#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 0.02 0.00 1.12 -2.24 -1.26 -4.97 114.28 106.96 1siy n THR 2 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1siy n THR 2 Cb 0.00 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 0.04 0.53 0.00 0.00 -1.97 -1.96 103.07 99.71 1siy h GLY 4 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1siy h GLY 4 CO 0.00 0.08 -0.19 -1.61 0.00 0.00 0.00 176.54 174.82 1siy h GLN 5 N 0.01 -0.29 -0.43 4.80 4.15 -1.94 0.19 115.11 121.60 1siy h GLN 5 Ca -0.20 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 1siy h GLN 5 Cb 1.94 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.67 1siy h GLN 5 CO 0.10 -0.19 0.24 0.28 -1.93 0.00 0.00 178.83 177.33 1siy h VAL 6 N -0.30 1.15 0.00 2.39 2.07 -1.91 -1.84 116.25 117.81 1siy h VAL 6 Ca 0.06 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1siy h VAL 6 Cb 0.38 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1siy h VAL 6 CO -0.19 0.16 -0.11 -0.61 0.02 0.00 0.00 177.57 176.84 1siy h GLN 7 N 0.56 0.00 -0.29 1.57 4.15 -1.23 -1.57 115.11 118.29 1siy h GLN 7 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1siy h GLN 7 Cb 0.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1siy h GLN 7 CO -0.03 0.11 0.09 0.78 -1.93 0.00 0.00 178.83 177.85 1siy h GLY 8 N 0.98 0.44 0.60 2.39 0.00 -0.07 0.16 103.07 107.57 1siy h GLY 8 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1siy h GLY 8 CO 0.01 0.20 -0.45 -0.57 0.00 0.00 0.00 176.54 175.73 1siy h ASN 9 N 0.41 -1.21 0.94 0.19 -1.24 -1.26 -2.96 115.58 110.45 1siy h ASN 9 Ca 0.10 0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 1siy h ASN 9 Cb 0.13 0.39 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 1siy h ASN 9 CO -0.01 -0.62 -0.21 -0.07 -1.29 0.00 0.00 177.43 175.23 1siy h LEU 10 N -0.95 0.00 -1.76 0.34 4.07 -1.54 -2.91 115.31 112.56 1siy h LEU 10 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1siy h LEU 10 Cb 0.82 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 1siy h LEU 10 CO -0.04 0.21 0.15 0.00 -1.08 0.00 0.00 178.44 177.69 1siy h ALA 11 N 1.79 1.83 0.13 1.53 0.00 -0.52 0.54 119.26 124.56 1siy h ALA 11 Ca -0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1siy h ALA 11 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1siy h ALA 11 CO 0.03 0.16 -1.68 1.96 0.00 0.00 0.00 179.25 179.71 1siy h GLN 12 N 0.32 0.28 0.00 0.00 1.08 -1.48 -3.37 115.11 111.94 1siy h GLN 12 Ca 0.09 -0.48 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 1siy h GLN 12 Cb -0.03 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1siy h GLN 12 CO -0.02 1.15 -0.19 0.00 -0.95 0.00 0.00 178.83 178.83 1siy h ILE 14 N 0.00 0.46 0.00 0.00 2.04 -0.11 0.76 117.51 120.67 1siy h ILE 14 Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1siy h ILE 14 Cb 1.09 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1siy h ILE 14 CO 0.02 0.07 0.00 1.23 0.00 0.00 0.00 178.15 179.47 1siy h GLY 15 N 0.36 0.00 0.00 5.37 0.00 -1.84 0.33 103.07 107.29 1siy h GLY 15 Ca 0.63 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.78 1siy h GLY 15 CO -0.33 0.00 -1.67 0.33 0.00 0.00 0.00 176.54 174.87 1siy n PHE 16 N -3.00 0.00 0.07 5.60 7.35 0.56 -4.02 117.46 124.02 1siy n PHE 16 Ca -0.02 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.73 1siy n PHE 16 Cb 0.11 -0.46 0.50 0.00 0.35 0.00 0.00 39.48 39.98 1siy n PHE 16 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1siy h LEU 17 N 0.00 0.32 0.00 -2.13 5.85 0.89 0.81 115.31 121.05 1siy h LEU 17 Ca -0.26 -0.01 -0.34 0.00 0.84 0.00 0.00 57.88 58.11 1siy h LEU 17 Cb 1.47 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 1siy h LEU 17 CO -0.02 0.23 -2.05 1.67 -0.34 0.00 0.00 178.44 177.92 1siy n GLN 18 N -4.49 0.57 0.05 1.25 7.27 0.11 -1.09 117.38 121.05 1siy n GLN 18 Ca 0.02 0.30 -0.07 0.00 0.07 0.00 0.00 57.00 57.32 1siy n GLN 18 Cb 0.10 -1.52 -0.04 0.00 2.41 0.00 0.00 30.24 31.18 1siy n GLN 18 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1siy h LYS 19 N -1.00 -0.22 0.00 3.69 1.57 -1.66 -3.41 116.57 115.54 1siy h LYS 19 Ca -0.52 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1siy h LYS 19 Cb 1.43 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.79 1siy h LYS 19 CO -0.31 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.01 1siy n GLY 20 N 1.02 2.55 0.00 3.86 0.00 0.28 -5.03 105.19 107.87 1siy n GLY 20 Ca -0.05 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 1.32 0.47 3.67 -0.02 0.00 -1.26 -4.91 105.19 104.46 1siy n GLY 21 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1siy n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1siy s VAL 22 N 0.00 3.85 -0.26 1.61 -7.23 -1.26 -5.10 120.40 112.01 1siy s VAL 22 Ca 0.00 -1.21 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 1siy s VAL 22 Cb 0.00 -2.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 1siy s VAL 22 CO 0.00 0.01 0.23 -0.69 -0.31 0.00 0.00 175.10 174.34 1siy s VAL 23 N -1.50 5.29 0.35 1.32 1.01 -1.26 -4.63 120.40 120.98 1siy s VAL 23 Ca 0.26 0.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 1siy s VAL 23 Cb -0.10 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1siy s VAL 23 CO 0.18 0.27 0.99 -2.16 0.00 0.00 0.00 175.10 174.38 1siy s PRO 24 N 1.51 4.42 0.24 2.72 0.04 -1.26 -4.93 135.00 137.73 1siy s PRO 24 Ca 0.10 1.41 0.16 0.00 0.04 0.00 0.00 61.00 62.71 1siy s PRO 24 Cb -0.15 -2.70 0.88 0.00 0.04 0.00 0.00 34.50 32.57 1siy s PRO 24 CO 0.08 0.11 1.50 -2.30 0.04 0.00 0.00 177.00 176.43 1siy n PRO 25 N 0.31 0.11 -0.02 0.56 -0.02 -1.26 -1.32 135.00 133.35 1siy n PRO 25 Ca 0.03 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 61.98 1siy n PRO 25 Cb 0.50 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 1siy n PRO 25 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1siy h SER 26 N 0.00 -0.04 -0.45 2.55 0.02 -1.96 -0.16 113.55 113.51 1siy h SER 26 Ca 0.00 -0.61 0.08 0.00 -0.84 0.00 0.00 61.79 60.43 1siy h SER 26 Cb 0.02 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 1siy h SER 26 CO 0.00 0.62 0.01 0.00 -1.14 0.00 0.00 176.83 176.32 1siy h THR 29 N 0.00 1.41 -0.40 0.00 2.02 -0.17 -2.59 112.91 113.17 1siy h THR 29 Ca -0.00 -2.69 -0.14 0.00 0.77 0.00 0.00 66.41 64.35 1siy h THR 29 Cb 0.15 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 1siy h THR 29 CO 0.01 0.80 -0.31 1.23 0.37 0.00 0.00 175.52 177.61 1siy h GLY 30 N 1.16 0.98 0.76 2.16 0.00 0.67 -0.08 103.07 108.73 1siy h GLY 30 Ca -0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.23 1siy h GLY 30 CO 0.20 0.85 -0.04 -2.08 0.00 0.00 0.00 176.54 175.46 1siy h VAL 31 N 0.76 1.29 -0.20 4.60 2.07 -0.97 -2.14 116.25 121.66 1siy h VAL 31 Ca 0.08 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.66 1siy h VAL 31 Cb 0.88 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1siy h VAL 31 CO 0.08 0.29 0.18 0.50 0.02 0.00 0.00 177.57 178.64 1siy h LYS 32 N -0.01 0.00 0.42 1.57 3.64 -1.38 -0.93 116.57 119.89 1siy h LYS 32 Ca 0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1siy h LYS 32 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1siy h LYS 32 CO 0.02 0.00 -0.20 -0.97 -2.27 0.00 0.00 179.45 176.03 1siy h ASN 33 N 0.00 -0.47 -0.00 4.20 -0.73 -0.53 0.13 115.58 118.17 1siy h ASN 33 Ca 0.10 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1siy h ASN 33 Cb 0.45 0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.16 1siy h ASN 33 CO -0.00 -0.08 0.01 0.40 -0.37 0.00 0.00 177.43 177.39 1siy h ILE 34 N -0.96 0.06 0.00 2.57 5.03 -0.76 0.46 117.51 123.92 1siy h ILE 34 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1siy h ILE 34 Cb 0.56 0.99 0.00 0.00 -3.03 0.00 0.00 36.82 35.34 1siy h ILE 34 CO 0.09 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.74 1siy n LEU 35 N -3.16 0.77 0.08 1.44 4.32 -0.41 -4.20 117.00 115.83 1siy n LEU 35 Ca -0.03 0.34 -0.18 0.00 -0.02 0.00 0.00 56.01 56.12 1siy n LEU 35 Cb 0.08 -0.36 -0.14 0.00 -1.62 0.00 0.00 43.42 41.37 1siy n LEU 35 CO 0.21 -0.36 -0.27 0.78 -1.22 0.00 0.00 177.39 176.52 1siy h ASN 36 N 0.00 0.47 0.89 -1.43 2.35 -0.67 -3.32 115.58 113.87 1siy h ASN 36 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 1siy h ASN 36 Cb 0.00 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1siy h ASN 36 CO 0.00 1.49 -0.04 -1.20 -1.65 0.00 0.00 177.43 176.03 1siy n SER 37 N -3.51 0.05 -0.30 5.81 7.64 0.16 -2.29 113.62 121.18 1siy n SER 37 Ca -0.15 0.34 -0.03 0.00 1.01 0.00 0.00 58.87 60.04 1siy n SER 37 Cb 1.05 -0.40 0.09 0.00 -1.01 0.00 0.00 64.21 63.94 1siy n SER 37 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1siy h SER 38 N 0.01 0.89 0.00 6.43 0.87 -1.48 -3.46 113.55 116.81 1siy h SER 38 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1siy h SER 38 Cb 0.47 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1siy h SER 38 CO 0.00 0.62 0.00 -1.14 -0.53 0.00 0.00 176.83 175.78 1siy n ARG 39 N -4.56 0.00 -3.99 2.24 0.63 -0.97 -4.61 116.66 105.40 1siy n ARG 39 Ca 0.09 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.81 1siy n ARG 39 Cb 0.07 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.95 1siy n ARG 39 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1siy s THR 40 N 0.00 4.75 0.40 5.15 -1.32 -1.26 -4.96 115.64 118.40 1siy s THR 40 Ca 0.00 -1.19 0.12 0.00 -1.21 0.00 0.00 61.69 59.41 1siy s THR 40 Cb 0.00 -3.60 0.15 0.00 -1.51 0.00 0.00 72.50 67.54 1siy s THR 40 CO 0.00 -0.32 1.92 0.74 -2.21 0.00 0.00 174.62 174.75 1siy h THR 41 N 1.29 1.18 0.00 5.08 2.02 -1.94 0.35 112.91 120.89 1siy h THR 41 Ca -0.50 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 65.84 1siy h THR 41 Cb 1.24 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1siy h THR 41 CO 0.60 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.74 1siy h ALA 42 N 1.70 1.00 0.05 6.16 0.00 -1.94 -1.37 119.26 124.86 1siy h ALA 42 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.56 1siy h ALA 42 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1siy h ALA 42 CO 0.03 0.00 -2.16 -3.47 0.00 0.00 0.00 179.25 173.65 1siy n ASP 43 N -3.05 2.03 0.23 0.00 2.03 -0.05 -3.45 116.55 114.28 1siy n ASP 43 Ca -0.01 0.11 0.12 0.00 0.52 0.00 0.00 54.79 55.53 1siy n ASP 43 Cb 0.18 -0.70 0.72 0.00 -0.72 0.00 0.00 41.12 40.60 1siy n ASP 43 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1siy h ARG 44 N -0.16 0.00 0.09 -0.67 2.43 0.15 0.69 114.38 116.92 1siy h ARG 44 Ca -0.50 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.35 1siy h ARG 44 Cb 1.88 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.41 1siy h ARG 44 CO -0.06 0.00 -1.71 0.00 -1.51 0.00 0.00 179.97 176.70 1siy h ARG 45 N 0.00 0.19 -0.41 0.20 3.08 -1.47 -3.35 114.38 112.62 1siy h ARG 45 Ca 0.04 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1siy h ARG 45 Cb 0.19 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1siy h ARG 45 CO -0.00 1.15 0.13 0.00 -1.07 0.00 0.00 179.97 180.18 1siy h ALA 46 N -0.11 1.47 -0.02 0.04 0.00 -1.33 -0.86 119.26 118.45 1siy h ALA 46 Ca -0.39 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1siy h ALA 46 Cb 1.79 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1siy h ALA 46 CO -0.00 0.40 -0.26 -0.24 0.00 0.00 0.00 179.25 179.15 1siy h VAL 47 N 0.58 1.19 -0.23 0.00 3.04 0.17 -1.88 116.25 119.12 1siy h VAL 47 Ca 0.14 -0.91 -0.16 0.00 -1.01 0.00 0.00 66.70 64.76 1siy h VAL 47 Cb 0.17 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1siy h VAL 47 CO -0.01 0.26 -0.48 0.00 -1.01 0.00 0.00 177.57 176.34 1siy h SER 49 N 0.46 0.00 0.28 0.00 0.02 -0.75 -1.00 113.55 112.56 1siy h SER 49 Ca 0.01 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1siy h SER 49 Cb 1.08 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 1siy h SER 49 CO 0.11 0.07 -1.93 0.00 -1.14 0.00 0.00 176.83 173.93 1siy h LEU 51 N 0.03 0.39 -1.88 0.00 5.85 0.13 0.26 115.31 120.08 1siy h LEU 51 Ca -0.38 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1siy h LEU 51 Cb 2.04 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 43.15 1siy h LEU 51 CO 0.07 0.10 -0.10 0.07 -0.34 0.00 0.00 178.44 178.23 1siy h LYS 52 N 0.49 0.00 0.04 1.25 2.10 -1.39 0.27 116.57 119.32 1siy h LYS 52 Ca 0.50 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.84 1siy h LYS 52 Cb 0.83 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.12 1siy h LYS 52 CO -0.45 0.10 -1.78 0.00 -2.00 0.00 0.00 179.45 175.32 1siy n ALA 53 N -2.22 1.32 -0.07 0.07 0.00 0.13 -2.84 120.51 116.91 1siy n ALA 53 Ca -0.01 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.61 1siy n ALA 53 Cb 0.25 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 0.74 0.28 0.00 0.00 0.00 0.24 0.43 119.26 120.96 1siy h ALA 54 Ca -0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1siy h ALA 54 Cb 2.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1siy h ALA 54 CO 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1siy n ALA 55 N -2.27 1.90 0.96 0.00 0.00 0.86 -2.09 120.51 119.87 1siy n ALA 55 Ca -0.04 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1siy n ALA 55 Cb 0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 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 0.52 -0.25 0.10 0.00 0.00 -0.85 -4.16 105.19 100.55 1siy n GLY 56 Ca 0.04 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.46 2.92 -1.60 4.61 0.00 0.15 -4.88 120.51 121.24 1siy n ALA 57 Ca 0.07 -0.28 -0.44 0.00 0.00 0.00 0.00 53.44 52.79 1siy n ALA 57 Cb 0.41 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 1siy n ALA 57 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1siy n VAL 58 N -1.09 0.44 -3.76 0.00 0.24 -1.24 -4.94 118.33 107.97 1siy n VAL 58 Ca 0.11 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.34 61.72 1siy n VAL 58 Cb 0.31 -2.33 -0.11 0.00 -1.47 0.00 0.00 33.84 30.25 1siy n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1siy s ARG 59 N 5.71 2.35 0.00 7.34 6.06 -1.26 -4.42 118.95 134.72 1siy s ARG 59 Ca 0.99 -2.37 0.00 0.00 -2.50 0.00 0.00 55.73 51.84 1siy s ARG 59 Cb -0.46 -3.64 0.00 0.00 0.06 0.00 0.00 34.95 30.91 1siy s ARG 59 CO 0.40 -1.14 0.00 0.41 -2.50 0.00 0.00 175.30 172.47 1siy n GLY 60 N 3.70 1.34 3.86 8.12 0.00 -1.26 -5.05 105.19 115.90 1siy n GLY 60 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1siy n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1siy s ILE 61 N -2.32 4.76 -0.22 -0.61 1.09 -1.26 -4.76 121.20 117.87 1siy s ILE 61 Ca 0.00 0.79 -0.02 0.00 -1.10 0.00 0.00 60.65 60.32 1siy s ILE 61 Cb 0.00 -3.62 0.01 0.00 -1.06 0.00 0.00 42.46 37.79 1siy s ILE 61 CO 0.00 -0.19 -0.08 0.20 -0.10 0.00 0.00 174.94 174.76 1siy s ASN 62 N -2.40 4.04 0.09 3.58 0.01 -0.25 -4.86 114.94 115.15 1siy s ASN 62 Ca 0.52 -0.62 0.21 0.00 -0.71 0.00 0.00 52.86 52.25 1siy s ASN 62 Cb -0.10 -1.65 0.84 0.00 0.41 0.00 0.00 41.25 40.75 1siy s ASN 62 CO 0.20 -0.06 1.64 -0.81 -1.51 0.00 0.00 177.10 176.57 1siy n PRO 63 N 4.71 0.08 -0.21 -0.60 -0.05 -1.26 -1.92 135.00 135.75 1siy n PRO 63 Ca -0.18 0.25 0.03 0.00 -0.05 0.00 0.00 63.50 63.55 1siy n PRO 63 Cb 0.49 -1.63 0.29 0.00 -0.05 0.00 0.00 33.50 32.59 1siy n PRO 63 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 175.50 174.48 1siy h ASN 64 N 0.00 0.79 1.33 3.54 -0.73 -1.93 -1.11 115.58 117.47 1siy h ASN 64 Ca 0.00 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1siy h ASN 64 Cb 0.37 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.78 1siy h ASN 64 CO 0.00 0.55 0.00 0.78 -0.37 0.00 0.00 177.43 178.39 1siy h ASN 65 N 0.92 0.00 1.12 1.15 4.21 -1.65 -2.45 115.58 118.87 1siy h ASN 65 Ca 0.30 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.77 1siy h ASN 65 Cb 0.04 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1siy h ASN 65 CO -0.08 0.00 -0.16 0.00 -1.29 0.00 0.00 177.43 175.90 1siy h ALA 66 N 2.07 0.99 0.00 -0.83 0.00 -1.29 -1.41 119.26 118.78 1siy h ALA 66 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1siy h ALA 66 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1siy h ALA 66 CO 0.00 0.20 -0.23 1.49 0.00 0.00 0.00 179.25 180.71 1siy h GLU 67 N 0.00 0.00 0.00 0.00 4.57 -1.33 -3.09 114.58 114.74 1siy h GLU 67 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1siy h GLU 67 Cb 0.76 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1siy h GLU 67 CO 0.02 0.23 -0.52 0.00 -1.18 0.00 0.00 179.01 177.55 1siy h ALA 68 N 1.77 0.76 0.74 2.92 0.00 -1.30 -3.38 119.26 120.77 1siy h ALA 68 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1siy h ALA 68 Cb 0.91 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1siy h ALA 68 CO 0.03 0.26 -0.35 -0.07 0.00 0.00 0.00 179.25 179.11 1siy h LEU 69 N 0.00 -0.84 -2.62 0.00 3.38 -1.36 -2.47 115.31 111.41 1siy h LEU 69 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1siy h LEU 69 Cb 1.16 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1siy h LEU 69 CO 0.02 -0.59 0.01 1.55 0.09 0.00 0.00 178.44 179.52 1siy h PRO 70 N -1.00 0.00 0.14 1.13 0.13 -1.73 -1.09 132.00 129.58 1siy h PRO 70 Ca -0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1siy h PRO 70 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1siy h PRO 70 CO 0.17 0.00 -0.07 0.78 -0.23 0.00 0.00 178.00 178.65 1siy h GLY 71 N 0.00 -0.19 2.00 1.56 0.00 -1.69 -0.16 103.07 104.59 1siy h GLY 71 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1siy h GLY 71 CO -0.00 -0.07 -0.02 0.50 0.00 0.00 0.00 176.54 176.95 1siy h LYS 72 N -0.95 0.00 -0.50 4.80 6.56 -1.19 -2.34 116.57 122.95 1siy h LYS 72 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1siy h LYS 72 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1siy h LYS 72 CO 0.03 0.02 0.00 0.00 -2.06 0.00 0.00 179.45 177.44 1siy n GLY 74 N 1.38 -0.53 0.49 0.00 0.00 -0.88 -4.87 105.19 100.78 1siy n GLY 74 Ca 0.18 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.59 0.35 -2.88 1.61 0.24 -0.41 -5.06 118.33 107.60 1siy n VAL 75 Ca -0.10 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.34 62.07 1siy n VAL 75 Cb 0.62 -1.24 -0.01 0.00 -1.47 0.00 0.00 33.84 31.73 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 -3.05 -5.41 -4.83 -1.34 2.85 -0.21 -5.00 115.26 98.27 1siy n ASN 76 Ca -0.12 1.07 -0.26 0.00 -0.11 0.00 0.00 54.58 55.17 1siy n ASN 76 Cb 0.60 -3.59 -0.05 0.00 1.24 0.00 0.00 39.78 37.98 1siy n ASN 76 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1siy s ILE 77 N -0.83 4.68 0.00 -1.44 -4.36 -1.26 -5.08 121.20 112.91 1siy s ILE 77 Ca -0.08 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 1siy s ILE 77 Cb 0.01 -3.40 0.00 0.00 1.25 0.00 0.00 42.46 40.32 1siy s ILE 77 CO 0.43 -0.12 0.00 -2.65 0.24 0.00 0.00 174.94 172.84 1siy n PRO 78 N -0.43 1.14 0.00 0.37 -0.02 -1.26 -4.97 135.00 129.83 1siy n PRO 78 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1siy n PRO 78 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 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 -0.31 -0.89 -4.25 6.00 0.18 -1.26 -4.93 117.16 111.69 1siy n TYR 79 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 1siy n TYR 79 Cb 0.00 0.10 -0.10 0.00 -0.38 0.00 0.00 39.34 38.96 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 0.00 1.14 0.00 -3.48 -0.14 -1.26 -5.03 119.74 110.97 1siy s LYS 80 Ca 0.00 -1.56 0.25 0.00 -1.36 0.00 0.00 55.97 53.30 1siy s LYS 80 Cb 0.00 -0.29 0.45 0.00 -1.68 0.00 0.00 37.83 36.31 1siy s LYS 80 CO 0.00 -0.14 1.38 0.44 -0.76 0.00 0.00 175.35 176.27 1siy n ILE 81 N -0.27 0.00 -1.08 2.17 -5.35 -1.26 -4.86 119.36 108.72 1siy n ILE 81 Ca -0.06 -0.21 -0.31 0.00 -0.27 0.00 0.00 62.75 61.90 1siy n ILE 81 Cb 0.63 0.81 0.12 0.00 -1.74 0.00 0.00 39.64 39.47 1siy n ILE 81 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1siy s SER 82 N -2.42 3.79 0.25 7.28 0.01 -1.26 -4.32 113.70 117.02 1siy s SER 82 Ca 0.23 1.85 0.25 0.00 1.31 0.00 0.00 55.95 59.59 1siy s SER 82 Cb 0.19 -2.47 0.92 0.00 0.21 0.00 0.00 66.02 64.88 1siy s SER 82 CO 0.51 -2.50 1.74 0.35 0.41 0.00 0.00 173.24 173.76 1siy n THR 83 N -3.82 0.74 0.05 1.44 -2.24 -1.26 -2.69 114.28 106.50 1siy n THR 83 Ca 0.09 0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.94 1siy n THR 83 Cb 0.53 -0.95 0.21 0.00 -2.10 0.00 0.00 70.33 68.03 1siy n THR 83 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1siy n SER 84 N -2.27 3.41 -4.71 3.42 7.64 -1.26 -4.88 113.62 114.97 1siy n SER 84 Ca 0.03 -2.46 -0.40 0.00 1.01 0.00 0.00 58.87 57.06 1siy n SER 84 Cb 0.31 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 1siy n SER 84 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1siy s THR 85 N -1.90 5.06 -1.37 0.44 2.01 -1.09 -4.97 115.64 113.82 1siy s THR 85 Ca 0.28 1.37 -0.15 0.00 0.31 0.00 0.00 61.69 63.50 1siy s THR 85 Cb 0.21 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1siy s THR 85 CO 0.09 0.25 2.15 -0.46 -0.69 0.00 0.00 174.62 175.95 1siy n ASN 86 N 3.86 3.83 0.22 3.53 0.23 -1.26 -4.70 115.26 120.97 1siy n ASN 86 Ca -0.02 -2.83 0.15 0.00 -0.53 0.00 0.00 54.58 51.35 1siy n ASN 86 Cb 0.51 -1.62 0.73 0.00 -2.08 0.00 0.00 39.78 37.33 1siy n ASN 86 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1siy h ASN 88 N 0.00 0.00 0.00 0.00 -0.73 -1.87 -3.40 115.58 109.58 1siy h ASN 88 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1siy h ASN 88 Cb 0.19 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.78 1siy h ASN 88 CO 0.00 0.15 0.00 -1.20 -0.37 0.00 0.00 177.43 176.01 1siy n SER 89 N -3.85 0.00 0.00 1.15 7.64 -0.41 -5.05 113.62 113.10 1siy n SER 89 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1siy n SER 89 Cb 0.24 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.00 0.00 -0.47 0.44 -5.35 -0.68 -4.98 119.36 106.32 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