#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1siy n THR 2 N 0.00 0.00 0.00 1.12 -2.24 -1.26 -4.94 114.28 106.95 1siy n THR 2 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1siy n THR 2 Cb 0.00 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1siy n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1siy h GLY 4 N 0.00 0.15 0.37 0.00 0.00 -1.97 -0.00 103.07 101.62 1siy h GLY 4 Ca 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 47.33 47.04 1siy h GLY 4 CO 0.00 0.34 0.27 -1.61 0.00 0.00 0.00 176.54 175.54 1siy h GLN 5 N 0.04 0.44 -0.57 4.80 4.15 -1.94 -1.27 115.11 120.77 1siy h GLN 5 Ca -0.09 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 1siy h GLN 5 Cb 1.88 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 29.45 1siy h GLN 5 CO 0.16 0.29 0.01 0.28 -1.93 0.00 0.00 178.83 177.64 1siy h VAL 6 N 0.46 1.26 -0.13 2.39 2.07 -1.87 -2.84 116.25 117.58 1siy h VAL 6 Ca 0.33 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.79 1siy h VAL 6 Cb 0.41 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1siy h VAL 6 CO -0.31 0.40 0.10 -0.61 0.02 0.00 0.00 177.57 177.16 1siy h GLN 7 N 0.90 0.00 -0.02 1.57 4.15 0.12 -0.44 115.11 121.39 1siy h GLN 7 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1siy h GLN 7 Cb 0.51 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1siy h GLN 7 CO 0.03 0.00 0.07 0.78 -1.93 0.00 0.00 178.83 177.78 1siy h GLY 8 N 0.00 0.00 0.41 2.39 0.00 -1.08 0.61 103.07 105.40 1siy h GLY 8 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1siy h GLY 8 CO -0.00 0.00 -0.08 -0.57 0.00 0.00 0.00 176.54 175.89 1siy h ASN 9 N 0.00 -0.20 0.49 0.19 -1.24 -1.24 -3.39 115.58 110.20 1siy h ASN 9 Ca 0.01 -0.34 -0.30 0.00 0.71 0.00 0.00 56.30 56.39 1siy h ASN 9 Cb 0.16 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1siy h ASN 9 CO -0.00 0.33 -1.54 -0.07 -1.29 0.00 0.00 177.43 174.86 1siy h LEU 10 N -0.83 0.28 -1.87 0.34 4.07 -1.40 -3.36 115.31 112.54 1siy h LEU 10 Ca -0.02 -0.42 0.25 0.00 0.08 0.00 0.00 57.88 57.77 1siy h LEU 10 Cb 0.52 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.13 1siy h LEU 10 CO 0.04 1.35 0.64 0.00 -1.08 0.00 0.00 178.44 179.39 1siy h ALA 11 N 0.61 2.70 0.00 1.53 0.00 0.01 0.82 119.26 124.92 1siy h ALA 11 Ca -0.24 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1siy h ALA 11 Cb 1.99 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1siy h ALA 11 CO 0.14 -0.97 -1.00 1.96 0.00 0.00 0.00 179.25 179.39 1siy h GLN 12 N 0.10 0.00 -0.14 0.00 4.20 -1.75 -3.33 115.11 114.19 1siy h GLN 12 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1siy h GLN 12 Cb 1.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1siy h GLN 12 CO -0.05 0.56 0.00 0.00 -0.67 0.00 0.00 178.83 178.67 1siy h ILE 14 N 2.43 0.83 0.76 0.00 2.04 0.30 0.61 117.51 124.48 1siy h ILE 14 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1siy h ILE 14 Cb 0.60 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1siy h ILE 14 CO 0.00 0.00 -0.43 1.23 0.00 0.00 0.00 178.15 178.95 1siy h GLY 15 N 0.00 -1.23 0.89 5.37 0.00 -1.81 0.47 103.07 106.75 1siy h GLY 15 Ca 0.11 0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.95 1siy h GLY 15 CO -0.00 -0.43 0.36 -2.75 0.00 0.00 0.00 176.54 173.72 1siy h PHE 16 N -1.10 0.68 -0.68 5.60 3.57 -1.69 0.72 116.94 124.03 1siy h PHE 16 Ca -0.10 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.53 1siy h PHE 16 Cb 0.87 -0.22 -0.12 0.00 2.79 0.00 0.00 35.95 39.27 1siy h PHE 16 CO -0.04 0.39 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.02 1siy h LEU 17 N 0.71 -1.17 0.00 0.59 4.07 0.30 -2.96 115.31 116.85 1siy h LEU 17 Ca 0.23 0.24 0.00 0.00 0.08 0.00 0.00 57.88 58.44 1siy h LEU 17 Cb 0.01 0.60 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1siy h LEU 17 CO -0.09 -0.30 0.00 0.00 -1.08 0.00 0.00 178.44 176.97 1siy n GLN 18 N -5.45 0.00 -3.16 1.13 6.02 0.16 -4.31 117.38 111.78 1siy n GLN 18 Ca 0.06 0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 57.07 1siy n GLN 18 Cb 0.37 -0.90 -0.05 0.00 1.02 0.00 0.00 30.24 30.68 1siy n GLN 18 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1siy s LYS 19 N -0.95 0.87 0.06 -1.09 2.20 0.24 -4.88 119.74 116.20 1siy s LYS 19 Ca 0.00 -1.22 0.01 0.00 -0.36 0.00 0.00 55.97 54.40 1siy s LYS 19 Cb 0.00 -0.62 -0.00 0.00 -1.51 0.00 0.00 37.83 35.70 1siy s LYS 19 CO 0.00 -1.29 0.03 0.41 -0.36 0.00 0.00 175.35 174.14 1siy n GLY 20 N 3.45 3.93 1.50 5.54 0.00 -1.04 -4.60 105.19 113.97 1siy n GLY 20 Ca 0.19 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1siy n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1siy n GLY 21 N 1.18 0.00 3.31 -0.02 0.00 -1.26 -4.86 105.19 103.54 1siy n GLY 21 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1siy n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1siy s VAL 22 N -1.96 2.46 -0.31 1.61 0.11 -1.26 -5.09 120.40 115.96 1siy s VAL 22 Ca 0.00 -0.90 -0.25 0.00 -2.93 0.00 0.00 61.98 57.90 1siy s VAL 22 Cb 0.00 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.90 1siy s VAL 22 CO 0.00 0.56 0.89 -0.69 -3.33 0.00 0.00 175.10 172.53 1siy s VAL 23 N 0.03 4.70 0.34 2.04 1.01 -1.26 -4.92 120.40 122.35 1siy s VAL 23 Ca -0.08 1.39 -0.26 0.00 0.00 0.00 0.00 61.98 63.03 1siy s VAL 23 Cb -0.15 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 1siy s VAL 23 CO 0.05 -0.32 1.03 -2.16 0.00 0.00 0.00 175.10 173.71 1siy s PRO 24 N 3.18 4.44 0.36 2.72 0.04 -1.26 -4.92 135.00 139.55 1siy s PRO 24 Ca 0.37 1.56 0.23 0.00 0.04 0.00 0.00 61.00 63.19 1siy s PRO 24 Cb -0.14 -2.83 1.24 0.00 0.04 0.00 0.00 34.50 32.81 1siy s PRO 24 CO 0.13 0.09 1.69 -1.35 0.04 0.00 0.00 177.00 177.60 1siy h PRO 25 N 3.13 0.00 0.35 0.56 0.11 -1.97 -0.61 132.00 133.57 1siy h PRO 25 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1siy h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1siy h PRO 25 CO 0.65 0.00 -0.17 0.77 -0.21 0.00 0.00 178.00 179.04 1siy h SER 26 N 0.00 -0.40 -0.72 -2.05 0.02 -1.99 0.21 113.55 108.62 1siy h SER 26 Ca 0.00 -0.14 0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1siy h SER 26 Cb 0.07 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 1siy h SER 26 CO 0.00 0.04 0.35 0.00 -1.14 0.00 0.00 176.83 176.08 1siy h THR 29 N 0.45 1.25 -0.32 0.00 2.02 0.64 -0.78 112.91 116.17 1siy h THR 29 Ca 0.12 -0.70 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1siy h THR 29 Cb -0.02 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1siy h THR 29 CO -0.02 0.30 -0.28 1.23 0.37 0.00 0.00 175.52 177.12 1siy h GLY 30 N 1.18 0.72 0.94 2.16 0.00 -0.83 0.20 103.07 107.45 1siy h GLY 30 Ca 0.28 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1siy h GLY 30 CO -0.04 0.58 0.12 -2.08 0.00 0.00 0.00 176.54 175.13 1siy h VAL 31 N 0.58 1.13 0.00 4.60 2.07 -0.99 -0.59 116.25 123.05 1siy h VAL 31 Ca 0.07 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1siy h VAL 31 Cb 0.77 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1siy h VAL 31 CO 0.06 0.13 0.00 0.11 0.02 0.00 0.00 177.57 177.89 1siy h LYS 32 N 0.27 0.00 0.08 1.57 1.57 -0.83 -0.35 116.57 118.88 1siy h LYS 32 Ca 0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1siy h LYS 32 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1siy h LYS 32 CO -0.01 0.00 -0.04 -0.91 -0.57 0.00 0.00 179.45 177.92 1siy h ASN 33 N 0.00 -0.09 -0.64 0.86 -0.26 0.34 0.99 115.58 116.77 1siy h ASN 33 Ca 0.00 -0.45 0.04 0.00 -0.56 0.00 0.00 56.30 55.34 1siy h ASN 33 Cb 0.18 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.43 1siy h ASN 33 CO 0.00 0.57 0.43 0.40 -1.06 0.00 0.00 177.43 177.77 1siy h ILE 34 N -0.94 1.06 0.00 2.81 1.08 -0.84 0.23 117.51 120.91 1siy h ILE 34 Ca -0.01 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1siy h ILE 34 Cb 0.53 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1siy h ILE 34 CO 0.02 0.13 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.53 1siy h LEU 35 N 0.72 0.00 0.00 1.44 4.07 -1.17 -3.35 115.31 117.02 1siy h LEU 35 Ca 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 1siy h LEU 35 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1siy h LEU 35 CO -0.08 0.04 -0.06 0.78 -1.08 0.00 0.00 178.44 178.05 1siy h ASN 36 N -0.08 0.05 -0.12 -0.43 4.21 -0.91 -3.31 115.58 114.99 1siy h ASN 36 Ca 0.00 -0.82 0.00 0.00 1.21 0.00 0.00 56.30 56.69 1siy h ASN 36 Cb 0.01 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 1siy h ASN 36 CO 0.00 0.86 0.00 -1.20 -1.29 0.00 0.00 177.43 175.80 1siy n SER 37 N -4.65 0.75 -4.67 5.81 7.64 0.23 -4.79 113.62 113.93 1siy n SER 37 Ca -0.10 -1.84 -0.46 0.00 1.01 0.00 0.00 58.87 57.48 1siy n SER 37 Cb 0.43 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 1siy n SER 37 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1siy n SER 38 N -0.16 3.71 -0.32 6.43 2.88 0.55 -4.83 113.62 121.88 1siy n SER 38 Ca 0.08 0.95 0.17 0.00 -1.33 0.00 0.00 58.87 58.74 1siy n SER 38 Cb 0.14 -1.43 0.41 0.00 -0.75 0.00 0.00 64.21 62.58 1siy n SER 38 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1siy h ARG 39 N 9.68 0.58 -2.75 -1.46 2.47 -1.89 -3.44 114.38 117.57 1siy h ARG 39 Ca -0.49 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.30 1siy h ARG 39 Cb 1.26 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 29.40 1siy h ARG 39 CO 0.95 0.38 0.34 -0.08 0.56 0.00 0.00 179.97 182.12 1siy s THR 40 N -5.68 0.00 0.21 2.04 -1.32 -1.26 -4.97 115.64 104.66 1siy s THR 40 Ca -0.10 -0.87 0.30 0.00 -1.21 0.00 0.00 61.69 59.81 1siy s THR 40 Cb 0.25 -2.13 0.32 0.00 -1.51 0.00 0.00 72.50 69.42 1siy s THR 40 CO 0.80 0.00 1.97 0.74 -2.21 0.00 0.00 174.62 175.91 1siy h THR 41 N 2.00 0.31 0.00 5.08 2.02 -1.85 0.64 112.91 121.11 1siy h THR 41 Ca -0.22 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1siy h THR 41 Cb 1.24 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1siy h THR 41 CO 0.26 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.26 1siy h ALA 42 N 1.89 1.00 0.00 6.16 0.00 -1.94 0.14 119.26 126.51 1siy h ALA 42 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1siy h ALA 42 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1siy h ALA 42 CO 0.01 0.00 -2.37 -3.47 0.00 0.00 0.00 179.25 173.42 1siy n ASP 43 N -2.42 1.80 -0.37 0.00 2.03 0.10 -4.24 116.55 113.45 1siy n ASP 43 Ca 0.00 -0.11 -0.02 0.00 0.52 0.00 0.00 54.79 55.18 1siy n ASP 43 Cb 0.15 -0.15 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 1siy n ASP 43 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1siy h ARG 44 N 0.00 1.28 -0.25 -0.67 3.08 0.57 0.73 114.38 119.12 1siy h ARG 44 Ca -0.54 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.38 1siy h ARG 44 Cb 1.90 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 1siy h ARG 44 CO -0.07 0.85 -0.05 0.00 -1.07 0.00 0.00 179.97 179.64 1siy h ARG 45 N 1.32 0.48 -0.15 0.04 3.08 -1.18 -1.92 114.38 116.05 1siy h ARG 45 Ca 0.37 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 1siy h ARG 45 Cb -0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1siy h ARG 45 CO -0.09 0.69 -0.11 0.00 -1.07 0.00 0.00 179.97 179.40 1siy h ALA 46 N 0.77 0.21 -0.38 0.04 0.00 -1.61 -1.34 119.26 116.95 1siy h ALA 46 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1siy h ALA 46 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1siy h ALA 46 CO 0.02 0.05 0.17 -0.24 0.00 0.00 0.00 179.25 179.26 1siy h VAL 47 N -0.03 1.14 0.13 0.00 3.04 0.42 0.28 116.25 121.24 1siy h VAL 47 Ca 0.03 -0.40 -0.23 0.00 -1.01 0.00 0.00 66.70 65.09 1siy h VAL 47 Cb 0.61 0.66 0.03 0.00 -2.01 0.00 0.00 31.29 30.58 1siy h VAL 47 CO 0.03 0.16 -1.00 0.00 -1.01 0.00 0.00 177.57 175.75 1siy h SER 49 N -0.09 0.00 1.01 0.00 0.02 -0.86 -1.16 113.55 112.47 1siy h SER 49 Ca -0.16 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1siy h SER 49 Cb 1.74 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.28 1siy h SER 49 CO 0.19 0.14 -1.01 0.00 -1.14 0.00 0.00 176.83 175.01 1siy h LEU 51 N 0.00 1.01 0.00 0.00 5.85 0.09 0.23 115.31 122.49 1siy h LEU 51 Ca -0.03 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1siy h LEU 51 Cb 1.12 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1siy h LEU 51 CO 0.01 0.86 0.00 2.29 -0.34 0.00 0.00 178.44 181.26 1siy n LYS 52 N -4.31 0.36 -0.12 1.25 2.85 -0.95 -0.41 118.16 116.84 1siy n LYS 52 Ca 0.07 0.08 -0.15 0.00 -1.05 0.00 0.00 58.31 57.26 1siy n LYS 52 Cb 0.15 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.91 1siy n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1siy n ALA 53 N -1.21 1.49 -0.28 0.58 0.00 -0.49 -3.33 120.51 117.27 1siy n ALA 53 Ca 0.11 -1.08 -0.05 0.00 0.00 0.00 0.00 53.44 52.42 1siy n ALA 53 Cb 0.13 -0.08 0.06 0.00 0.00 0.00 0.00 19.45 19.57 1siy n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1siy h ALA 54 N 0.19 0.97 -0.56 0.00 0.00 -0.34 0.67 119.26 120.19 1siy h ALA 54 Ca -0.53 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1siy h ALA 54 Cb 1.90 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1siy h ALA 54 CO -0.06 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1siy n ALA 55 N -2.34 2.78 -0.00 0.00 0.00 0.45 -3.98 120.51 117.42 1siy n ALA 55 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1siy n ALA 55 Cb 0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1siy n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1siy n GLY 56 N 1.16 -0.08 0.02 0.00 0.00 -0.57 -4.56 105.19 101.17 1siy n GLY 56 Ca 0.21 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1siy n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1siy n ALA 57 N -1.68 2.62 -1.76 4.61 0.00 0.22 -4.88 120.51 119.65 1siy n ALA 57 Ca -0.01 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1siy n ALA 57 Cb 0.17 -1.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 1siy n ALA 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1siy s VAL 58 N -2.23 4.04 -0.13 0.00 -7.23 -1.26 -5.06 120.40 108.53 1siy s VAL 58 Ca 0.40 2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 62.55 1siy s VAL 58 Cb 0.21 -4.25 0.04 0.00 0.56 0.00 0.00 36.38 32.94 1siy s VAL 58 CO 0.41 0.44 -0.03 -0.13 -0.31 0.00 0.00 175.10 175.48 1siy s ARG 59 N -1.33 1.06 0.00 4.82 3.00 -1.26 -4.73 118.95 120.51 1siy s ARG 59 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 55.73 55.93 1siy s ARG 59 Cb -0.25 -1.57 0.00 0.00 0.00 0.00 0.00 34.95 33.13 1siy s ARG 59 CO 0.32 -0.38 0.00 0.41 0.00 0.00 0.00 175.30 175.65 1siy n GLY 60 N 5.01 0.71 0.14 -3.53 0.00 -1.26 -4.92 105.19 101.35 1siy n GLY 60 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1siy n GLY 60 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1siy h ILE 61 N 0.00 0.70 -3.76 -0.61 5.03 -1.85 -3.37 117.51 113.65 1siy h ILE 61 Ca 0.00 -2.36 0.00 0.00 -0.12 0.00 0.00 64.86 62.38 1siy h ILE 61 Cb 0.00 2.54 0.00 0.00 -3.03 0.00 0.00 36.82 36.33 1siy h ILE 61 CO 0.00 0.87 -0.74 0.59 -0.68 0.00 0.00 178.15 178.19 1siy n ASN 62 N -3.55 -7.53 0.16 1.72 4.13 -1.26 -4.39 115.26 104.54 1siy n ASN 62 Ca -0.31 1.19 0.12 0.00 1.68 0.00 0.00 54.58 57.27 1siy n ASN 62 Cb 1.03 -4.17 0.57 0.00 -1.54 0.00 0.00 39.78 35.67 1siy n ASN 62 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1siy h PRO 63 N 3.31 0.00 -0.99 3.52 0.14 -1.96 0.60 132.00 136.62 1siy h PRO 63 Ca 0.00 0.00 0.05 0.00 0.14 0.00 0.00 66.00 66.19 1siy h PRO 63 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 31.08 1siy h PRO 63 CO 0.00 0.00 0.65 -0.91 0.14 0.00 0.00 178.00 177.88 1siy h ASN 64 N 0.00 1.05 0.57 1.44 4.21 -1.99 0.76 115.58 121.63 1siy h ASN 64 Ca 0.00 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.34 1siy h ASN 64 Cb 0.24 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 1siy h ASN 64 CO 0.00 0.70 -0.75 0.78 -1.29 0.00 0.00 177.43 176.87 1siy h ASN 65 N 1.21 0.17 0.16 5.81 4.21 -1.09 -1.47 115.58 124.58 1siy h ASN 65 Ca 0.41 -0.12 -0.15 0.00 1.21 0.00 0.00 56.30 57.65 1siy h ASN 65 Cb 0.09 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1siy h ASN 65 CO -0.15 0.86 -0.56 0.00 -1.29 0.00 0.00 177.43 176.29 1siy h ALA 66 N 1.14 0.78 0.00 -0.83 0.00 -1.22 -2.34 119.26 116.78 1siy h ALA 66 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1siy h ALA 66 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1siy h ALA 66 CO 0.11 0.69 -0.57 -0.85 0.00 0.00 0.00 179.25 178.63 1siy n GLU 67 N -3.94 0.20 0.10 0.00 0.28 0.18 -3.44 120.64 114.03 1siy n GLU 67 Ca -0.03 0.06 -0.03 0.00 -0.16 0.00 0.00 57.16 57.00 1siy n GLU 67 Cb 0.60 -1.62 0.18 0.00 1.43 0.00 0.00 31.44 32.02 1siy n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1siy h ALA 68 N 2.67 0.99 0.64 -1.84 0.00 -0.95 -3.30 119.26 117.47 1siy h ALA 68 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1siy h ALA 68 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1siy h ALA 68 CO 0.00 0.67 -0.48 1.25 0.00 0.00 0.00 179.25 180.69 1siy h LEU 69 N 0.15 -1.27 -2.87 0.00 5.85 -1.45 -1.87 115.31 113.85 1siy h LEU 69 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1siy h LEU 69 Cb 0.97 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 1siy h LEU 69 CO 0.08 -0.69 -0.00 1.55 -0.34 0.00 0.00 178.44 179.03 1siy h PRO 70 N -1.08 0.00 -0.12 5.25 0.13 -1.74 -1.07 132.00 133.38 1siy h PRO 70 Ca -0.08 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.83 1siy h PRO 70 Cb 0.90 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.04 1siy h PRO 70 CO 0.02 0.00 -0.81 0.78 -0.23 0.00 0.00 178.00 177.76 1siy h GLY 71 N 0.11 0.79 0.92 1.56 0.00 -1.47 -1.83 103.07 103.15 1siy h GLY 71 Ca -0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 47.33 46.07 1siy h GLY 71 CO 0.00 1.02 -0.26 0.50 0.00 0.00 0.00 176.54 177.81 1siy h LYS 72 N 0.47 0.62 0.00 4.80 1.79 -0.44 -3.10 116.57 120.71 1siy h LYS 72 Ca -0.06 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1siy h LYS 72 Cb 1.44 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 1siy h LYS 72 CO 0.16 0.93 0.00 0.00 -1.08 0.00 0.00 179.45 179.46 1siy n GLY 74 N 0.67 -0.83 1.00 0.00 0.00 -0.70 -4.92 105.19 100.42 1siy n GLY 74 Ca 0.04 0.39 0.12 0.00 0.00 0.00 0.00 46.02 46.56 1siy n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1siy n VAL 75 N -3.67 0.23 -3.46 1.61 0.24 -1.15 -5.00 118.33 107.13 1siy n VAL 75 Ca -0.16 -0.59 -0.16 0.00 -2.04 0.00 0.00 64.34 61.40 1siy n VAL 75 Cb 0.64 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 1siy n VAL 75 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1siy n ASN 76 N 1.30 -6.12 -4.66 -1.34 5.15 -1.26 -4.88 115.26 103.44 1siy n ASN 76 Ca 0.17 -0.52 -0.41 0.00 -0.60 0.00 0.00 54.58 53.21 1siy n ASN 76 Cb 0.58 -3.18 -0.04 0.00 -0.53 0.00 0.00 39.78 36.60 1siy n ASN 76 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1siy s ILE 77 N -2.89 4.89 -1.18 -1.44 2.07 -1.26 -4.93 121.20 116.46 1siy s ILE 77 Ca 0.03 1.57 0.28 0.00 -1.41 0.00 0.00 60.65 61.12 1siy s ILE 77 Cb -0.01 -4.11 0.34 0.00 0.13 0.00 0.00 42.46 38.81 1siy s ILE 77 CO 0.84 0.02 1.91 -2.65 -1.91 0.00 0.00 174.94 173.15 1siy n PRO 78 N 5.34 0.17 -1.93 3.50 -0.02 -1.26 -4.87 135.00 135.93 1siy n PRO 78 Ca 0.04 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1siy n PRO 78 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1siy n PRO 78 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1siy n TYR 79 N -1.41 0.00 -4.22 6.00 0.18 -1.26 -5.15 117.16 111.30 1siy n TYR 79 Ca 0.09 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.72 1siy n TYR 79 Cb 0.28 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.16 1siy n TYR 79 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1siy s LYS 80 N -1.89 1.58 -0.13 -3.48 -0.14 -1.26 -5.04 119.74 109.38 1siy s LYS 80 Ca 0.00 -1.82 0.13 0.00 -1.36 0.00 0.00 55.97 52.92 1siy s LYS 80 Cb 0.00 0.33 0.58 0.00 -1.68 0.00 0.00 37.83 37.06 1siy s LYS 80 CO 0.00 -0.58 1.44 0.44 -0.76 0.00 0.00 175.35 175.89 1siy n ILE 81 N -0.48 1.69 -2.20 2.17 -6.64 -1.26 -4.89 119.36 107.74 1siy n ILE 81 Ca 0.04 -0.97 -0.39 0.00 -1.77 0.00 0.00 62.75 59.66 1siy n ILE 81 Cb 0.63 -0.12 -0.02 0.00 -1.44 0.00 0.00 39.64 38.69 1siy n ILE 81 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1siy s SER 82 N -0.71 6.62 0.25 7.28 1.04 -1.26 -4.67 113.70 122.26 1siy s SER 82 Ca 0.40 2.51 -0.04 0.00 0.48 0.00 0.00 55.95 59.30 1siy s SER 82 Cb 0.28 -2.63 0.34 0.00 0.10 0.00 0.00 66.02 64.10 1siy s SER 82 CO 0.16 -0.62 1.89 0.74 0.98 0.00 0.00 173.24 176.39 1siy h THR 83 N 2.64 1.14 -2.63 2.02 2.02 -1.91 -3.11 112.91 113.09 1siy h THR 83 Ca -0.49 -0.41 -0.79 0.00 0.77 0.00 0.00 66.41 65.49 1siy h THR 83 Cb 1.23 -0.16 -0.24 0.00 -1.74 0.00 0.00 68.15 67.24 1siy h THR 83 CO 0.64 0.22 1.06 -0.24 0.37 0.00 0.00 175.52 177.57 1siy n SER 84 N -4.49 5.80 -3.45 4.18 2.88 -1.26 -4.86 113.62 112.42 1siy n SER 84 Ca 0.13 -3.21 -0.15 0.00 -1.33 0.00 0.00 58.87 54.31 1siy n SER 84 Cb 0.12 -1.38 -0.11 0.00 -0.75 0.00 0.00 64.21 62.09 1siy n SER 84 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1siy s THR 85 N -1.26 -0.41 -0.00 2.46 2.01 -1.18 -5.14 115.64 112.12 1siy s THR 85 Ca 0.34 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.96 1siy s THR 85 Cb 0.02 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1siy s THR 85 CO 0.03 -0.18 0.90 0.54 -0.69 0.00 0.00 174.62 175.22 1siy s ASN 86 N 2.40 7.29 -0.20 3.53 2.20 -1.26 -4.89 114.94 124.00 1siy s ASN 86 Ca 0.09 1.55 0.16 0.00 -0.94 0.00 0.00 52.86 53.72 1siy s ASN 86 Cb -0.16 -2.53 0.51 0.00 -2.00 0.00 0.00 41.25 37.08 1siy s ASN 86 CO -0.13 -0.19 1.41 0.00 -2.94 0.00 0.00 177.10 175.25 1siy h ASN 88 N 1.53 0.00 0.00 0.00 -1.24 -1.91 -3.40 115.58 110.56 1siy h ASN 88 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1siy h ASN 88 Cb 1.46 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.51 1siy h ASN 88 CO 0.24 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.18 1siy n SER 89 N -2.38 0.00 0.00 1.15 7.64 -1.26 -5.04 113.62 113.73 1siy n SER 89 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1siy n SER 89 Cb 0.32 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1siy n SER 89 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1siy n ILE 90 N -1.29 0.00 -0.53 0.44 -5.35 -1.26 -4.94 119.36 106.43 1siy n ILE 90 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1siy n ILE 90 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1siy n ILE 90 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59