 1ygd h HIS 87 Ca 0.02 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.97 1ygd h HIS 87 Cb 0.49 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1ygd h HIS 87 CO -0.22 0.23 -1.56 0.00 0.86 0.00 0.00 177.93 177.25 1ygd h ALA 88 N 1.77 0.70 0.00 2.45 0.00 -1.00 0.13 119.26 123.31 1ygd h ALA 88 Ca -0.00 -1.31 -0.17 0.00 0.00 0.00 0.00 54.91 53.42 1ygd h ALA 88 Cb 0.62 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1ygd h ALA 88 CO 0.03 1.46 -1.66 0.72 0.00 0.00 0.00 179.25 179.81 1ygd n HIS 89 N -3.08 0.00 -0.08 0.00 8.25 -0.43 -4.53 115.22 115.35 1ygd n HIS 89 Ca -0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.21 1ygd n HIS 89 Cb 1.01 -0.47 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 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 -2.34 0.46 -0.04 -0.41 4.81 -0.71 -4.76 118.16 115.17 1ygd n LYS 90 Ca -0.15 0.19 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 1ygd n LYS 90 Cb 0.80 -1.29 -0.08 0.00 0.02 0.00 0.00 35.03 34.47 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 -0.84 0.23 -2.73 3.14 3.38 -1.54 -3.48 115.31 113.47 1ygd h LEU 91 Ca -0.13 -0.49 -0.30 0.00 0.09 0.00 0.00 57.88 57.05 1ygd h LEU 91 Cb 0.99 -0.06 0.14 0.00 0.09 0.00 0.00 40.66 41.82 1ygd h LEU 91 CO -0.08 0.67 -0.83 0.54 0.09 0.00 0.00 178.44 178.83 1ygd n ARG 92 N -4.67 -1.81 -3.07 1.13 1.74 0.46 -4.97 116.66 105.47 1ygd n ARG 92 Ca -0.07 0.77 -0.39 0.00 -0.77 0.00 0.00 57.85 57.38 1ygd n ARG 92 Cb 0.32 -5.18 -0.05 0.00 -1.02 0.00 0.00 32.46 26.53 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 -3.38 4.89 0.17 1.55 1.01 -1.21 -5.03 120.40 118.40 1ygd s VAL 93 Ca 0.43 1.46 -0.31 0.00 0.00 0.00 0.00 61.98 63.56 1ygd s VAL 93 Cb -0.09 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1ygd s VAL 93 CO 0.79 0.34 1.41 -0.62 0.00 0.00 0.00 175.10 177.01 1ygd s ASP 94 N 0.20 6.77 0.44 3.32 -1.08 -1.26 -4.90 116.67 120.16 1ygd s ASP 94 Ca 0.36 2.46 0.28 0.00 -0.52 0.00 0.00 52.55 55.13 1ygd s ASP 94 Cb -0.19 -2.60 1.34 0.00 -1.46 0.00 0.00 42.92 40.01 1ygd s ASP 94 CO 0.20 -0.66 1.70 -0.65 0.52 0.00 0.00 175.17 176.28 1ygd h PRO 95 N 6.07 0.18 -0.33 4.34 0.11 -1.99 -1.48 132.00 138.90 1ygd h PRO 95 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1ygd h PRO 95 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1ygd h PRO 95 CO 0.83 0.12 0.17 -0.39 -0.21 0.00 0.00 178.00 178.52 1ygd h VAL 96 N 0.19 1.11 -0.05 3.15 -1.51 -2.02 -1.44 116.25 115.68 1ygd h VAL 96 Ca 0.70 -0.31 0.01 0.00 -1.23 0.00 0.00 66.70 65.87 1ygd h VAL 96 Cb 2.18 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1ygd h VAL 96 CO -0.29 0.13 0.04 0.78 -1.23 0.00 0.00 177.57 177.00 1ygd h ASN 97 N 0.46 0.00 -0.65 4.19 4.21 -1.64 -0.89 115.58 121.27 1ygd h ASN 97 Ca 0.12 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.54 1ygd h ASN 97 Cb 0.04 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 1ygd h ASN 97 CO -0.02 0.00 0.05 -0.26 -1.29 0.00 0.00 177.43 175.92 1ygd h PHE 98 N 0.00 1.19 -0.78 1.19 -1.00 -1.41 -1.53 116.94 114.59 1ygd h PHE 98 Ca 0.02 -0.19 -0.02 0.00 2.81 0.00 0.00 57.97 60.60 1ygd h PHE 98 Cb 0.09 -0.32 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 1ygd h PHE 98 CO 0.00 1.02 0.43 0.87 -1.61 0.00 0.00 178.31 179.01 1ygd h LYS 99 N 1.02 1.10 0.40 1.51 1.57 -1.23 -0.32 116.57 120.62 1ygd h LYS 99 Ca 0.19 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1ygd h LYS 99 Cb 0.51 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1ygd h LYS 99 CO 0.02 0.81 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.40 1ygd h LEU 100 N 1.09 -0.60 -0.62 2.94 3.38 -1.10 0.14 115.31 120.54 1ygd h LEU 100 Ca 0.28 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.32 1ygd h LEU 100 Cb 0.04 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1ygd h LEU 100 CO -0.04 -0.39 0.36 0.25 0.09 0.00 0.00 178.44 178.71 1ygd h LEU 101 N -0.61 0.56 -0.26 1.67 5.85 -1.14 -0.33 115.31 121.05 1ygd h LEU 101 Ca -0.05 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1ygd h LEU 101 Cb 0.50 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1ygd h LEU 101 CO 0.05 0.38 -0.06 0.28 -0.34 0.00 0.00 178.44 178.75 1ygd h SER 102 N 0.69 -0.22 -0.94 1.25 0.02 -0.73 0.91 113.55 114.52 1ygd h SER 102 Ca 0.26 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.35 1ygd h SER 102 Cb 0.10 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 1ygd h SER 102 CO -0.14 -0.08 0.60 -0.74 -1.14 0.00 0.00 176.83 175.33 1ygd h HIS 103 N 0.01 1.12 -0.23 3.45 -0.00 0.05 -1.66 115.15 117.89 1ygd h HIS 103 Ca 0.12 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.42 1ygd h HIS 103 Cb 0.18 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 1ygd h HIS 103 CO -0.25 0.59 -0.30 0.00 -0.00 0.00 0.00 177.93 177.97 1ygd h LEU 105 N 0.40 0.69 -0.26 0.00 3.38 -0.20 -1.72 115.31 117.60 1ygd h LEU 105 Ca 0.05 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1ygd h LEU 105 Cb 0.73 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1ygd h LEU 105 CO 0.06 0.66 0.03 -0.07 0.09 0.00 0.00 178.44 179.20 1ygd h LEU 106 N 0.67 -0.04 0.17 1.67 3.38 -0.84 0.10 115.31 120.42 1ygd h LEU 106 Ca 0.17 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1ygd h LEU 106 Cb 0.18 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1ygd h LEU 106 CO -0.02 0.01 -0.21 0.58 0.09 0.00 0.00 178.44 178.90 1ygd h VAL 107 N 0.12 0.55 -0.74 1.22 2.07 -1.35 0.72 116.25 118.84 1ygd h VAL 107 Ca 0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.77 1ygd h VAL 107 Cb 0.14 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1ygd h VAL 107 CO -0.18 0.00 0.32 0.74 0.02 0.00 0.00 177.57 178.47 1ygd h THR 108 N -0.42 0.72 -0.13 2.57 2.02 -0.83 0.15 112.91 116.99 1ygd h THR 108 Ca 0.01 -0.17 -0.18 0.00 0.77 0.00 0.00 66.41 66.84 1ygd h THR 108 Cb 0.41 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1ygd h THR 108 CO -0.07 0.09 -0.67 -0.07 0.37 0.00 0.00 175.52 175.17 1ygd h LEU 109 N 0.50 0.62 -1.64 2.58 3.38 -0.55 -2.87 115.31 117.34 1ygd h LEU 109 Ca 0.39 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ygd h LEU 109 Cb 0.54 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ygd h LEU 109 CO -0.36 1.12 -0.07 0.00 0.09 0.00 0.00 178.44 179.23 1ygd h ALA 110 N 0.88 1.05 0.00 1.53 0.00 0.56 0.60 119.26 123.87 1ygd h ALA 110 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ygd h ALA 110 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ygd h ALA 110 CO 0.12 0.08 -0.20 0.00 0.00 0.00 0.00 179.25 179.26 1ygd n ALA 111 N -2.15 2.60 0.00 0.00 0.00 0.38 -4.09 120.51 117.25 1ygd n ALA 111 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ygd n ALA 111 Cb 0.29 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1ygd n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ygd n HIS 112 N -1.93 0.00 -2.77 0.00 8.25 -0.87 -4.82 115.22 113.08 1ygd n HIS 112 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 1ygd n HIS 112 Cb 0.40 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.49 1ygd n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ygd n LEU 113 N -0.97 5.11 -0.01 2.41 4.32 0.15 -4.93 117.00 123.07 1ygd n LEU 113 Ca 0.00 -5.52 -0.08 0.00 -0.02 0.00 0.00 56.01 50.39 1ygd n LEU 113 Cb 0.00 -0.66 -0.06 0.00 -1.62 0.00 0.00 43.42 41.09 1ygd n LEU 113 CO 0.00 2.26 0.50 -0.65 -1.22 0.00 0.00 177.39 178.29 1ygd h PRO 114 N 3.09 -0.30 -0.06 3.23 0.11 -1.84 0.48 132.00 136.72 1ygd h PRO 114 Ca 0.24 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 1ygd h PRO 114 Cb 0.53 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1ygd h PRO 114 CO 0.91 -0.20 -0.07 0.00 -0.21 0.00 0.00 178.00 178.43 1ygd h ALA 115 N -0.79 1.78 0.00 -0.75 0.00 -1.96 -3.09 119.26 114.44 1ygd h ALA 115 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ygd h ALA 115 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ygd h ALA 115 CO -0.25 0.17 -1.21 -0.85 0.00 0.00 0.00 179.25 177.11 1ygd n GLU 116 N -4.41 0.61 -0.87 0.00 0.00 -0.90 -4.51 120.64 110.55 1ygd n GLU 116 Ca -0.02 0.05 -0.22 0.00 0.00 0.00 0.00 57.16 56.98 1ygd n GLU 116 Cb 0.18 -1.76 -0.06 0.00 0.00 0.00 0.00 31.44 29.80 1ygd n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ygd n PHE 117 N -2.58 1.16 -1.82 -1.84 7.35 0.11 -4.74 117.46 115.10 1ygd n PHE 117 Ca -0.01 -1.94 -0.31 0.00 -0.76 0.00 0.00 57.45 54.43 1ygd n PHE 117 Cb 0.55 -1.74 0.03 0.00 0.35 0.00 0.00 39.48 38.68 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 2.48 4.08 0.06 -2.13 -4.23 -1.26 -4.74 115.64 109.89 1ygd s THR 118 Ca 0.50 0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 61.54 1ygd s THR 118 Cb 0.16 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.34 1ygd s THR 118 CO -0.03 -0.88 1.25 -0.65 -0.54 0.00 0.00 174.62 173.77 1ygd h PRO 119 N -0.54 -0.16 -1.00 3.99 0.11 -1.98 0.19 132.00 132.61 1ygd h PRO 119 Ca -0.45 0.01 0.30 0.00 0.11 0.00 0.00 66.00 65.98 1ygd h PRO 119 Cb 1.22 0.04 -0.18 0.00 0.11 0.00 0.00 31.00 32.18 1ygd h PRO 119 CO 0.62 -0.11 0.13 0.00 -0.21 0.00 0.00 178.00 178.43 1ygd n ALA 120 N -2.89 0.62 -0.03 -0.75 0.00 -1.26 -0.41 120.51 115.79 1ygd n ALA 120 Ca -0.01 1.06 -0.13 0.00 0.00 0.00 0.00 53.44 54.35 1ygd n ALA 120 Cb 0.15 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 1ygd n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ygd h VAL 121 N 0.00 1.41 -1.01 0.00 2.07 -1.43 -1.81 116.25 115.48 1ygd h VAL 121 Ca 0.65 -1.33 0.23 0.00 0.82 0.00 0.00 66.70 67.08 1ygd h VAL 121 Cb 1.45 2.21 -0.11 0.00 -1.52 0.00 0.00 31.29 33.32 1ygd h VAL 121 CO -0.90 0.36 0.62 -0.74 0.02 0.00 0.00 177.57 176.93 1ygd h HIS 122 N -0.38 0.89 -0.15 1.57 6.17 0.22 0.86 115.15 124.32 1ygd h HIS 122 Ca 0.00 0.03 -0.17 0.00 0.71 0.00 0.00 60.37 60.94 1ygd h HIS 122 Cb 0.62 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 30.28 1ygd h HIS 122 CO 0.11 0.12 -0.61 0.00 0.71 0.00 0.00 177.93 178.26 1ygd h ALA 123 N 1.66 0.64 -0.02 5.26 0.00 -0.79 -1.52 119.26 124.49 1ygd h ALA 123 Ca 0.60 -0.54 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 1ygd h ALA 123 Cb 1.20 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1ygd h ALA 123 CO -0.37 0.71 -1.01 0.77 0.00 0.00 0.00 179.25 179.35 1ygd h SER 124 N 0.39 0.90 -0.66 0.00 0.02 0.73 -2.66 113.55 112.27 1ygd h SER 124 Ca -0.01 -0.71 -0.08 0.00 -0.84 0.00 0.00 61.79 60.15 1ygd h SER 124 Cb 1.17 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 1ygd h SER 124 CO 0.11 1.51 0.09 -0.07 -1.14 0.00 0.00 176.83 177.33 1ygd h LEU 125 N 0.41 1.06 -1.04 5.07 3.38 0.45 -2.05 115.31 122.58 1ygd h LEU 125 Ca -0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1ygd h LEU 125 Cb 1.66 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1ygd h LEU 125 CO 0.20 1.06 0.21 -0.78 0.09 0.00 0.00 178.44 179.22 1ygd h ASP 126 N 1.02 0.82 -0.17 -0.43 3.58 -1.28 -1.94 116.42 118.02 1ygd h ASP 126 Ca 0.20 -0.12 -0.18 0.00 0.42 0.00 0.00 57.03 57.35 1ygd h ASP 126 Cb 0.46 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1ygd h ASP 126 CO 0.02 0.76 -0.54 0.11 -2.88 0.00 0.00 179.24 176.71 1ygd h LYS 127 N 0.87 0.76 0.10 0.28 1.57 -1.24 -2.76 116.57 116.15 1ygd h LYS 127 Ca 0.20 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1ygd h LYS 127 Cb 0.22 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ygd h LYS 127 CO -0.01 1.10 -0.05 0.35 -0.57 0.00 0.00 179.45 180.27 1ygd h PHE 128 N 0.59 -0.12 -0.49 -1.35 3.57 -1.05 -0.68 116.94 117.40 1ygd h PHE 128 Ca 0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ygd h PHE 128 Cb 1.12 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1ygd h PHE 128 CO 0.06 0.09 0.33 -0.07 -2.23 0.00 0.00 178.31 176.49 1ygd h LEU 129 N -0.32 0.51 -1.18 0.59 3.38 -1.44 0.30 115.31 117.16 1ygd h LEU 129 Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ygd h LEU 129 Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ygd h LEU 129 CO 0.02 0.36 -0.10 0.00 0.09 0.00 0.00 178.44 178.81 1ygd h ALA 130 N 1.71 1.33 -0.15 1.53 0.00 -1.15 0.13 119.26 122.66 1ygd h ALA 130 Ca 0.19 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1ygd h ALA 130 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ygd h ALA 130 CO -0.05 0.45 -0.39 0.77 0.00 0.00 0.00 179.25 180.04 1ygd h SER 131 N 0.42 0.60 -0.90 0.00 0.02 0.10 -0.78 113.55 113.00 1ygd h SER 131 Ca 0.08 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ygd h SER 131 Cb 0.43 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1ygd h SER 131 CO 0.02 1.07 0.57 0.58 -1.14 0.00 0.00 176.83 177.94 1ygd h VAL 132 N 0.15 1.24 -0.29 2.27 2.07 -0.47 -1.13 116.25 120.09 1ygd h VAL 132 Ca -0.01 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1ygd h VAL 132 Cb 1.00 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1ygd h VAL 132 CO 0.08 0.24 0.08 0.28 0.02 0.00 0.00 177.57 178.28 1ygd h SER 133 N 1.23 0.44 0.15 0.57 0.02 -0.89 -2.03 113.55 113.04 1ygd h SER 133 Ca 0.33 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1ygd h SER 133 Cb -0.10 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1ygd h SER 133 CO -0.07 0.54 -0.16 0.74 -1.14 0.00 0.00 176.83 176.74 1ygd h THR 134 N 0.31 1.13 -0.03 -2.27 2.02 -0.61 -1.72 112.91 111.75 1ygd h THR 134 Ca 0.09 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1ygd h THR 134 Cb 0.26 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1ygd h THR 134 CO -0.00 0.17 -0.08 0.58 0.37 0.00 0.00 175.52 176.56 1ygd h VAL 135 N 0.02 1.47 0.00 3.16 2.07 -0.98 -1.77 116.25 120.22 1ygd h VAL 135 Ca 0.00 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1ygd h VAL 135 Cb 0.30 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1ygd h VAL 135 CO 0.02 0.41 0.00 -0.07 0.02 0.00 0.00 177.57 177.95 1ygd h LEU 136 N -0.48 0.00 -0.71 2.57 3.38 -1.04 -1.00 115.31 118.04 1ygd h LEU 136 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ygd h LEU 136 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ygd h LEU 136 CO 0.02 0.00 -0.46 0.41 0.09 0.00 0.00 178.44 178.50 1ygd n THR 137 N -2.82 0.00 -0.36 0.22 -1.04 -0.67 -4.48 114.28 105.12 1ygd n THR 137 Ca -0.01 -0.27 -0.01 0.00 -2.04 0.00 0.00 64.05 61.71 1ygd n THR 137 Cb 0.13 1.16 0.12 0.00 -1.82 0.00 0.00 70.33 69.91 1ygd n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ygd h SER 138 N 1.51 1.10 -0.88 8.00 4.64 -0.25 -3.10 113.55 124.58 1ygd h SER 138 Ca 0.00 -0.02 -0.57 0.00 -0.47 0.00 0.00 61.79 60.73 1ygd h SER 138 Cb 0.55 -0.26 -0.26 0.00 -0.31 0.00 0.00 62.40 62.12 1ygd h SER 138 CO 0.00 0.78 0.73 0.29 -0.87 0.00 0.00 176.83 177.76 1ygd n LYS 139 N -4.43 2.41 0.19 4.77 5.02 -1.26 -4.65 118.16 120.20 1ygd n LYS 139 Ca 0.12 -2.84 0.14 0.00 -2.02 0.00 0.00 58.31 53.71 1ygd n LYS 139 Cb 0.05 -2.11 0.46 0.00 -0.02 0.00 0.00 35.03 33.40 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 1.69 0.00 0.00 2.13 -1.99 -1.87 -3.46 116.97 113.47 1ygd h TYR 140 Ca 0.54 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.27 1ygd h TYR 140 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1ygd h TYR 140 CO 1.31 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 182.36