#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 0.01 0.00 1.12 -2.24 -1.26 -4.95 114.28 106.96 1siy n THR 2 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1siy n THR 2 Cb 0.00 1.79 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 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 0.00 1.60 0.00 0.00 -1.99 -0.98 103.07 101.71 1siy h GLY 4 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1siy h GLY 4 CO 0.00 0.00 -0.30 -1.61 0.00 0.00 0.00 176.54 174.63 1siy h GLN 5 N 0.00 0.46 -0.53 4.80 -0.00 -1.93 -2.57 115.11 115.35 1siy h GLN 5 Ca -0.01 -0.19 -0.07 0.00 -0.00 0.00 0.00 58.65 58.39 1siy h GLN 5 Cb 1.29 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.73 1siy h GLN 5 CO 0.07 0.72 0.07 0.28 0.00 0.00 0.00 178.83 179.97 1siy h VAL 6 N 0.40 1.25 -0.39 2.39 2.07 -1.79 -2.59 116.25 117.60 1siy h VAL 6 Ca 0.05 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.69 1siy h VAL 6 Cb 0.73 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1siy h VAL 6 CO 0.06 0.35 0.27 1.56 0.02 0.00 0.00 177.57 179.83 1siy h GLN 7 N 0.76 0.09 0.00 1.57 4.20 -0.90 0.31 115.11 121.14 1siy h GLN 7 Ca 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1siy h GLN 7 Cb 0.43 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1siy h GLN 7 CO 0.01 0.06 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 1siy n GLY 8 N -1.59 -0.67 0.05 3.46 0.00 -0.97 0.21 105.19 105.67 1siy n GLY 8 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1siy n GLY 8 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1siy h ASN 9 N 0.00 0.00 1.85 1.61 -0.73 -1.05 -3.36 115.58 113.90 1siy h ASN 9 Ca 0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1siy h ASN 9 Cb 0.09 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.68 1siy h ASN 9 CO 0.00 0.48 -0.15 -0.07 -0.37 0.00 0.00 177.43 177.32 1siy h LEU 10 N -0.67 0.00 -0.31 0.34 -0.00 -1.49 -2.39 115.31 110.80 1siy h LEU 10 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1siy h LEU 10 Cb 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1siy h LEU 10 CO 0.00 0.08 -0.11 0.00 -0.00 0.00 0.00 178.44 178.41 1siy h ALA 11 N 1.92 0.94 0.14 1.53 0.00 -0.51 0.39 119.26 123.67 1siy h ALA 11 Ca -0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 1siy h ALA 11 Cb 1.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1siy h ALA 11 CO 0.01 0.14 -1.89 1.96 0.00 0.00 0.00 179.25 179.47 1siy h GLN 12 N 0.00 0.30 0.00 0.00 7.50 -1.68 -3.36 115.11 117.87 1siy h GLN 12 Ca -0.00 -0.51 -0.06 0.00 0.50 0.00 0.00 58.65 58.58 1siy h GLN 12 Cb 0.98 0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.69 1siy h GLN 12 CO 0.01 1.24 -0.31 0.00 -1.50 0.00 0.00 178.83 178.28 1siy h ILE 14 N 0.00 0.43 0.00 0.00 2.04 -1.06 0.68 117.51 119.60 1siy h ILE 14 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1siy h ILE 14 Cb 1.02 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1siy h ILE 14 CO 0.04 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.83 1siy n GLY 15 N -1.62 -0.51 0.00 5.37 0.00 -1.22 -0.54 105.19 106.67 1siy n GLY 15 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1siy n GLY 15 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1siy n PHE 16 N -0.54 0.00 -0.10 1.61 1.16 0.19 -4.22 117.46 115.57 1siy n PHE 16 Ca 0.01 0.00 0.24 0.00 -1.87 0.00 0.00 57.45 55.83 1siy n PHE 16 Cb 0.00 0.00 0.69 0.00 -1.61 0.00 0.00 39.48 38.57 1siy n PHE 16 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1siy h LEU 17 N 0.00 0.03 0.00 5.98 5.85 0.42 0.12 115.31 127.72 1siy h LEU 17 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1siy h LEU 17 Cb 0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1siy h LEU 17 CO 0.00 0.01 -0.79 1.67 -0.34 0.00 0.00 178.44 179.00 1siy n GLN 18 N -4.33 0.47 -1.01 1.25 7.27 0.30 0.02 117.38 121.35 1siy n GLN 18 Ca 0.14 0.29 0.05 0.00 0.07 0.00 0.00 57.00 57.56 1siy n GLN 18 Cb 0.78 -1.45 0.10 0.00 2.41 0.00 0.00 30.24 32.08 1siy n GLN 18 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1siy n LYS 19 N -4.36 0.72 -0.20 3.69 5.02 -1.22 -4.08 118.16 117.72 1siy n LYS 19 Ca -0.11 -2.51 0.00 0.00 -2.02 0.00 0.00 58.31 53.67 1siy n LYS 19 Cb 0.41 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.65 1siy n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1siy n GLY 20 N -0.29 7.34 2.12 0.72 0.00 0.43 -4.87 105.19 110.65 1siy n GLY 20 Ca 0.12 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 5.00 -1.59 3.74 -0.02 0.00 -1.26 -4.81 105.19 106.25 1siy n GLY 21 Ca 0.00 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.57 2.44 -0.24 1.61 0.11 -1.26 -4.99 120.40 116.50 1siy s VAL 22 Ca 0.00 0.35 -0.18 0.00 -2.93 0.00 0.00 61.98 59.23 1siy s VAL 22 Cb 0.00 -3.23 -0.03 0.00 -1.53 0.00 0.00 36.38 31.59 1siy s VAL 22 CO 0.00 0.05 0.49 -0.69 -3.33 0.00 0.00 175.10 171.62 1siy s VAL 23 N 0.36 5.10 0.40 2.04 1.01 -1.26 -4.80 120.40 123.25 1siy s VAL 23 Ca 0.64 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 63.26 1siy s VAL 23 Cb -0.44 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 1siy s VAL 23 CO 0.41 0.14 0.92 -2.84 0.00 0.00 0.00 175.10 173.73 1siy s PRO 24 N 1.99 4.28 0.29 2.72 0.02 -1.26 -4.96 135.00 138.07 1siy s PRO 24 Ca 0.21 1.11 0.23 0.00 0.02 0.00 0.00 61.00 62.57 1siy s PRO 24 Cb -0.15 -2.33 1.07 0.00 0.02 0.00 0.00 34.50 33.10 1siy s PRO 24 CO 0.09 0.05 1.69 -0.35 -0.33 0.00 0.00 177.00 178.15 1siy n PRO 25 N -0.37 0.17 -0.04 5.54 -0.04 -1.26 -1.64 135.00 137.36 1siy n PRO 25 Ca 0.06 0.52 -0.13 0.00 -0.04 0.00 0.00 63.50 63.90 1siy n PRO 25 Cb 0.53 -1.91 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 1siy n PRO 25 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1siy h SER 26 N 0.00 -0.00 -0.50 3.54 0.02 -1.94 0.21 113.55 114.88 1siy h SER 26 Ca 0.00 -0.77 0.09 0.00 -0.84 0.00 0.00 61.79 60.27 1siy h SER 26 Cb 0.20 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 1siy h SER 26 CO 0.00 0.77 0.09 0.00 -1.14 0.00 0.00 176.83 176.55 1siy h THR 29 N 0.69 1.20 -0.39 0.00 2.02 -0.14 0.00 112.91 116.29 1siy h THR 29 Ca 0.27 -0.38 -0.16 0.00 0.77 0.00 0.00 66.41 66.91 1siy h THR 29 Cb 0.10 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1siy h THR 29 CO -0.14 0.20 -0.37 1.23 0.37 0.00 0.00 175.52 176.81 1siy h GLY 30 N 1.11 1.03 1.30 2.16 0.00 -0.07 0.80 103.07 109.40 1siy h GLY 30 Ca 0.31 -1.04 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 1siy h GLY 30 CO -0.07 0.94 0.08 -2.08 0.00 0.00 0.00 176.54 175.41 1siy h VAL 31 N 0.76 1.24 0.00 4.60 2.07 -0.72 -0.63 116.25 123.58 1siy h VAL 31 Ca 0.06 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1siy h VAL 31 Cb 0.96 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1siy h VAL 31 CO 0.09 0.34 -0.17 0.11 0.02 0.00 0.00 177.57 177.96 1siy h LYS 32 N 0.82 0.00 0.09 1.57 1.79 -0.63 -1.44 116.57 118.77 1siy h LYS 32 Ca 0.17 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1siy h LYS 32 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1siy h LYS 32 CO 0.01 0.17 -0.05 -0.91 -1.08 0.00 0.00 179.45 177.60 1siy h ASN 33 N 0.00 -0.11 0.58 0.86 2.35 0.68 0.58 115.58 120.53 1siy h ASN 33 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1siy h ASN 33 Cb 0.34 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1siy h ASN 33 CO 0.02 0.21 0.00 -0.38 -1.65 0.00 0.00 177.43 175.63 1siy n ILE 34 N -5.00 0.83 -0.01 2.81 -0.00 -0.75 -0.53 119.36 116.71 1siy n ILE 34 Ca -0.08 0.21 -0.01 0.00 -0.00 0.00 0.00 62.75 62.87 1siy n ILE 34 Cb 0.20 -0.92 -0.00 0.00 -0.00 0.00 0.00 39.64 38.92 1siy n ILE 34 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1siy n LEU 35 N -1.50 0.20 0.03 1.39 4.32 -0.57 -4.39 117.00 116.47 1siy n LEU 35 Ca 0.04 0.11 -0.19 0.00 -0.02 0.00 0.00 56.01 55.95 1siy n LEU 35 Cb 0.20 -0.53 -0.12 0.00 -1.62 0.00 0.00 43.42 41.35 1siy n LEU 35 CO 0.16 -0.48 0.14 0.78 -1.22 0.00 0.00 177.39 176.77 1siy h ASN 36 N -0.10 0.58 -0.00 -1.43 4.21 0.11 -3.25 115.58 115.70 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 0.09 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 1siy h ASN 36 CO 0.00 1.34 0.00 -1.20 -1.29 0.00 0.00 177.43 176.28 1siy n SER 37 N -4.12 0.28 -4.60 5.81 7.64 0.31 -4.68 113.62 114.27 1siy n SER 37 Ca -0.12 -1.12 -0.42 0.00 1.01 0.00 0.00 58.87 58.22 1siy n SER 37 Cb 0.77 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 1siy n SER 37 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1siy s SER 38 N -1.97 5.53 0.16 6.43 0.15 -0.46 -4.83 113.70 118.70 1siy s SER 38 Ca 0.45 1.60 -0.14 0.00 0.70 0.00 0.00 55.95 58.56 1siy s SER 38 Cb 0.21 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 62.06 1siy s SER 38 CO 0.35 -1.95 1.79 -0.09 1.20 0.00 0.00 173.24 174.54 1siy h ARG 39 N 14.63 0.69 0.00 5.44 2.43 -1.91 -3.48 114.38 132.19 1siy h ARG 39 Ca -0.37 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1siy h ARG 39 Cb 1.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1siy h ARG 39 CO 1.00 0.52 0.00 -2.37 -1.51 0.00 0.00 179.97 177.61 1siy n THR 40 N -4.67 0.00 -0.15 0.20 5.66 -1.26 -4.98 114.28 109.07 1siy n THR 40 Ca 0.02 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.97 1siy n THR 40 Cb 0.07 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.98 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 0.88 1.24 0.00 1.09 2.02 -1.99 0.24 112.91 116.40 1siy h THR 41 Ca 0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1siy h THR 41 Cb 0.00 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1siy h THR 41 CO 0.00 0.35 0.00 0.00 0.37 0.00 0.00 175.52 176.24 1siy h ALA 42 N 1.23 1.00 0.14 6.16 0.00 -1.97 -1.26 119.26 124.55 1siy h ALA 42 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.73 1siy h ALA 42 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1siy h ALA 42 CO 0.01 0.00 -1.86 0.22 0.00 0.00 0.00 179.25 177.62 1siy h ASP 43 N 0.00 0.46 0.60 0.00 1.82 -1.48 -3.33 116.42 114.50 1siy h ASP 43 Ca 0.00 -0.86 -0.03 0.00 -0.39 0.00 0.00 57.03 55.75 1siy h ASP 43 Cb 0.17 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.03 1siy h ASP 43 CO 0.00 1.75 -0.29 -0.09 -1.61 0.00 0.00 179.24 179.01 1siy h ARG 44 N 0.08 -0.78 -0.56 0.28 2.43 0.11 0.35 114.38 116.29 1siy h ARG 44 Ca -0.37 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1siy h ARG 44 Cb 2.06 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.78 1siy h ARG 44 CO 0.13 -0.47 0.00 2.89 -1.51 0.00 0.00 179.97 181.01 1siy n ARG 45 N -5.38 1.50 -0.04 0.20 1.85 -0.78 -2.93 116.66 111.08 1siy n ARG 45 Ca -0.12 -0.51 -0.06 0.00 -1.00 0.00 0.00 57.85 56.16 1siy n ARG 45 Cb 0.35 -1.39 -0.04 0.00 -1.05 0.00 0.00 32.46 30.33 1siy n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1siy n ALA 46 N 0.00 1.81 0.22 2.89 0.00 -1.02 -4.45 120.51 119.95 1siy n ALA 46 Ca 0.05 -0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.16 1siy n ALA 46 Cb 0.27 0.28 0.53 0.00 0.00 0.00 0.00 19.45 20.53 1siy n ALA 46 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1siy h VAL 47 N 0.00 1.10 -0.19 0.00 3.04 -0.19 -1.57 116.25 118.44 1siy h VAL 47 Ca -0.20 -0.44 -0.19 0.00 -1.01 0.00 0.00 66.70 64.86 1siy h VAL 47 Cb 1.32 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1siy h VAL 47 CO -0.03 0.13 -0.65 0.00 -1.01 0.00 0.00 177.57 176.02 1siy h SER 49 N 0.51 0.92 0.75 0.00 0.87 -1.57 -1.62 113.55 113.41 1siy h SER 49 Ca -0.01 -0.16 -0.25 0.00 -1.23 0.00 0.00 61.79 60.13 1siy h SER 49 Cb 1.24 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1siy h SER 49 CO 0.13 0.87 -1.23 0.00 -0.53 0.00 0.00 176.83 176.06 1siy h LEU 51 N 0.03 0.56 -2.15 0.00 7.12 0.11 0.22 115.31 121.20 1siy h LEU 51 Ca -0.11 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 1siy h LEU 51 Cb 1.90 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 42.06 1siy h LEU 51 CO 0.15 0.06 -0.03 0.50 -0.13 0.00 0.00 178.44 178.99 1siy h LYS 52 N 0.47 0.00 0.00 1.25 3.64 -1.23 0.58 116.57 121.27 1siy h LYS 52 Ca 0.64 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.88 1siy h LYS 52 Cb 1.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 1siy h LYS 52 CO -0.42 0.03 -1.36 0.00 -2.27 0.00 0.00 179.45 175.44 1siy n ALA 53 N -2.42 2.02 -0.03 5.00 0.00 0.68 -1.36 120.51 124.40 1siy n ALA 53 Ca -0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 1siy n ALA 53 Cb 0.12 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 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 1.51 -0.03 0.00 0.00 0.00 -0.31 0.24 119.26 120.67 1siy h ALA 54 Ca -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1siy h ALA 54 Cb 1.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1siy h ALA 54 CO 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1siy n ALA 55 N -2.52 2.46 0.63 0.00 0.00 0.19 -2.10 120.51 119.17 1siy n ALA 55 Ca -0.09 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.27 1siy n ALA 55 Cb 0.35 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 0.89 0.06 0.03 0.00 0.00 -0.46 -4.21 105.19 101.50 1siy n GLY 56 Ca 0.17 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 0.75 3.68 -1.47 4.61 0.00 0.07 -4.93 120.51 123.22 1siy n ALA 57 Ca 0.09 -0.40 -0.52 0.00 0.00 0.00 0.00 53.44 52.61 1siy n ALA 57 Cb 0.37 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.40 0.21 -3.97 0.00 0.24 -1.24 -4.94 118.33 107.23 1siy n VAL 58 Ca 0.06 -0.20 -0.31 0.00 -2.04 0.00 0.00 64.34 61.85 1siy n VAL 58 Cb 0.34 -1.51 -0.15 0.00 -1.47 0.00 0.00 33.84 31.04 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 5.76 1.55 -0.02 7.34 3.52 -1.26 -4.61 118.95 131.22 1siy s ARG 59 Ca 1.08 -1.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1siy s ARG 59 Cb -0.93 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1siy s ARG 59 CO 0.53 -0.81 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 1siy n GLY 60 N 4.45 0.36 3.84 8.12 0.00 -1.26 -5.04 105.19 115.67 1siy n GLY 60 Ca -0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1siy n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1siy s ILE 61 N -2.01 2.75 -0.27 -0.61 1.10 -1.26 -4.65 121.20 116.25 1siy s ILE 61 Ca 0.00 0.24 -0.01 0.00 -0.51 0.00 0.00 60.65 60.37 1siy s ILE 61 Cb 0.00 -3.11 0.04 0.00 0.15 0.00 0.00 42.46 39.53 1siy s ILE 61 CO 0.00 -0.32 -0.04 0.20 -2.11 0.00 0.00 174.94 172.67 1siy s ASN 62 N -4.20 4.53 0.23 4.50 0.02 0.10 -4.94 114.94 115.18 1siy s ASN 62 Ca 0.61 -1.04 -0.08 0.00 -1.02 0.00 0.00 52.86 51.33 1siy s ASN 62 Cb -0.13 -1.68 0.20 0.00 0.02 0.00 0.00 41.25 39.66 1siy s ASN 62 CO 0.52 -0.18 1.86 -0.65 0.02 0.00 0.00 177.10 178.68 1siy h PRO 63 N 7.99 1.19 -0.07 -0.60 0.11 -1.97 -2.52 132.00 136.14 1siy h PRO 63 Ca -0.28 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 1siy h PRO 63 Cb 1.09 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1siy h PRO 63 CO 0.55 0.84 -0.34 -2.95 -0.21 0.00 0.00 178.00 175.90 1siy h ASN 64 N 1.20 0.13 1.23 -2.05 7.08 -1.95 -1.47 115.58 119.74 1siy h ASN 64 Ca 0.31 -0.04 0.00 0.00 -3.08 0.00 0.00 56.30 53.49 1siy h ASN 64 Cb -0.03 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.18 1siy h ASN 64 CO -0.06 0.46 0.00 0.78 -2.08 0.00 0.00 177.43 176.54 1siy h ASN 65 N 0.11 0.00 0.04 6.14 4.21 -1.78 -3.09 115.58 121.22 1siy h ASN 65 Ca 0.01 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 1siy h ASN 65 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1siy h ASN 65 CO 0.05 0.00 -0.02 0.00 -1.29 0.00 0.00 177.43 176.17 1siy h ALA 66 N 2.10 -0.06 -0.04 -0.83 0.00 -0.94 -2.77 119.26 116.72 1siy h ALA 66 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1siy h ALA 66 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1siy h ALA 66 CO 0.00 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.26 1siy n GLU 67 N -4.97 1.20 0.04 0.00 1.02 -1.22 -3.50 120.64 113.22 1siy n GLU 67 Ca -0.08 -0.30 -0.19 0.00 -0.02 0.00 0.00 57.16 56.57 1siy n GLU 67 Cb 0.18 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 1siy n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1siy h ALA 68 N 3.77 0.34 -0.72 0.62 0.00 -1.41 -3.37 119.26 118.50 1siy h ALA 68 Ca 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 54.91 53.61 1siy h ALA 68 Cb 0.14 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1siy h ALA 68 CO 0.00 1.21 0.21 1.37 0.00 0.00 0.00 179.25 182.03 1siy h LEU 69 N 0.07 1.06 0.00 0.00 8.10 -1.58 -0.82 115.31 122.15 1siy h LEU 69 Ca -0.32 -0.21 0.00 0.00 0.11 0.00 0.00 57.88 57.46 1siy h LEU 69 Cb 2.04 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 41.99 1siy h LEU 69 CO 0.14 1.00 0.00 -0.81 -4.11 0.00 0.00 178.44 174.66 1siy n PRO 70 N -4.24 0.13 -0.10 0.17 -0.04 -1.26 -1.93 135.00 127.73 1siy n PRO 70 Ca 0.06 0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1siy n PRO 70 Cb 0.24 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1siy n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1siy n GLY 71 N -0.14 -0.61 0.36 0.55 0.00 -0.76 -1.37 105.19 103.24 1siy n GLY 71 Ca 0.05 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1siy n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1siy h LYS 72 N -1.00 0.85 -0.28 1.61 1.79 -1.17 -2.31 116.57 116.07 1siy h LYS 72 Ca -0.13 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1siy h LYS 72 Cb 1.04 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1siy h LYS 72 CO -0.08 0.57 0.00 0.00 -1.08 0.00 0.00 179.45 178.86 1siy n GLY 74 N 1.05 -0.50 0.58 0.00 0.00 -0.87 -4.91 105.19 100.54 1siy n GLY 74 Ca 0.12 0.30 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 1siy n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1siy n VAL 75 N -2.74 1.06 -2.84 1.61 0.31 -0.97 -5.05 118.33 109.72 1siy n VAL 75 Ca -0.06 0.27 -0.01 0.00 -0.01 0.00 0.00 64.34 64.53 1siy n VAL 75 Cb 0.59 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.72 1siy n VAL 75 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1siy n ASN 76 N -3.63 -6.61 -4.06 4.52 5.15 -0.47 -5.05 115.26 105.12 1siy n ASN 76 Ca -0.05 1.16 -0.20 0.00 -0.60 0.00 0.00 54.58 54.89 1siy n ASN 76 Cb 0.19 -4.24 -0.15 0.00 -0.53 0.00 0.00 39.78 35.06 1siy n ASN 76 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1siy s ILE 77 N -1.26 0.88 0.24 -1.44 -4.36 -1.26 -5.04 121.20 108.95 1siy s ILE 77 Ca -0.04 -0.52 -0.05 0.00 -0.26 0.00 0.00 60.65 59.77 1siy s ILE 77 Cb 0.00 -0.74 0.15 0.00 1.25 0.00 0.00 42.46 43.12 1siy s ILE 77 CO 0.56 0.21 1.78 -0.65 0.24 0.00 0.00 174.94 177.08 1siy h PRO 78 N 5.77 1.05 -7.44 0.37 0.11 -2.01 -3.43 132.00 126.42 1siy h PRO 78 Ca -0.33 -0.21 -0.46 0.00 0.11 0.00 0.00 66.00 65.11 1siy h PRO 78 Cb 1.17 -0.16 0.10 0.00 0.11 0.00 0.00 31.00 32.22 1siy h PRO 78 CO 0.49 0.89 0.29 1.52 -0.21 0.00 0.00 178.00 180.98 1siy s TYR 79 N -5.37 2.59 0.25 0.65 -0.85 -1.26 -5.10 117.35 108.27 1siy s TYR 79 Ca -0.11 0.43 0.10 0.00 -0.52 0.00 0.00 57.07 56.96 1siy s TYR 79 Cb 0.15 -3.40 -0.05 0.00 0.38 0.00 0.00 41.96 39.05 1siy s TYR 79 CO 0.83 -1.72 -0.17 0.15 -1.52 0.00 0.00 175.55 173.12 1siy s LYS 80 N -5.42 1.54 0.43 -3.49 -0.14 -1.26 -5.01 119.74 106.40 1siy s LYS 80 Ca 0.63 -1.71 0.20 0.00 -1.36 0.00 0.00 55.97 53.73 1siy s LYS 80 Cb -0.09 -1.48 1.00 0.00 -1.68 0.00 0.00 37.83 35.58 1siy s LYS 80 CO 0.47 0.25 1.91 0.97 -0.76 0.00 0.00 175.35 178.19 1siy h ILE 81 N 2.37 0.91 -2.27 2.17 -0.00 -1.98 -3.44 117.51 115.27 1siy h ILE 81 Ca -0.39 -1.00 -0.61 0.00 -0.00 0.00 0.00 64.86 62.86 1siy h ILE 81 Cb 1.24 1.59 0.07 0.00 -0.00 0.00 0.00 36.82 39.72 1siy h ILE 81 CO 0.62 0.26 0.55 -1.20 -0.00 0.00 0.00 178.15 178.37 1siy n SER 82 N -3.82 2.33 -0.60 2.19 7.64 -1.26 -4.77 113.62 115.33 1siy n SER 82 Ca -0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1siy n SER 82 Cb 0.35 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1siy n SER 82 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1siy n THR 83 N 2.22 0.19 0.72 0.44 5.66 -1.26 -3.01 114.28 119.24 1siy n THR 83 Ca 0.15 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.19 1siy n THR 83 Cb 0.27 -0.56 0.15 0.00 -1.55 0.00 0.00 70.33 68.64 1siy n THR 83 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1siy n SER 84 N 0.14 2.15 -4.73 1.09 2.88 -1.26 -4.93 113.62 108.96 1siy n SER 84 Ca 0.00 -2.13 -0.42 0.00 -1.33 0.00 0.00 58.87 55.00 1siy n SER 84 Cb 0.28 -0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.63 2.90 -1.22 2.46 2.01 -1.16 -4.90 115.64 114.09 1siy s THR 85 Ca 0.22 0.69 -0.17 0.00 0.31 0.00 0.00 61.69 62.74 1siy s THR 85 Cb 0.13 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 1siy s THR 85 CO 0.12 0.08 2.08 -3.20 -0.69 0.00 0.00 174.62 173.00 1siy n ASN 86 N 3.34 3.53 -0.23 3.53 2.85 -1.26 -4.78 115.26 122.24 1siy n ASN 86 Ca 0.10 -2.79 0.02 0.00 -0.11 0.00 0.00 54.58 51.80 1siy n ASN 86 Cb 0.41 -1.51 0.14 0.00 1.24 0.00 0.00 39.78 40.06 1siy n ASN 86 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1siy h ASN 88 N 0.42 0.00 0.00 0.00 4.21 -1.86 -2.83 115.58 115.53 1siy h ASN 88 Ca 0.35 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.72 1siy h ASN 88 Cb 0.48 0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 37.38 1siy h ASN 88 CO -0.35 0.00 -0.88 -1.20 -1.29 0.00 0.00 177.43 173.70 1siy n SER 89 N -2.61 0.67 0.27 5.81 7.64 -0.74 -4.79 113.62 119.87 1siy n SER 89 Ca -0.02 -1.98 0.18 0.00 1.01 0.00 0.00 58.87 58.06 1siy n SER 89 Cb 0.08 -0.23 0.77 0.00 -1.01 0.00 0.00 64.21 63.82 1siy n SER 89 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1siy h ILE 90 N 6.80 0.00 -0.00 0.44 3.07 -1.09 -3.50 117.51 123.22 1siy h ILE 90 Ca -0.22 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 65.82 1siy h ILE 90 Cb 1.77 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 39.65 1siy h ILE 90 CO 0.05 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 176.69