#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1siy s THR 2 N 0.00 0.13 -2.00 1.12 -4.23 -1.26 -4.95 115.64 104.44 1siy s THR 2 Ca 0.00 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 1siy s THR 2 Cb 0.00 -1.62 0.23 0.00 1.34 0.00 0.00 72.50 72.45 1siy s THR 2 CO 0.00 -0.57 0.94 0.00 -0.54 0.00 0.00 174.62 174.45 1siy n GLY 4 N 0.04 -0.83 0.26 0.00 0.00 -1.26 -2.84 105.19 100.55 1siy n GLY 4 Ca 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1siy n GLY 4 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1siy h GLN 5 N 0.00 0.87 -0.77 1.61 4.15 -1.56 -2.35 115.11 117.06 1siy h GLN 5 Ca -0.42 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 58.78 1siy h GLN 5 Cb 1.93 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 29.46 1siy h GLN 5 CO 0.02 0.79 0.32 0.28 -1.93 0.00 0.00 178.83 178.31 1siy h VAL 6 N 0.79 1.25 -0.07 2.39 2.07 -1.60 -2.62 116.25 118.46 1siy h VAL 6 Ca 0.18 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1siy h VAL 6 Cb 0.27 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1siy h VAL 6 CO -0.01 0.32 0.07 -0.61 0.02 0.00 0.00 177.57 177.37 1siy h GLN 7 N 1.12 0.00 0.00 1.57 4.15 -1.28 0.36 115.11 121.03 1siy h GLN 7 Ca 0.26 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 1siy h GLN 7 Cb 0.20 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1siy h GLN 7 CO -0.02 0.00 -0.02 0.78 -1.93 0.00 0.00 178.83 177.63 1siy h GLY 8 N 0.00 0.00 0.17 2.39 0.00 -1.10 0.44 103.07 104.96 1siy h GLY 8 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 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 -0.19 -0.42 0.19 -0.73 -1.07 -3.37 115.58 109.99 1siy h ASN 9 Ca -0.00 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.20 1siy h ASN 9 Cb 0.05 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 1siy h ASN 9 CO 0.00 0.14 0.23 -0.07 -0.37 0.00 0.00 177.43 177.36 1siy h LEU 10 N -0.77 0.36 -1.45 0.34 -0.00 -1.31 -2.34 115.31 110.13 1siy h LEU 10 Ca -0.02 0.01 0.15 0.00 -0.00 0.00 0.00 57.88 58.02 1siy h LEU 10 Cb 0.17 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 40.71 1siy h LEU 10 CO 0.04 0.26 0.54 0.00 -0.00 0.00 0.00 178.44 179.28 1siy h ALA 11 N 1.20 2.01 0.00 1.53 0.00 -0.32 0.64 119.26 124.32 1siy h ALA 11 Ca 0.17 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 1siy h ALA 11 Cb 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1siy h ALA 11 CO -0.09 -0.23 -1.80 1.04 0.00 0.00 0.00 179.25 178.16 1siy n GLN 12 N -4.52 0.64 0.04 0.00 6.02 -1.10 -4.24 117.38 114.23 1siy n GLN 12 Ca 0.16 0.24 0.11 0.00 -0.01 0.00 0.00 57.00 57.50 1siy n GLN 12 Cb 0.52 -1.75 0.01 0.00 1.02 0.00 0.00 30.24 30.04 1siy n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1siy h ILE 14 N 0.00 0.42 0.14 0.00 2.04 0.07 0.23 117.51 120.41 1siy h ILE 14 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1siy h ILE 14 Cb 0.80 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1siy h ILE 14 CO 0.00 0.00 -0.11 1.23 0.00 0.00 0.00 178.15 179.27 1siy h GLY 15 N 0.00 -0.64 1.51 5.37 0.00 -1.83 0.32 103.07 107.80 1siy h GLY 15 Ca 0.12 0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.70 1siy h GLY 15 CO -0.00 -0.23 0.13 -2.75 0.00 0.00 0.00 176.54 173.69 1siy h PHE 16 N -0.24 0.63 -0.79 5.60 3.57 -1.56 0.81 116.94 124.96 1siy h PHE 16 Ca -0.02 -0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.61 1siy h PHE 16 Cb 0.20 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 1siy h PHE 16 CO -0.01 0.52 0.30 -0.07 -2.23 0.00 0.00 178.31 176.82 1siy h LEU 17 N 0.62 0.25 0.00 0.59 4.07 -0.45 -1.69 115.31 118.69 1siy h LEU 17 Ca 0.15 0.13 -0.11 0.00 0.08 0.00 0.00 57.88 58.13 1siy h LEU 17 Cb 0.19 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1siy h LEU 17 CO -0.01 0.06 -0.85 -0.61 -1.08 0.00 0.00 178.44 175.95 1siy h GLN 18 N 0.41 0.00 -3.88 1.13 4.15 0.63 -3.33 115.11 114.23 1siy h GLN 18 Ca 0.45 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 59.19 1siy h GLN 18 Cb 0.74 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 28.06 1siy h GLN 18 CO -0.45 0.45 -0.50 0.15 -1.93 0.00 0.00 178.83 176.55 1siy s LYS 19 N -2.29 2.19 -0.28 1.69 3.01 0.27 -4.72 119.74 119.62 1siy s LYS 19 Ca -0.21 -2.31 -0.28 0.00 -1.01 0.00 0.00 55.97 52.15 1siy s LYS 19 Cb 0.04 -3.56 -0.04 0.00 -1.01 0.00 0.00 37.83 33.27 1siy s LYS 19 CO 0.38 -1.11 2.03 0.20 0.51 0.00 0.00 175.35 177.36 1siy s GLY 20 N 0.77 0.62 0.39 -3.33 0.00 -0.64 -3.75 107.32 101.38 1siy s GLY 20 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.39 1siy s GLY 20 CO -0.03 3.56 0.00 0.61 0.00 0.00 0.00 173.10 177.24 1siy n GLY 21 N 5.61 -1.22 2.97 0.20 0.00 -1.26 -5.06 105.19 106.43 1siy n GLY 21 Ca 0.27 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.92 0.68 -0.30 1.61 0.11 -1.26 -5.12 120.40 114.20 1siy s VAL 22 Ca 0.00 -0.29 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 1siy s VAL 22 Cb 0.00 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1siy s VAL 22 CO 0.00 0.23 0.13 -0.69 -3.33 0.00 0.00 175.10 171.44 1siy s VAL 23 N 0.35 4.52 0.21 2.04 1.01 -1.26 -4.42 120.40 122.84 1siy s VAL 23 Ca -0.05 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1siy s VAL 23 Cb -0.09 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 1siy s VAL 23 CO 0.00 0.13 1.13 -2.16 0.00 0.00 0.00 175.10 174.20 1siy s PRO 24 N 1.61 4.57 0.40 2.72 0.04 -1.26 -4.92 135.00 138.16 1siy s PRO 24 Ca 0.05 1.79 0.24 0.00 0.04 0.00 0.00 61.00 63.12 1siy s PRO 24 Cb -0.17 -3.24 1.32 0.00 0.04 0.00 0.00 34.50 32.46 1siy s PRO 24 CO 0.06 0.06 1.73 -1.35 0.04 0.00 0.00 177.00 177.53 1siy h PRO 25 N 4.79 0.00 0.03 0.56 0.11 -1.98 -0.94 132.00 134.57 1siy h PRO 25 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.72 0.00 -0.01 0.77 -0.21 0.00 0.00 178.00 179.26 1siy h SER 26 N 0.00 -0.03 -0.52 -2.05 0.02 -1.98 0.56 113.55 109.56 1siy h SER 26 Ca 0.00 -0.66 0.10 0.00 -0.84 0.00 0.00 61.79 60.39 1siy h SER 26 Cb 0.14 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.59 1siy h SER 26 CO 0.00 0.68 -0.07 0.00 -1.14 0.00 0.00 176.83 176.30 1siy h THR 29 N 0.53 1.25 -0.16 0.00 2.02 0.42 -0.86 112.91 116.10 1siy h THR 29 Ca 0.14 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.28 1siy h THR 29 Cb -0.05 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1siy h THR 29 CO -0.03 0.34 -0.54 1.23 0.37 0.00 0.00 175.52 176.89 1siy h GLY 30 N 1.05 0.53 0.92 2.16 0.00 -0.18 0.04 103.07 107.59 1siy h GLY 30 Ca 0.21 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1siy h GLY 30 CO -0.00 0.55 0.12 -2.08 0.00 0.00 0.00 176.54 175.12 1siy h VAL 31 N 0.37 1.17 0.00 4.60 2.07 -1.00 -0.73 116.25 122.73 1siy h VAL 31 Ca 0.01 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1siy h VAL 31 Cb 1.07 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1siy h VAL 31 CO 0.10 0.18 -0.02 0.11 0.02 0.00 0.00 177.57 177.96 1siy h LYS 32 N 0.31 0.00 0.03 1.57 1.57 -0.94 -0.70 116.57 118.42 1siy h LYS 32 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1siy h LYS 32 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1siy h LYS 32 CO -0.01 0.02 -0.02 -0.91 -0.57 0.00 0.00 179.45 177.96 1siy h ASN 33 N 0.00 -0.04 0.54 0.86 4.21 -0.06 0.27 115.58 121.36 1siy h ASN 33 Ca -0.00 -0.46 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1siy h ASN 33 Cb 0.04 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1siy h ASN 33 CO 0.00 0.45 0.00 0.40 -1.29 0.00 0.00 177.43 176.99 1siy h ILE 34 N -0.53 0.00 0.00 2.81 5.03 -0.47 0.13 117.51 124.48 1siy h ILE 34 Ca -0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 1siy h ILE 34 Cb 0.49 1.19 0.00 0.00 -3.03 0.00 0.00 36.82 35.47 1siy h ILE 34 CO 0.01 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.66 1siy n LEU 35 N -2.94 0.11 0.03 1.44 4.32 -0.33 -4.44 117.00 115.18 1siy n LEU 35 Ca -0.01 0.17 -0.19 0.00 -0.02 0.00 0.00 56.01 55.96 1siy n LEU 35 Cb 0.19 -0.45 -0.13 0.00 -1.62 0.00 0.00 43.42 41.41 1siy n LEU 35 CO 0.22 -0.45 0.15 0.78 -1.22 0.00 0.00 177.39 176.87 1siy h ASN 36 N 0.00 0.49 0.24 -1.43 4.21 -0.53 -3.28 115.58 115.28 1siy h ASN 36 Ca 0.00 -0.86 0.00 0.00 1.21 0.00 0.00 56.30 56.65 1siy h ASN 36 Cb 0.00 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.04 1siy h ASN 36 CO 0.00 1.30 0.00 -1.20 -1.29 0.00 0.00 177.43 176.24 1siy n SER 37 N -4.18 0.00 -4.67 5.81 7.64 0.28 -4.74 113.62 113.75 1siy n SER 37 Ca -0.12 -0.45 -0.49 0.00 1.01 0.00 0.00 58.87 58.82 1siy n SER 37 Cb 0.75 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 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 -1.14 3.28 0.24 6.43 2.88 -0.15 -4.83 113.62 120.32 1siy n SER 38 Ca 0.16 0.94 0.07 0.00 -1.33 0.00 0.00 58.87 58.72 1siy n SER 38 Cb 0.14 -1.34 0.59 0.00 -0.75 0.00 0.00 64.21 62.86 1siy n SER 38 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1siy h ARG 39 N 9.27 0.00 0.00 -1.46 9.65 -1.90 -3.47 114.38 126.47 1siy h ARG 39 Ca -0.47 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 58.52 1siy h ARG 39 Cb 1.28 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 1siy h ARG 39 CO 0.95 0.10 0.32 -2.37 2.80 0.00 0.00 179.97 181.78 1siy n THR 40 N -4.32 0.00 0.07 0.20 5.66 -1.26 -4.95 114.28 109.68 1siy n THR 40 Ca -0.03 -0.10 -0.06 0.00 -3.05 0.00 0.00 64.05 60.81 1siy n THR 40 Cb 0.18 0.24 0.09 0.00 -1.55 0.00 0.00 70.33 69.29 1siy n THR 40 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1siy h THR 41 N 1.38 1.39 0.00 1.09 2.02 -1.98 0.35 112.91 117.17 1siy h THR 41 Ca -0.09 -2.06 -0.00 0.00 0.77 0.00 0.00 66.41 65.03 1siy h THR 41 Cb 0.46 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1siy h THR 41 CO 0.12 0.61 -0.01 0.00 0.37 0.00 0.00 175.52 176.61 1siy h ALA 42 N 1.12 1.11 0.10 6.16 0.00 -2.00 0.17 119.26 125.93 1siy h ALA 42 Ca -0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1siy h ALA 42 Cb 1.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1siy h ALA 42 CO 0.10 0.02 -1.40 0.22 0.00 0.00 0.00 179.25 178.19 1siy h ASP 43 N 0.00 0.34 -0.38 0.00 1.82 -1.64 -3.28 116.42 113.28 1siy h ASP 43 Ca -0.00 -0.83 0.06 0.00 -0.39 0.00 0.00 57.03 55.87 1siy h ASP 43 Cb 0.12 -0.11 -0.05 0.00 0.68 0.00 0.00 39.33 39.97 1siy h ASP 43 CO 0.00 1.61 0.07 -0.09 -1.61 0.00 0.00 179.24 179.22 1siy h ARG 44 N -0.36 0.18 0.12 0.28 9.65 0.63 0.53 114.38 125.41 1siy h ARG 44 Ca -0.31 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.55 1siy h ARG 44 Cb 1.72 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.26 1siy h ARG 44 CO 0.03 0.12 -0.06 0.00 2.80 0.00 0.00 179.97 182.87 1siy h ARG 45 N 0.19 -0.16 -0.34 0.20 3.08 -0.87 -2.42 114.38 114.06 1siy h ARG 45 Ca 0.18 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.11 1siy h ARG 45 Cb 0.22 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1siy h ARG 45 CO -0.25 -0.04 -0.31 0.00 -1.07 0.00 0.00 179.97 178.30 1siy h ALA 46 N 0.63 0.49 -0.80 0.04 0.00 -1.53 -1.19 119.26 116.91 1siy h ALA 46 Ca -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1siy h ALA 46 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1siy h ALA 46 CO 0.03 0.53 0.53 -0.24 0.00 0.00 0.00 179.25 180.09 1siy h VAL 47 N 0.58 1.15 -0.23 0.00 3.04 0.03 0.29 116.25 121.11 1siy h VAL 47 Ca 0.06 -0.35 -0.07 0.00 -1.01 0.00 0.00 66.70 65.33 1siy h VAL 47 Cb 0.89 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 1siy h VAL 47 CO 0.08 0.18 -0.12 0.00 -1.01 0.00 0.00 177.57 176.70 1siy h SER 49 N 0.20 0.79 -0.00 0.00 0.02 -0.24 0.96 113.55 115.28 1siy h SER 49 Ca 0.05 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1siy h SER 49 Cb 0.63 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1siy h SER 49 CO 0.04 0.62 -0.47 0.00 -1.14 0.00 0.00 176.83 175.88 1siy h LEU 51 N -0.24 0.13 -0.78 0.00 8.10 0.00 -0.91 115.31 121.61 1siy h LEU 51 Ca -0.06 -0.03 -0.06 0.00 0.11 0.00 0.00 57.88 57.84 1siy h LEU 51 Cb 1.20 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 1siy h LEU 51 CO 0.09 0.36 -0.27 0.07 -4.11 0.00 0.00 178.44 174.59 1siy h LYS 52 N 0.12 0.00 0.04 0.17 2.10 -0.90 0.19 116.57 118.28 1siy h LYS 52 Ca 0.02 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.45 1siy h LYS 52 Cb 0.47 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1siy h LYS 52 CO 0.03 0.27 -1.02 0.00 -2.00 0.00 0.00 179.45 176.73 1siy h ALA 53 N 1.73 0.34 -0.32 0.07 0.00 -1.24 -1.15 119.26 118.69 1siy h ALA 53 Ca -0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 54.91 53.97 1siy h ALA 53 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1siy h ALA 53 CO 0.03 1.08 -0.14 0.00 0.00 0.00 0.00 179.25 180.23 1siy h ALA 54 N 0.90 0.45 0.00 0.00 0.00 -0.67 0.63 119.26 120.57 1siy h ALA 54 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1siy h ALA 54 Cb 1.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1siy h ALA 54 CO 0.15 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1siy n ALA 55 N -2.44 1.92 0.62 0.00 0.00 0.60 -2.23 120.51 118.99 1siy n ALA 55 Ca -0.03 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1siy n ALA 55 Cb 0.37 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 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 0.58 -0.48 0.53 0.00 0.00 -0.44 -4.28 105.19 101.09 1siy n GLY 56 Ca 0.05 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.45 2.79 -1.80 4.61 0.00 0.21 -4.97 120.51 119.90 1siy n ALA 57 Ca 0.02 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 1siy n ALA 57 Cb 0.26 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.18 2.23 -0.33 0.00 -7.23 -1.12 -5.00 120.40 106.78 1siy s VAL 58 Ca 0.30 0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.67 1siy s VAL 58 Cb 0.20 -3.12 0.10 0.00 0.56 0.00 0.00 36.38 34.12 1siy s VAL 58 CO 0.40 0.02 0.08 -0.60 -0.31 0.00 0.00 175.10 174.69 1siy s ARG 59 N 0.06 1.08 0.00 4.82 3.52 -1.26 -4.70 118.95 122.48 1siy s ARG 59 Ca 0.66 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1siy s ARG 59 Cb -0.47 -2.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1siy s ARG 59 CO 0.42 -0.97 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 1siy n GLY 60 N 4.54 0.55 0.00 8.12 0.00 -1.26 -4.98 105.19 112.15 1siy n GLY 60 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1siy n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1siy n ILE 61 N -2.79 0.00 -0.04 -0.61 2.08 -1.26 -4.67 119.36 112.07 1siy n ILE 61 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1siy n ILE 61 Cb 0.00 -0.42 0.00 0.00 -0.75 0.00 0.00 39.64 38.47 1siy n ILE 61 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1siy n ASN 62 N -0.80 -0.07 0.00 4.38 3.02 -1.25 -4.20 115.26 116.34 1siy n ASN 62 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1siy n ASN 62 Cb 0.00 -0.03 0.35 0.00 -0.61 0.00 0.00 39.78 39.49 1siy n ASN 62 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1siy n PRO 63 N 2.16 0.06 -0.33 3.52 -0.05 -1.26 -1.31 135.00 137.79 1siy n PRO 63 Ca 0.00 0.20 0.11 0.00 -0.05 0.00 0.00 63.50 63.77 1siy n PRO 63 Cb 0.00 -1.50 0.32 0.00 -0.05 0.00 0.00 33.50 32.27 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 0.78 0.85 3.54 -0.00 -1.93 0.35 115.58 119.17 1siy h ASN 64 Ca 0.00 0.07 -0.19 0.00 -0.00 0.00 0.00 56.30 56.18 1siy h ASN 64 Cb 0.24 -0.08 -0.02 0.00 -0.00 0.00 0.00 38.32 38.45 1siy h ASN 64 CO 0.00 0.35 -0.88 0.78 -0.00 0.00 0.00 177.43 177.67 1siy h ASN 65 N 0.80 0.03 0.83 1.15 2.35 -1.47 -0.95 115.58 118.31 1siy h ASN 65 Ca 0.52 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 56.13 1siy h ASN 65 Cb 0.76 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1siy h ASN 65 CO -0.30 0.89 -0.57 0.00 -1.65 0.00 0.00 177.43 175.81 1siy h ALA 66 N 1.10 0.88 0.00 -0.83 0.00 -1.29 0.65 119.26 119.77 1siy h ALA 66 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1siy h ALA 66 Cb 1.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1siy h ALA 66 CO 0.12 0.71 -0.82 1.49 0.00 0.00 0.00 179.25 180.75 1siy h GLU 67 N 0.00 0.00 0.00 0.00 4.81 -0.31 -3.17 114.58 115.92 1siy h GLU 67 Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1siy h GLU 67 Cb 1.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1siy h GLU 67 CO 0.07 0.07 -0.40 0.00 -0.73 0.00 0.00 179.01 178.03 1siy h ALA 68 N 1.88 0.80 -0.14 2.92 0.00 -0.88 -3.35 119.26 120.49 1siy h ALA 68 Ca -0.02 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1siy h ALA 68 Cb 1.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1siy h ALA 68 CO 0.01 0.50 -0.12 1.25 0.00 0.00 0.00 179.25 180.89 1siy h LEU 69 N 0.00 -0.38 -2.04 0.00 5.85 -0.84 -1.42 115.31 116.48 1siy h LEU 69 Ca -0.00 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.91 1siy h LEU 69 Cb 1.18 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1siy h LEU 69 CO 0.05 -0.16 0.34 -0.65 -0.34 0.00 0.00 178.44 177.68 1siy h PRO 70 N -0.14 0.00 -0.06 5.25 0.11 -1.71 -1.10 132.00 134.35 1siy h PRO 70 Ca 0.09 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.00 1siy h PRO 70 Cb 0.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.40 1siy h PRO 70 CO -0.23 0.00 -0.78 0.78 -0.21 0.00 0.00 178.00 177.56 1siy h GLY 71 N 0.00 0.70 1.08 -0.55 0.00 -1.47 0.82 103.07 103.64 1siy h GLY 71 Ca 0.20 -1.11 -0.11 0.00 0.00 0.00 0.00 47.33 46.30 1siy h GLY 71 CO -0.00 0.99 -0.10 0.50 0.00 0.00 0.00 176.54 177.92 1siy h LYS 72 N 0.27 1.01 -0.18 4.80 1.79 -0.60 -2.58 116.57 121.08 1siy h LYS 72 Ca -0.08 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1siy h LYS 72 Cb 1.44 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1siy h LYS 72 CO 0.16 1.06 0.00 0.00 -1.08 0.00 0.00 179.45 179.58 1siy n GLY 74 N 0.98 -0.28 0.00 0.00 0.00 -0.97 -4.96 105.19 99.96 1siy n GLY 74 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.87 0.00 -1.04 1.61 0.24 0.26 -5.04 118.33 110.48 1siy n VAL 75 Ca -0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1siy n VAL 75 Cb 0.64 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 -0.13 -6.07 -4.32 -1.34 2.85 -1.17 -4.96 115.26 100.12 1siy n ASN 76 Ca 0.00 0.78 -0.17 0.00 -0.11 0.00 0.00 54.58 55.08 1siy n ASN 76 Cb 0.00 -2.56 -0.10 0.00 1.24 0.00 0.00 39.78 38.36 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 -2.16 0.61 0.14 -1.44 -0.00 -1.26 -5.07 121.20 112.01 1siy s ILE 77 Ca 0.00 -2.00 -0.26 0.00 -0.00 0.00 0.00 60.65 58.39 1siy s ILE 77 Cb 0.00 -2.63 -0.02 0.00 -0.00 0.00 0.00 42.46 39.81 1siy s ILE 77 CO 0.00 -0.02 1.60 -0.65 -0.00 0.00 0.00 174.94 175.88 1siy h PRO 78 N 2.37 -0.39 -7.42 0.37 0.11 -1.98 -3.42 132.00 121.65 1siy h PRO 78 Ca -0.38 0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.27 1siy h PRO 78 Cb 1.25 0.09 0.11 0.00 0.11 0.00 0.00 31.00 32.55 1siy h PRO 78 CO 0.61 -0.26 0.34 1.52 -0.21 0.00 0.00 178.00 180.01 1siy s TYR 79 N -5.97 2.87 0.42 0.65 -0.85 -1.26 -5.08 117.35 108.13 1siy s TYR 79 Ca -0.15 1.13 0.03 0.00 -0.52 0.00 0.00 57.07 57.55 1siy s TYR 79 Cb 0.11 -3.13 -0.01 0.00 0.38 0.00 0.00 41.96 39.31 1siy s TYR 79 CO 0.66 -1.74 0.09 1.63 -1.52 0.00 0.00 175.55 174.68 1siy n LYS 80 N -3.40 0.67 0.13 -3.49 4.76 -1.26 -5.03 118.16 110.54 1siy n LYS 80 Ca 0.07 -3.39 0.12 0.00 -2.87 0.00 0.00 58.31 52.24 1siy n LYS 80 Cb 0.56 1.51 0.24 0.00 -1.84 0.00 0.00 35.03 35.51 1siy n LYS 80 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1siy h ILE 81 N 1.51 0.00 -2.66 -0.18 1.08 -1.92 -3.45 117.51 111.89 1siy h ILE 81 Ca -0.34 -0.69 -0.53 0.00 -0.39 0.00 0.00 64.86 62.90 1siy h ILE 81 Cb 1.18 1.55 0.06 0.00 -3.07 0.00 0.00 36.82 36.55 1siy h ILE 81 CO 0.55 0.00 0.96 -0.24 -0.69 0.00 0.00 178.15 178.72 1siy n SER 82 N -2.53 3.82 -1.31 1.72 2.88 -1.26 -4.83 113.62 112.11 1siy n SER 82 Ca 0.04 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1siy n SER 82 Cb 0.48 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1siy n SER 82 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1siy n THR 83 N 3.64 1.26 0.49 2.46 -2.24 -1.26 -3.22 114.28 115.41 1siy n THR 83 Ca 0.15 -0.22 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1siy n THR 83 Cb 0.34 -1.17 -0.09 0.00 -2.10 0.00 0.00 70.33 67.30 1siy n THR 83 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1siy n SER 84 N 1.11 0.94 -4.81 3.42 3.41 -1.26 -4.99 113.62 111.43 1siy n SER 84 Ca 0.00 -0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 57.66 1siy n SER 84 Cb 0.41 1.20 -0.06 0.00 -0.26 0.00 0.00 64.21 65.50 1siy n SER 84 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1siy s THR 85 N -2.57 4.47 -0.60 6.66 -1.32 -1.20 -5.02 115.64 116.06 1siy s THR 85 Ca 0.02 1.39 -0.18 0.00 -1.21 0.00 0.00 61.69 61.72 1siy s THR 85 Cb 0.11 -3.81 0.12 0.00 -1.51 0.00 0.00 72.50 67.41 1siy s THR 85 CO 0.61 0.03 0.66 0.21 -2.21 0.00 0.00 174.62 173.92 1siy s ASN 86 N -1.85 6.24 0.60 8.08 2.47 -1.26 -4.91 114.94 124.31 1siy s ASN 86 Ca 0.50 -1.66 0.38 0.00 0.42 0.00 0.00 52.86 52.50 1siy s ASN 86 Cb -0.15 -2.27 1.80 0.00 -1.45 0.00 0.00 41.25 39.18 1siy s ASN 86 CO 0.20 -1.00 2.14 0.00 -3.72 0.00 0.00 177.10 174.72 1siy n ASN 88 N -3.11 0.63 -0.43 0.00 4.13 -1.26 -3.11 115.26 112.11 1siy n ASN 88 Ca -0.01 -1.87 0.00 0.00 1.68 0.00 0.00 54.58 54.39 1siy n ASN 88 Cb 0.21 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1siy n ASN 88 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1siy n SER 89 N -0.22 0.00 -4.92 6.41 7.64 -0.81 -5.11 113.62 116.61 1siy n SER 89 Ca 0.07 -1.49 -0.27 0.00 1.01 0.00 0.00 58.87 58.19 1siy n SER 89 Cb 0.12 -0.10 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 1siy n SER 89 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1siy s ILE 90 N 0.00 2.35 0.00 0.44 -4.36 -1.10 -5.03 121.20 113.50 1siy s ILE 90 Ca 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.24 1siy s ILE 90 Cb 0.00 -3.05 0.00 0.00 1.25 0.00 0.00 42.46 40.66 1siy s ILE 90 CO 0.00 -0.06 0.00 -3.20 0.24 0.00 0.00 174.94 171.92