#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 0.05 2.03 -1.04 -1.26 -4.84 114.28 109.21 1siy n THR 2 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1siy n THR 2 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1siy n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1siy h GLY 4 N 3.43 0.00 0.28 0.00 0.00 -1.99 -2.92 103.07 101.88 1siy h GLY 4 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1siy h GLY 4 CO 0.08 0.00 -0.03 -1.61 0.00 0.00 0.00 176.54 174.98 1siy h GLN 5 N 0.00 -0.08 0.00 4.80 4.15 -1.81 -3.21 115.11 118.96 1siy h GLN 5 Ca 0.00 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1siy h GLN 5 Cb 0.92 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.63 1siy h GLN 5 CO 0.00 0.51 -0.12 -0.24 -1.93 0.00 0.00 178.83 177.05 1siy h VAL 6 N -0.81 0.98 -0.33 2.39 3.04 -0.73 -2.72 116.25 118.07 1siy h VAL 6 Ca -0.01 -0.42 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 1siy h VAL 6 Cb 0.63 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.12 1siy h VAL 6 CO 0.01 0.12 0.07 -0.61 -1.01 0.00 0.00 177.57 176.15 1siy h GLN 7 N 0.00 0.48 -0.11 4.17 4.15 -1.51 -0.90 115.11 121.39 1siy h GLN 7 Ca -0.00 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.37 1siy h GLN 7 Cb 0.23 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1siy h GLN 7 CO 0.02 0.45 0.11 0.78 -1.93 0.00 0.00 178.83 178.26 1siy h GLY 8 N 0.71 0.00 0.42 2.39 0.00 -1.52 0.33 103.07 105.39 1siy h GLY 8 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1siy h GLY 8 CO -0.00 0.00 -0.20 -0.57 0.00 0.00 0.00 176.54 175.77 1siy h ASN 9 N 0.00 -0.47 1.12 0.19 -0.73 -1.32 -3.36 115.58 111.00 1siy h ASN 9 Ca 0.05 0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.18 1siy h ASN 9 Cb 0.28 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1siy h ASN 9 CO -0.00 -0.11 -0.29 -0.07 -0.37 0.00 0.00 177.43 176.59 1siy h LEU 10 N -1.01 0.00 -1.73 0.34 -0.00 -1.37 -3.23 115.31 108.32 1siy h LEU 10 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1siy h LEU 10 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1siy h LEU 10 CO 0.09 0.29 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 1siy h ALA 11 N 1.71 1.00 0.00 1.53 0.00 -0.52 0.58 119.26 123.57 1siy h ALA 11 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1siy h ALA 11 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1siy h ALA 11 CO 0.04 0.00 -1.77 1.04 0.00 0.00 0.00 179.25 178.56 1siy n GLN 12 N -2.83 0.65 0.00 0.00 6.02 -1.22 -4.07 117.38 115.93 1siy n GLN 12 Ca -0.00 -0.08 0.08 0.00 -0.01 0.00 0.00 57.00 56.99 1siy n GLN 12 Cb 0.20 -1.61 0.03 0.00 1.02 0.00 0.00 30.24 29.88 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 2.45 0.70 -0.98 0.00 2.10 0.01 1.03 117.51 122.83 1siy h ILE 14 Ca 0.00 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.96 1siy h ILE 14 Cb 0.60 0.76 -0.05 0.00 -1.09 0.00 0.00 36.82 37.04 1siy h ILE 14 CO 0.00 0.00 0.65 1.23 -1.08 0.00 0.00 178.15 178.95 1siy h GLY 15 N 0.00 1.39 1.02 8.18 0.00 -1.84 0.86 103.07 112.68 1siy h GLY 15 Ca 0.21 -0.51 -0.31 0.00 0.00 0.00 0.00 47.33 46.72 1siy h GLY 15 CO -0.00 0.48 -1.69 -2.75 0.00 0.00 0.00 176.54 172.58 1siy h PHE 16 N 1.30 0.24 -0.11 5.60 3.04 -0.89 0.44 116.94 126.56 1siy h PHE 16 Ca 0.37 -0.18 0.02 0.00 3.98 0.00 0.00 57.97 62.16 1siy h PHE 16 Cb -0.10 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 1siy h PHE 16 CO -0.00 1.30 -0.01 1.25 -2.02 0.00 0.00 178.31 178.82 1siy h LEU 17 N 0.04 -0.08 0.00 0.59 5.85 0.13 -2.62 115.31 119.21 1siy h LEU 17 Ca -0.29 0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.25 1siy h LEU 17 Cb 2.00 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 43.06 1siy h LEU 17 CO 0.11 -0.02 -1.25 1.67 -0.34 0.00 0.00 178.44 178.61 1siy n GLN 18 N -5.13 0.55 0.00 1.25 7.27 0.27 -3.79 117.38 117.79 1siy n GLN 18 Ca -0.04 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.57 1siy n GLN 18 Cb 0.08 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.01 1siy n GLN 18 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1siy n LYS 19 N -4.45 0.00 0.00 3.69 3.00 -1.11 -4.32 118.16 114.98 1siy n LYS 19 Ca -0.30 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1siy n LYS 19 Cb 0.63 -0.64 0.00 0.00 0.00 0.00 0.00 35.03 35.02 1siy n LYS 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1siy n GLY 20 N 1.66 4.34 0.00 3.14 0.00 0.13 -4.92 105.19 109.54 1siy n GLY 20 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.74 -0.76 3.01 -0.02 0.00 -1.26 -4.34 105.19 100.07 1siy n GLY 21 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.25 -0.39 1.61 0.11 -1.26 -4.99 120.40 115.72 1siy s VAL 22 Ca 0.00 -1.04 -0.14 0.00 -2.93 0.00 0.00 61.98 57.87 1siy s VAL 22 Cb 0.00 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1siy s VAL 22 CO 0.00 -0.51 0.27 -0.69 -3.33 0.00 0.00 175.10 170.85 1siy s VAL 23 N -1.65 5.12 0.49 2.04 1.01 -1.26 -4.66 120.40 121.50 1siy s VAL 23 Ca -0.12 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 1siy s VAL 23 Cb -0.08 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1siy s VAL 23 CO -0.01 -0.26 1.02 -2.16 0.00 0.00 0.00 175.10 173.69 1siy s PRO 24 N 1.66 3.82 0.22 2.72 0.04 -1.26 -4.94 135.00 137.26 1siy s PRO 24 Ca 0.05 1.28 0.19 0.00 0.04 0.00 0.00 61.00 62.55 1siy s PRO 24 Cb -0.19 -2.10 0.89 0.00 0.04 0.00 0.00 34.50 33.13 1siy s PRO 24 CO 0.09 -0.40 1.57 -0.35 0.04 0.00 0.00 177.00 177.96 1siy n PRO 25 N -1.07 0.13 0.13 0.56 -0.04 -1.26 -1.47 135.00 131.97 1siy n PRO 25 Ca 0.09 0.49 -0.09 0.00 -0.04 0.00 0.00 63.50 63.96 1siy n PRO 25 Cb 0.53 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.34 -0.71 3.54 0.02 -1.96 -2.26 113.55 111.84 1siy h SER 26 Ca 0.00 -0.10 0.16 0.00 -0.84 0.00 0.00 61.79 61.00 1siy h SER 26 Cb 0.17 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 62.68 1siy h SER 26 CO 0.00 0.13 0.09 0.00 -1.14 0.00 0.00 176.83 175.91 1siy h THR 29 N 0.61 1.26 -0.30 0.00 2.02 -0.62 0.13 112.91 116.01 1siy h THR 29 Ca 0.43 -1.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 1siy h THR 29 Cb 0.57 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1siy h THR 29 CO -0.34 0.41 -0.36 1.23 0.37 0.00 0.00 175.52 176.83 1siy h GLY 30 N 0.98 0.74 0.79 2.16 0.00 -0.62 -0.54 103.07 106.59 1siy h GLY 30 Ca 0.15 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1siy h GLY 30 CO 0.03 0.65 0.19 -2.08 0.00 0.00 0.00 176.54 175.33 1siy h VAL 31 N 0.57 0.97 -0.09 4.60 2.07 -0.17 -0.71 116.25 123.49 1siy h VAL 31 Ca 0.06 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1siy h VAL 31 Cb 0.88 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1siy h VAL 31 CO 0.08 0.07 0.07 0.50 0.02 0.00 0.00 177.57 178.31 1siy h LYS 32 N 0.39 0.00 -0.14 1.57 3.64 -0.30 0.30 116.57 122.04 1siy h LYS 32 Ca 0.17 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.32 1siy h LYS 32 Cb 0.08 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1siy h LYS 32 CO -0.12 0.00 -0.80 -0.91 -2.27 0.00 0.00 179.45 175.35 1siy h ASN 33 N 0.00 0.95 0.71 4.20 2.35 0.39 0.25 115.58 124.42 1siy h ASN 33 Ca 0.04 -0.64 -0.26 0.00 -0.55 0.00 0.00 56.30 54.89 1siy h ASN 33 Cb 0.19 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1siy h ASN 33 CO -0.00 1.44 -1.31 0.40 -1.65 0.00 0.00 177.43 176.31 1siy h ILE 34 N 0.53 1.37 0.07 2.81 5.03 -0.78 -1.42 117.51 125.12 1siy h ILE 34 Ca -0.06 -3.07 -0.35 0.00 -0.12 0.00 0.00 64.86 61.26 1siy h ILE 34 Cb 1.44 2.76 -0.03 0.00 -3.03 0.00 0.00 36.82 37.95 1siy h ILE 34 CO 0.17 0.83 -1.99 -0.11 -0.68 0.00 0.00 178.15 176.37 1siy n LEU 35 N -3.35 2.04 -0.11 1.44 7.94 0.10 -3.87 117.00 121.19 1siy n LEU 35 Ca -0.09 0.22 -0.22 0.00 -1.11 0.00 0.00 56.01 54.81 1siy n LEU 35 Cb 1.00 -0.65 -0.07 0.00 0.53 0.00 0.00 43.42 44.23 1siy n LEU 35 CO 0.48 0.71 -1.20 -3.20 -1.11 0.00 0.00 177.39 173.08 1siy n ASN 36 N -3.30 1.60 -1.20 1.96 5.15 0.35 -4.64 115.26 115.18 1siy n ASN 36 Ca -0.29 0.28 0.02 0.00 -0.60 0.00 0.00 54.58 53.98 1siy n ASN 36 Cb 1.05 -0.66 0.18 0.00 -0.53 0.00 0.00 39.78 39.81 1siy n ASN 36 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1siy n SER 37 N -4.04 3.22 -4.55 1.20 7.64 0.60 -4.81 113.62 112.88 1siy n SER 37 Ca -0.41 -2.47 -0.37 0.00 1.01 0.00 0.00 58.87 56.64 1siy n SER 37 Cb 0.77 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.32 4.52 0.14 6.43 0.15 -0.56 -4.78 113.70 119.27 1siy s SER 38 Ca 0.25 1.13 -0.22 0.00 0.70 0.00 0.00 55.95 57.81 1siy s SER 38 Cb 0.20 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1siy s SER 38 CO 0.07 -2.81 1.65 -0.09 1.20 0.00 0.00 173.24 173.26 1siy h ARG 39 N 19.20 -0.22 -5.39 5.44 2.43 -1.87 -3.44 114.38 130.53 1siy h ARG 39 Ca -0.25 0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 58.38 1siy h ARG 39 Cb 1.26 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.73 1siy h ARG 39 CO 1.15 -0.14 -0.59 0.95 -1.51 0.00 0.00 179.97 179.82 1siy s THR 40 N -6.12 1.47 0.27 0.20 -4.23 -1.26 -4.98 115.64 101.00 1siy s THR 40 Ca -0.15 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.32 1siy s THR 40 Cb 0.11 -2.81 0.26 0.00 1.34 0.00 0.00 72.50 71.41 1siy s THR 40 CO 0.68 0.00 1.94 0.74 -0.54 0.00 0.00 174.62 177.43 1siy h THR 41 N 1.90 1.22 0.00 3.99 2.02 -1.99 0.65 112.91 120.70 1siy h THR 41 Ca -0.42 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1siy h THR 41 Cb 1.25 -0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1siy h THR 41 CO 0.74 0.23 -0.12 0.00 0.37 0.00 0.00 175.52 176.74 1siy h ALA 42 N 1.42 1.69 -0.02 6.16 0.00 -1.97 0.10 119.26 126.63 1siy h ALA 42 Ca 0.36 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1siy h ALA 42 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1siy h ALA 42 CO -0.09 0.15 -0.26 -0.44 0.00 0.00 0.00 179.25 178.61 1siy h ASP 43 N 0.00 0.26 -0.51 0.00 3.32 -1.52 -3.02 116.42 114.96 1siy h ASP 43 Ca -0.00 -0.73 -0.07 0.00 0.02 0.00 0.00 57.03 56.25 1siy h ASP 43 Cb 0.23 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1siy h ASP 43 CO 0.02 0.95 0.03 0.03 -1.72 0.00 0.00 179.24 178.55 1siy h ARG 44 N -0.40 0.88 -0.06 3.56 3.08 -0.33 0.14 114.38 121.24 1siy h ARG 44 Ca -0.03 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1siy h ARG 44 Cb 0.97 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1siy h ARG 44 CO 0.05 0.89 0.00 0.54 -1.07 0.00 0.00 179.97 180.38 1siy n ARG 45 N -4.34 1.46 -0.11 0.04 1.74 -0.03 -2.85 116.66 112.57 1siy n ARG 45 Ca 0.01 -0.68 -0.17 0.00 -0.77 0.00 0.00 57.85 56.24 1siy n ARG 45 Cb 0.30 -1.42 -0.09 0.00 -1.02 0.00 0.00 32.46 30.22 1siy n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1siy n ALA 46 N -0.14 1.54 0.04 7.54 0.00 -0.95 -4.46 120.51 124.09 1siy n ALA 46 Ca 0.18 -0.91 -0.01 0.00 0.00 0.00 0.00 53.44 52.70 1siy n ALA 46 Cb 0.26 0.05 0.28 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.16 1.23 -0.37 0.00 3.04 -0.77 -2.87 116.25 116.35 1siy h VAL 47 Ca -0.50 -1.02 -0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1siy h VAL 47 Cb 1.69 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 1siy h VAL 47 CO -0.13 0.33 0.22 0.00 -1.01 0.00 0.00 177.57 176.98 1siy h SER 49 N 0.49 0.84 0.55 0.00 0.02 -1.73 -0.25 113.55 113.47 1siy h SER 49 Ca 0.13 0.07 -0.28 0.00 -0.84 0.00 0.00 61.79 60.87 1siy h SER 49 Cb 0.01 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1siy h SER 49 CO -0.02 0.38 -1.60 0.00 -1.14 0.00 0.00 176.83 174.45 1siy h LEU 51 N 0.01 0.22 -0.77 0.00 5.85 0.85 0.82 115.31 122.28 1siy h LEU 51 Ca -0.24 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1siy h LEU 51 Cb 1.97 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.89 1siy h LEU 51 CO 0.09 0.15 0.46 0.50 -0.34 0.00 0.00 178.44 179.31 1siy h LYS 52 N 0.26 0.81 0.00 1.25 3.64 -1.10 -1.18 116.57 120.25 1siy h LYS 52 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1siy h LYS 52 Cb 0.06 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1siy h LYS 52 CO -0.02 0.54 0.00 0.00 -2.27 0.00 0.00 179.45 177.70 1siy h ALA 53 N 1.38 1.00 -0.20 5.00 0.00 -1.04 -2.86 119.26 122.53 1siy h ALA 53 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1siy h ALA 53 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1siy h ALA 53 CO -0.18 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1siy n ALA 54 N -2.04 2.48 0.00 0.00 0.00 0.06 -1.39 120.51 119.61 1siy n ALA 54 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1siy n ALA 54 Cb 0.49 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1siy n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1siy n ALA 55 N 0.10 1.97 0.41 0.00 0.00 -1.02 -4.81 120.51 117.17 1siy n ALA 55 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.58 1siy n ALA 55 Cb 0.19 0.38 0.07 0.00 0.00 0.00 0.00 19.45 20.08 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 3.10 0.19 0.30 0.00 0.00 -1.09 -3.16 105.19 104.52 1siy n GLY 56 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 0.68 2.29 0.09 4.61 0.00 -0.49 -4.74 120.51 122.96 1siy n ALA 57 Ca 0.08 -2.17 0.04 0.00 0.00 0.00 0.00 53.44 51.39 1siy n ALA 57 Cb 0.33 -0.43 0.22 0.00 0.00 0.00 0.00 19.45 19.57 1siy n ALA 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1siy n VAL 58 N -0.90 1.34 0.00 0.00 0.31 -1.25 -4.93 118.33 112.90 1siy n VAL 58 Ca 0.11 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1siy n VAL 58 Cb 0.68 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1siy n VAL 58 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1siy n ARG 59 N 0.42 0.00 0.21 5.55 3.00 -1.26 -3.46 116.66 121.11 1siy n ARG 59 Ca 0.15 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 58.06 1siy n ARG 59 Cb 0.69 0.00 0.45 0.00 0.00 0.00 0.00 32.46 33.60 1siy n ARG 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1siy h GLY 60 N 0.00 0.00 -1.55 -0.13 0.00 -1.92 -3.49 103.07 95.98 1siy h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1siy h GLY 60 CO 0.00 0.00 -0.27 1.39 0.00 0.00 0.00 176.54 177.66 1siy n ILE 61 N -3.66 -3.83 -3.78 2.60 2.08 -1.22 -4.92 119.36 106.62 1siy n ILE 61 Ca -0.01 0.86 -0.34 0.00 0.56 0.00 0.00 62.75 63.82 1siy n ILE 61 Cb 0.41 -2.36 -0.10 0.00 -0.75 0.00 0.00 39.64 36.84 1siy n ILE 61 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1siy s ASN 62 N -0.70 5.06 -0.07 4.38 4.22 -1.19 -4.77 114.94 121.88 1siy s ASN 62 Ca 0.00 -3.10 -0.03 0.00 -2.14 0.00 0.00 52.86 47.59 1siy s ASN 62 Cb 0.00 -1.79 -0.02 0.00 1.28 0.00 0.00 41.25 40.72 1siy s ASN 62 CO 0.00 -0.28 0.15 -0.65 -2.04 0.00 0.00 177.10 174.27 1siy h PRO 63 N 6.62 -0.11 0.07 3.55 0.11 -1.90 -3.27 132.00 137.07 1siy h PRO 63 Ca 0.01 0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.88 1siy h PRO 63 Cb 0.90 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1siy h PRO 63 CO 0.72 -0.08 -1.11 -0.97 -0.21 0.00 0.00 178.00 176.36 1siy h ASN 64 N -0.89 0.29 0.31 -2.05 -0.73 -1.98 -3.30 115.58 107.23 1siy h ASN 64 Ca -0.01 -0.29 -0.05 0.00 1.87 0.00 0.00 56.30 57.82 1siy h ASN 64 Cb 0.09 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1siy h ASN 64 CO 0.02 1.20 -0.23 0.78 -0.37 0.00 0.00 177.43 178.83 1siy h ASN 65 N 0.07 0.00 0.16 1.15 4.21 -1.89 0.45 115.58 119.73 1siy h ASN 65 Ca -0.08 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.16 1siy h ASN 65 Cb 1.83 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 39.05 1siy h ASN 65 CO 0.17 0.23 -1.09 0.00 -1.29 0.00 0.00 177.43 175.46 1siy h ALA 66 N 1.77 0.15 0.00 -0.83 0.00 -1.65 -2.16 119.26 116.54 1siy h ALA 66 Ca -0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1siy h ALA 66 Cb 0.45 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1siy h ALA 66 CO 0.03 0.74 -0.12 0.93 0.00 0.00 0.00 179.25 180.83 1siy h GLU 67 N 0.30 0.00 0.00 0.00 5.08 -1.40 -2.93 114.58 115.63 1siy h GLU 67 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1siy h GLU 67 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1siy h GLU 67 CO 0.20 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 1siy h ALA 68 N 1.88 1.00 0.69 3.43 0.00 -0.10 -3.36 119.26 122.80 1siy h ALA 68 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1siy h ALA 68 Cb 1.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1siy h ALA 68 CO 0.02 0.00 -0.33 1.25 0.00 0.00 0.00 179.25 180.18 1siy h LEU 69 N 0.00 -0.79 -2.20 0.00 5.85 -1.19 -2.98 115.31 114.00 1siy h LEU 69 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1siy h LEU 69 Cb 0.87 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1siy h LEU 69 CO 0.00 -0.55 -0.03 1.55 -0.34 0.00 0.00 178.44 179.07 1siy h PRO 70 N -0.96 0.00 -0.59 5.25 0.13 -1.74 -3.07 132.00 131.02 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 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 1siy h PRO 70 CO 0.16 0.03 0.33 0.78 -0.23 0.00 0.00 178.00 179.07 1siy h GLY 71 N 0.91 0.88 -2.01 1.56 0.00 -1.70 0.18 103.07 102.88 1siy h GLY 71 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1siy h GLY 71 CO 0.00 0.38 0.07 0.28 0.00 0.00 0.00 176.54 177.28 1siy n LYS 72 N -4.59 1.48 0.00 4.80 4.01 -1.16 -3.57 118.16 119.13 1siy n LYS 72 Ca 0.04 -0.61 0.00 0.00 -0.51 0.00 0.00 58.31 57.23 1siy n LYS 72 Cb 0.08 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 1siy n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1siy n GLY 74 N 0.61 1.18 3.49 0.00 0.00 0.58 -5.04 105.19 106.01 1siy n GLY 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1siy n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1siy s VAL 75 N -2.00 4.49 -0.55 1.61 -7.23 -1.13 -4.96 120.40 110.63 1siy s VAL 75 Ca 0.00 -1.49 -0.19 0.00 -1.81 0.00 0.00 61.98 58.50 1siy s VAL 75 Cb 0.00 -4.90 0.08 0.00 0.56 0.00 0.00 36.38 32.12 1siy s VAL 75 CO 0.00 -1.68 0.66 0.21 -0.31 0.00 0.00 175.10 173.98 1siy s ASN 76 N 3.97 6.20 0.16 4.85 2.47 -1.26 -4.74 114.94 126.59 1siy s ASN 76 Ca 0.39 -1.23 0.02 0.00 0.42 0.00 0.00 52.86 52.47 1siy s ASN 76 Cb -0.03 -2.29 -0.04 0.00 -1.45 0.00 0.00 41.25 37.45 1siy s ASN 76 CO -0.07 -1.01 0.30 0.27 -3.72 0.00 0.00 177.10 172.87 1siy s ILE 77 N 2.62 5.31 0.24 -5.21 -0.00 -1.26 -5.03 121.20 117.87 1siy s ILE 77 Ca 0.13 -0.68 0.13 0.00 -0.00 0.00 0.00 60.65 60.22 1siy s ILE 77 Cb -0.22 -3.75 0.01 0.00 -0.00 0.00 0.00 42.46 38.50 1siy s ILE 77 CO 0.08 -0.12 1.64 -0.65 -0.00 0.00 0.00 174.94 175.89 1siy h PRO 78 N 2.06 0.00 -7.18 0.37 0.11 -2.01 -3.45 132.00 121.90 1siy h PRO 78 Ca -0.49 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.16 1siy h PRO 78 Cb 1.20 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.39 1siy h PRO 78 CO 0.68 0.56 0.14 1.52 -0.21 0.00 0.00 178.00 180.69 1siy s TYR 79 N -3.59 1.75 0.46 0.65 -0.85 -1.26 -5.12 117.35 109.39 1siy s TYR 79 Ca -0.01 -0.16 0.03 0.00 -0.52 0.00 0.00 57.07 56.41 1siy s TYR 79 Cb 0.12 -3.10 -0.01 0.00 0.38 0.00 0.00 41.96 39.35 1siy s TYR 79 CO 0.74 -1.73 0.09 0.15 -1.52 0.00 0.00 175.55 173.28 1siy s LYS 80 N -5.20 2.08 0.00 -3.49 -0.14 -1.26 -5.04 119.74 106.69 1siy s LYS 80 Ca 0.66 -2.31 0.22 0.00 -1.36 0.00 0.00 55.97 53.18 1siy s LYS 80 Cb -0.06 -0.92 0.51 0.00 -1.68 0.00 0.00 37.83 35.68 1siy s LYS 80 CO 0.45 -0.49 1.44 0.44 -0.76 0.00 0.00 175.35 176.43 1siy n ILE 81 N -1.09 0.41 -1.42 2.17 -6.64 -1.26 -4.81 119.36 106.72 1siy n ILE 81 Ca -0.12 -0.63 -0.33 0.00 -1.77 0.00 0.00 62.75 59.91 1siy n ILE 81 Cb 0.65 0.81 0.08 0.00 -1.44 0.00 0.00 39.64 39.75 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 -1.51 4.44 0.20 7.28 1.04 -1.26 -4.52 113.70 119.37 1siy s SER 82 Ca 0.37 2.08 0.21 0.00 0.48 0.00 0.00 55.95 59.08 1siy s SER 82 Cb 0.21 -2.56 0.89 0.00 0.10 0.00 0.00 66.02 64.66 1siy s SER 82 CO 0.30 -2.08 1.63 0.35 0.98 0.00 0.00 173.24 174.41 1siy n THR 83 N -2.99 0.93 -0.45 2.02 -2.24 -1.26 -1.98 114.28 108.31 1siy n THR 83 Ca 0.11 0.30 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 1siy n THR 83 Cb 0.52 -1.20 0.33 0.00 -2.10 0.00 0.00 70.33 67.87 1siy n THR 83 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1siy n SER 84 N -2.06 4.18 -4.77 3.42 2.88 -1.26 -4.97 113.62 111.04 1siy n SER 84 Ca 0.02 -2.16 -0.40 0.00 -1.33 0.00 0.00 58.87 55.00 1siy n SER 84 Cb 0.19 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 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 -1.30 3.11 0.04 2.46 2.01 -0.84 -4.96 115.64 116.17 1siy s THR 85 Ca 0.48 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.23 1siy s THR 85 Cb 0.27 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 69.06 1siy s THR 85 CO 0.29 0.20 1.79 0.21 -0.69 0.00 0.00 174.62 176.42 1siy s ASN 86 N -0.85 6.53 0.00 3.53 3.84 -1.26 -4.85 114.94 121.89 1siy s ASN 86 Ca 0.50 2.55 0.00 0.00 0.21 0.00 0.00 52.86 56.12 1siy s ASN 86 Cb -0.34 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.81 1siy s ASN 86 CO 0.44 -0.97 0.00 0.00 -2.79 0.00 0.00 177.10 173.78 1siy n ASN 88 N -2.17 1.88 0.00 0.00 6.94 -1.26 -4.46 115.26 116.19 1siy n ASN 88 Ca 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 54.58 52.41 1siy n ASN 88 Cb 0.44 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1siy n ASN 88 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1siy n SER 89 N 0.19 0.00 0.00 0.53 7.64 -1.26 -5.04 113.62 115.68 1siy n SER 89 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1siy n SER 89 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.84 0.00 -0.71 0.44 -5.35 -1.26 -4.93 119.36 106.70 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