#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 0.12 -1.65 1.12 -1.32 -1.26 -4.98 115.64 107.67 1siy s THR 2 Ca 0.00 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 1siy s THR 2 Cb 0.00 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1siy s THR 2 CO 0.00 -0.53 0.61 0.00 -2.21 0.00 0.00 174.62 172.49 1siy n GLY 4 N 0.20 -0.44 0.13 0.00 0.00 -1.26 -3.66 105.19 100.16 1siy n GLY 4 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.20 -0.61 1.61 4.15 -1.21 -0.93 115.11 117.92 1siy h GLN 5 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1siy h GLN 5 Cb 0.48 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1siy h GLN 5 CO 0.00 0.23 0.39 0.28 -1.93 0.00 0.00 178.83 177.80 1siy h VAL 6 N -0.77 1.17 -0.95 2.39 2.07 -1.76 -2.43 116.25 115.97 1siy h VAL 6 Ca -0.02 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1siy h VAL 6 Cb 0.53 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1siy h VAL 6 CO 0.04 0.17 0.62 -0.61 0.02 0.00 0.00 177.57 177.81 1siy h GLN 7 N 0.83 1.19 -0.68 1.57 4.15 -1.62 0.12 115.11 120.66 1siy h GLN 7 Ca 0.22 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 1siy h GLN 7 Cb -0.05 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.34 1siy h GLN 7 CO -0.04 0.79 0.22 0.78 -1.93 0.00 0.00 178.83 178.64 1siy h GLY 8 N 1.22 1.13 0.81 2.39 0.00 -0.82 0.50 103.07 108.30 1siy h GLY 8 Ca 0.37 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1siy h GLY 8 CO -0.11 0.62 -0.05 3.43 0.00 0.00 0.00 176.54 180.44 1siy h ASN 9 N 0.98 -0.11 0.57 0.19 -0.26 -0.87 -3.09 115.58 112.99 1siy h ASN 9 Ca 0.22 -0.17 -0.10 0.00 -0.56 0.00 0.00 56.30 55.69 1siy h ASN 9 Cb 0.29 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1siy h ASN 9 CO -0.01 0.11 -0.47 -0.07 -1.06 0.00 0.00 177.43 175.93 1siy h LEU 10 N -0.32 0.00 -1.03 1.61 4.07 -0.68 -3.15 115.31 115.80 1siy h LEU 10 Ca -0.01 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.03 1siy h LEU 10 Cb 0.27 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.94 1siy h LEU 10 CO 0.02 0.47 0.64 0.00 -1.08 0.00 0.00 178.44 178.49 1siy h ALA 11 N 1.53 1.47 0.00 1.53 0.00 0.10 0.83 119.26 124.72 1siy h ALA 11 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1siy h ALA 11 Cb 0.88 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1siy h ALA 11 CO 0.06 0.34 -0.17 1.96 0.00 0.00 0.00 179.25 181.44 1siy h GLN 12 N 1.09 0.00 0.00 0.00 1.08 -1.55 -2.40 115.11 113.32 1siy h GLN 12 Ca 0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 1siy h GLN 12 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1siy h GLN 12 CO -0.20 0.17 -1.16 0.00 -0.95 0.00 0.00 178.83 176.69 1siy h ILE 14 N 0.00 0.51 0.44 0.00 2.04 -0.39 0.52 117.51 120.63 1siy h ILE 14 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1siy h ILE 14 Cb 0.93 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1siy h ILE 14 CO 0.00 0.00 -0.30 1.23 0.00 0.00 0.00 178.15 179.08 1siy h GLY 15 N 0.00 -0.96 1.29 5.37 0.00 -1.74 0.63 103.07 107.66 1siy h GLY 15 Ca 0.20 0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.92 1siy h GLY 15 CO -0.00 -0.32 0.36 -2.75 0.00 0.00 0.00 176.54 173.82 1siy h PHE 16 N -0.70 0.91 -0.42 5.60 3.57 -1.51 0.48 116.94 124.87 1siy h PHE 16 Ca -0.06 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.49 1siy h PHE 16 Cb 0.57 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1siy h PHE 16 CO -0.06 0.64 0.10 1.25 -2.23 0.00 0.00 178.31 178.02 1siy h LEU 17 N 0.94 0.05 0.00 0.59 5.85 0.24 -2.00 115.31 120.97 1siy h LEU 17 Ca 0.24 0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.81 1siy h LEU 17 Cb 0.04 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1siy h LEU 17 CO -0.04 0.06 -1.40 1.67 -0.34 0.00 0.00 178.44 178.39 1siy n GLN 18 N -5.08 0.54 -0.10 1.25 7.27 0.22 -1.43 117.38 120.06 1siy n GLN 18 Ca 0.03 0.43 -0.12 0.00 0.07 0.00 0.00 57.00 57.41 1siy n GLN 18 Cb 0.19 -1.62 -0.13 0.00 2.41 0.00 0.00 30.24 31.09 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 -4.43 0.83 0.00 3.69 5.02 0.15 -4.24 118.16 119.18 1siy n LYS 19 Ca -0.30 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1siy n LYS 19 Cb 0.62 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 2.08 -2.33 0.00 0.72 0.00 0.11 -4.94 105.19 100.82 1siy n GLY 20 Ca -0.35 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.58 3.38 3.51 -0.02 0.00 -1.26 -4.60 105.19 105.62 1siy n GLY 21 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.01 0.01 -0.27 1.61 0.11 -1.26 -5.12 120.40 115.46 1siy s VAL 22 Ca 0.00 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1siy s VAL 22 Cb 0.00 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1siy s VAL 22 CO 0.00 -0.02 0.09 -0.69 -3.33 0.00 0.00 175.10 171.15 1siy s VAL 23 N -0.29 4.32 0.41 2.04 1.01 -1.26 -4.17 120.40 122.47 1siy s VAL 23 Ca -0.05 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1siy s VAL 23 Cb -0.03 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 1siy s VAL 23 CO 0.04 0.24 1.01 -2.16 0.00 0.00 0.00 175.10 174.22 1siy s PRO 24 N 1.60 4.16 0.00 2.72 0.04 -1.26 -4.93 135.00 137.33 1siy s PRO 24 Ca 0.05 1.35 0.13 0.00 0.04 0.00 0.00 61.00 62.58 1siy s PRO 24 Cb -0.16 -2.39 0.80 0.00 0.04 0.00 0.00 34.50 32.79 1siy s PRO 24 CO 0.04 -0.11 1.23 -2.30 0.04 0.00 0.00 177.00 175.89 1siy n PRO 25 N -0.32 0.51 -0.05 0.56 -0.02 -1.26 -1.94 135.00 132.48 1siy n PRO 25 Ca 0.06 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.33 1siy n PRO 25 Cb 0.51 -1.41 -0.13 0.00 -0.02 0.00 0.00 33.50 32.45 1siy n PRO 25 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1siy n SER 26 N -0.91 2.04 -0.10 2.55 7.64 -1.26 -2.33 113.62 121.25 1siy n SER 26 Ca 0.10 0.18 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 1siy n SER 26 Cb 0.05 -0.78 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 1siy n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1siy h THR 29 N 0.46 1.27 0.07 0.00 2.02 -1.40 -2.17 112.91 113.16 1siy h THR 29 Ca -0.02 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1siy h THR 29 Cb 1.23 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1siy h THR 29 CO 0.13 0.41 -0.03 1.23 0.37 0.00 0.00 175.52 177.63 1siy h GLY 30 N 0.94 -0.10 2.00 2.16 0.00 -0.51 -3.14 103.07 104.41 1siy h GLY 30 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1siy h GLY 30 CO 0.03 -0.04 -0.11 -2.08 0.00 0.00 0.00 176.54 174.34 1siy h VAL 31 N -0.69 0.68 -0.04 4.60 2.07 -1.12 0.44 116.25 122.19 1siy h VAL 31 Ca -0.01 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1siy h VAL 31 Cb 0.57 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1siy h VAL 31 CO 0.02 0.11 0.04 0.50 0.02 0.00 0.00 177.57 178.26 1siy h LYS 32 N 0.00 0.00 -0.08 1.57 3.64 -1.34 0.13 116.57 120.48 1siy h LYS 32 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1siy h LYS 32 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1siy h LYS 32 CO 0.01 0.00 -0.18 -0.97 -2.27 0.00 0.00 179.45 176.04 1siy h ASN 33 N 0.00 0.31 1.28 4.20 -0.73 -0.10 0.23 115.58 120.77 1siy h ASN 33 Ca 0.02 -0.57 0.00 0.00 1.87 0.00 0.00 56.30 57.61 1siy h ASN 33 Cb 0.10 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1siy h ASN 33 CO -0.00 0.82 0.00 -0.29 -0.37 0.00 0.00 177.43 177.59 1siy h ILE 34 N -0.20 0.00 0.00 2.57 6.09 -1.16 0.45 117.51 125.26 1siy h ILE 34 Ca 0.00 -0.60 -0.39 0.00 -1.37 0.00 0.00 64.86 62.50 1siy h ILE 34 Cb 0.78 1.57 -0.06 0.00 0.47 0.00 0.00 36.82 39.58 1siy h ILE 34 CO 0.04 0.00 -2.31 -0.11 -3.07 0.00 0.00 178.15 172.70 1siy n LEU 35 N -2.92 1.91 -0.11 2.19 7.94 -0.09 -4.40 117.00 121.52 1siy n LEU 35 Ca 0.02 0.21 -0.24 0.00 -1.11 0.00 0.00 56.01 54.89 1siy n LEU 35 Cb 0.37 -0.71 -0.11 0.00 0.53 0.00 0.00 43.42 43.49 1siy n LEU 35 CO 0.28 0.56 -1.09 -3.20 -1.11 0.00 0.00 177.39 172.84 1siy n ASN 36 N -3.89 1.96 -0.42 1.96 5.15 -0.03 -4.49 115.26 115.50 1siy n ASN 36 Ca -0.45 0.25 0.09 0.00 -0.60 0.00 0.00 54.58 53.87 1siy n ASN 36 Cb 0.85 -0.78 0.38 0.00 -0.53 0.00 0.00 39.78 39.69 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 -3.98 1.27 -4.55 1.20 7.64 -0.09 -4.77 113.62 110.33 1siy n SER 37 Ca -0.44 -1.69 -0.40 0.00 1.01 0.00 0.00 58.87 57.35 1siy n SER 37 Cb 0.88 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.94 1siy n SER 37 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1siy n SER 38 N 0.08 2.51 0.00 6.43 3.41 0.14 -4.86 113.62 121.33 1siy n SER 38 Ca 0.15 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1siy n SER 38 Cb 0.26 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 1siy n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1siy n ARG 39 N 8.81 0.00 -3.43 4.33 1.74 -1.26 -4.58 116.66 122.26 1siy n ARG 39 Ca 0.37 0.21 -0.23 0.00 -0.77 0.00 0.00 57.85 57.43 1siy n ARG 39 Cb 0.45 -1.07 0.03 0.00 -1.02 0.00 0.00 32.46 30.85 1siy n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1siy s THR 40 N -1.28 1.96 0.25 0.55 -4.23 -1.26 -4.90 115.64 106.73 1siy s THR 40 Ca 0.00 -1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1siy s THR 40 Cb 0.00 -2.19 0.26 0.00 1.34 0.00 0.00 72.50 71.90 1siy s THR 40 CO 0.00 0.00 1.91 0.74 -0.54 0.00 0.00 174.62 176.73 1siy h THR 41 N 0.47 1.20 0.00 3.99 2.02 -1.95 0.25 112.91 118.90 1siy h THR 41 Ca -0.33 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 1siy h THR 41 Cb 1.29 -0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1siy h THR 41 CO 0.49 0.23 -0.01 0.00 0.37 0.00 0.00 175.52 176.60 1siy h ALA 42 N 1.39 1.03 0.10 6.16 0.00 -1.96 0.47 119.26 126.44 1siy h ALA 42 Ca 0.38 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.92 1siy h ALA 42 Cb -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1siy h ALA 42 CO -0.11 0.01 -2.05 -3.47 0.00 0.00 0.00 179.25 173.63 1siy n ASP 43 N -3.13 1.98 -0.03 0.00 2.03 -0.10 -3.66 116.55 113.62 1siy n ASP 43 Ca -0.02 0.17 -0.15 0.00 0.52 0.00 0.00 54.79 55.32 1siy n ASP 43 Cb 0.16 -0.71 -0.09 0.00 -0.72 0.00 0.00 41.12 39.76 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 0.06 0.33 0.00 -0.67 3.08 -0.08 -1.17 114.38 115.93 1siy h ARG 44 Ca -0.44 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.35 1siy h ARG 44 Cb 2.02 0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1siy h ARG 44 CO 0.06 0.90 0.00 -2.13 -1.07 0.00 0.00 179.97 177.73 1siy n ARG 45 N -4.44 0.27 -0.10 0.04 3.00 0.16 -1.92 116.66 113.66 1siy n ARG 45 Ca -0.08 0.09 -0.22 0.00 -0.00 0.00 0.00 57.85 57.64 1siy n ARG 45 Cb 0.49 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.33 1siy n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1siy n ALA 46 N -1.32 1.21 -0.27 5.13 0.00 -1.17 -4.25 120.51 119.84 1siy n ALA 46 Ca 0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 53.44 52.52 1siy n ALA 46 Cb 0.19 -0.20 0.05 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.33 1.25 -0.43 0.00 3.04 -0.91 -1.61 116.25 117.26 1siy h VAL 47 Ca -0.56 -0.77 0.08 0.00 -1.01 0.00 0.00 66.70 64.44 1siy h VAL 47 Cb 1.80 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.43 1siy h VAL 47 CO -0.15 0.31 0.29 0.00 -1.01 0.00 0.00 177.57 177.02 1siy h SER 49 N 0.25 -0.06 -0.54 0.00 0.87 -1.50 -3.20 113.55 109.37 1siy h SER 49 Ca 0.20 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 1siy h SER 49 Cb 0.45 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1siy h SER 49 CO -0.04 0.40 0.25 0.00 -0.53 0.00 0.00 176.83 176.91 1siy h LEU 51 N 0.82 0.00 -0.12 0.00 3.38 -0.24 0.59 115.31 119.74 1siy h LEU 51 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1siy h LEU 51 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1siy h LEU 51 CO -0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.80 1siy n LYS 52 N -4.18 0.15 -0.06 1.13 4.76 -0.21 -0.34 118.16 119.42 1siy n LYS 52 Ca 0.20 0.19 -0.07 0.00 -2.87 0.00 0.00 58.31 55.76 1siy n LYS 52 Cb 1.05 -1.70 -0.06 0.00 -1.84 0.00 0.00 35.03 32.47 1siy n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1siy n ALA 53 N -1.68 1.74 -0.05 7.82 0.00 0.47 -3.13 120.51 125.68 1siy n ALA 53 Ca 0.05 -0.57 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 1siy n ALA 53 Cb 0.35 0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 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 0.16 0.21 -0.02 0.00 0.00 0.01 0.14 119.26 119.76 1siy h ALA 54 Ca -0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1siy h ALA 54 Cb 1.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1siy h ALA 54 CO -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 179.25 178.98 1siy n ALA 55 N -2.35 2.97 0.05 0.00 0.00 0.53 -4.03 120.51 117.68 1siy n ALA 55 Ca -0.05 -0.67 0.11 0.00 0.00 0.00 0.00 53.44 52.82 1siy n ALA 55 Cb 0.27 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 1.38 -1.24 0.00 0.00 0.00 -1.07 -4.47 105.19 99.79 1siy n GLY 56 Ca 0.12 -0.37 0.00 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 -2.23 -0.16 -3.90 4.61 0.00 0.49 -4.88 120.51 114.44 1siy n ALA 57 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 1siy n ALA 57 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.55 -0.38 -2.28 0.00 0.24 -1.26 -4.83 118.33 108.27 1siy n VAL 58 Ca 0.00 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 1siy n VAL 58 Cb 0.00 -0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 31.76 1siy n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1siy s ARG 59 N -6.15 3.36 0.00 7.34 1.81 -1.26 -1.22 118.95 122.83 1siy s ARG 59 Ca 0.34 0.83 0.00 0.00 -1.72 0.00 0.00 55.73 55.17 1siy s ARG 59 Cb -0.20 -4.12 0.00 0.00 -0.45 0.00 0.00 34.95 30.19 1siy s ARG 59 CO 0.79 -1.84 0.00 0.41 -0.68 0.00 0.00 175.30 173.98 1siy n GLY 60 N 5.25 0.27 3.88 -3.53 0.00 -1.26 -5.06 105.19 104.73 1siy n GLY 60 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.08 5.03 -0.35 -0.61 1.09 -0.35 -4.76 121.20 119.16 1siy s ILE 61 Ca 0.00 0.36 -0.22 0.00 -1.10 0.00 0.00 60.65 59.69 1siy s ILE 61 Cb 0.00 -3.64 0.00 0.00 -1.06 0.00 0.00 42.46 37.77 1siy s ILE 61 CO 0.00 0.07 0.70 0.20 -0.10 0.00 0.00 174.94 175.81 1siy s ASN 62 N -2.20 6.50 0.54 3.58 0.01 -0.51 -4.92 114.94 117.93 1siy s ASN 62 Ca 0.42 0.31 0.32 0.00 -0.71 0.00 0.00 52.86 53.19 1siy s ASN 62 Cb -0.12 -2.36 1.47 0.00 0.41 0.00 0.00 41.25 40.64 1siy s ASN 62 CO 0.21 -0.63 2.04 -0.65 -1.51 0.00 0.00 177.10 176.56 1siy h PRO 63 N 8.40 0.00 -0.33 -0.60 0.11 -1.91 -0.44 132.00 137.22 1siy h PRO 63 Ca -0.26 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1siy h PRO 63 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1siy h PRO 63 CO 0.86 0.08 0.22 -0.91 -0.21 0.00 0.00 178.00 178.04 1siy h ASN 64 N 0.00 0.36 1.79 -2.05 4.21 -1.93 -0.43 115.58 117.53 1siy h ASN 64 Ca -0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1siy h ASN 64 Cb 0.44 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1siy h ASN 64 CO 0.01 0.26 -0.15 0.78 -1.29 0.00 0.00 177.43 177.03 1siy h ASN 65 N 0.42 0.00 -0.13 5.81 2.35 -1.35 -2.45 115.58 120.23 1siy h ASN 65 Ca 0.13 -0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 1siy h ASN 65 Cb -0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.37 1siy h ASN 65 CO -0.03 0.00 -0.76 0.00 -1.65 0.00 0.00 177.43 174.99 1siy h ALA 66 N 2.06 0.27 0.00 -0.83 0.00 -0.94 0.24 119.26 120.06 1siy h ALA 66 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1siy h ALA 66 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1siy h ALA 66 CO 0.00 0.64 -0.29 1.05 0.00 0.00 0.00 179.25 180.65 1siy h GLU 67 N 0.46 0.00 0.00 0.00 4.11 -1.46 -2.91 114.58 114.78 1siy h GLU 67 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1siy h GLU 67 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1siy h GLU 67 CO 0.16 0.00 -0.34 0.00 0.07 0.00 0.00 179.01 178.90 1siy h ALA 68 N 2.28 0.80 -0.27 1.06 0.00 -1.33 -3.38 119.26 118.43 1siy h ALA 68 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1siy h ALA 68 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1siy h ALA 68 CO 0.00 0.00 -0.03 1.25 0.00 0.00 0.00 179.25 180.47 1siy h LEU 69 N 0.00 -0.16 -0.57 0.00 6.46 -0.31 -1.54 115.31 119.18 1siy h LEU 69 Ca 0.00 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1siy h LEU 69 Cb 0.86 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 1siy h LEU 69 CO 0.00 -0.05 0.22 1.55 -0.62 0.00 0.00 178.44 179.55 1siy h PRO 70 N 0.05 0.86 0.22 5.25 0.13 -1.74 -3.32 132.00 133.45 1siy h PRO 70 Ca 0.13 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1siy h PRO 70 Cb 0.18 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 1siy h PRO 70 CO -0.24 0.75 -0.23 0.78 -0.23 0.00 0.00 178.00 178.83 1siy h GLY 71 N 0.79 -0.50 0.68 1.56 0.00 -1.52 -2.15 103.07 101.93 1siy h GLY 71 Ca 0.19 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1siy h GLY 71 CO -0.01 -0.22 0.00 0.58 0.00 0.00 0.00 176.54 176.89 1siy n LYS 72 N -5.36 0.67 -0.10 4.80 -0.00 -0.66 -1.87 118.16 115.64 1siy n LYS 72 Ca -0.08 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1siy n LYS 72 Cb 0.27 -1.34 0.10 0.00 -0.00 0.00 0.00 35.03 34.05 1siy n LYS 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1siy n GLY 74 N 0.36 0.92 3.39 0.00 0.00 -0.78 -4.94 105.19 104.14 1siy n GLY 74 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.74 5.46 -0.87 1.61 -7.23 -1.10 -4.95 120.40 109.57 1siy s VAL 75 Ca 0.00 -2.74 -0.18 0.00 -1.81 0.00 0.00 61.98 57.25 1siy s VAL 75 Cb 0.00 -4.70 0.14 0.00 0.56 0.00 0.00 36.38 32.38 1siy s VAL 75 CO 0.00 -1.33 1.03 0.21 -0.31 0.00 0.00 175.10 174.69 1siy s ASN 76 N 2.27 6.58 0.37 4.85 2.47 -1.26 -4.47 114.94 125.74 1siy s ASN 76 Ca 0.32 -2.01 0.04 0.00 0.42 0.00 0.00 52.86 51.63 1siy s ASN 76 Cb -0.07 -2.36 -0.01 0.00 -1.45 0.00 0.00 41.25 37.35 1siy s ASN 76 CO -0.06 -1.03 0.54 0.27 -3.72 0.00 0.00 177.10 173.10 1siy s ILE 77 N 2.42 4.26 0.18 -5.21 -0.00 -1.26 -5.03 121.20 116.56 1siy s ILE 77 Ca 0.28 -0.77 -0.17 0.00 -0.00 0.00 0.00 60.65 60.00 1siy s ILE 77 Cb -0.08 -3.52 0.14 0.00 -0.00 0.00 0.00 42.46 39.00 1siy s ILE 77 CO -0.07 -0.27 1.64 1.55 -0.00 0.00 0.00 174.94 177.79 1siy h PRO 78 N 0.73 -0.04 -7.55 0.37 0.13 -1.95 -3.42 132.00 120.26 1siy h PRO 78 Ca -0.47 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 1siy h PRO 78 Cb 1.25 0.01 0.09 0.00 0.13 0.00 0.00 31.00 32.48 1siy h PRO 78 CO 0.56 -0.03 0.38 1.52 -0.23 0.00 0.00 178.00 180.20 1siy s TYR 79 N -6.19 2.99 -0.15 1.56 -0.85 -1.26 -5.00 117.35 108.44 1siy s TYR 79 Ca -0.14 0.74 0.17 0.00 -0.52 0.00 0.00 57.07 57.32 1siy s TYR 79 Cb 0.16 -3.40 0.35 0.00 0.38 0.00 0.00 41.96 39.44 1siy s TYR 79 CO 0.71 -1.65 1.20 1.17 -1.52 0.00 0.00 175.55 175.46 1siy n LYS 80 N -3.22 1.54 0.00 -3.49 3.00 -1.26 -4.97 118.16 109.75 1siy n LYS 80 Ca 0.08 -2.75 0.00 0.00 -0.00 0.00 0.00 58.31 55.64 1siy n LYS 80 Cb 0.60 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1siy n LYS 80 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1siy n ILE 81 N -1.27 0.00 -0.52 3.15 -6.64 -1.26 -4.79 119.36 108.02 1siy n ILE 81 Ca 0.18 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.86 1siy n ILE 81 Cb 0.69 0.00 0.27 0.00 -1.44 0.00 0.00 39.64 39.16 1siy n ILE 81 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 1siy s SER 82 N 0.00 -0.12 0.51 7.28 0.01 -1.26 -4.79 113.70 115.33 1siy s SER 82 Ca 0.00 1.06 0.23 0.00 1.31 0.00 0.00 55.95 58.55 1siy s SER 82 Cb 0.00 -1.57 1.36 0.00 0.21 0.00 0.00 66.02 66.02 1siy s SER 82 CO 0.00 -4.81 2.08 0.71 0.41 0.00 0.00 173.24 171.63 1siy h THR 83 N -3.04 0.77 -0.04 1.44 1.35 -1.95 -3.04 112.91 108.38 1siy h THR 83 Ca -0.51 -0.45 0.01 0.00 -0.55 0.00 0.00 66.41 64.92 1siy h THR 83 Cb 1.34 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1siy h THR 83 CO 0.38 0.11 0.03 0.28 -0.25 0.00 0.00 175.52 176.07 1siy h SER 84 N 0.00 0.00 1.60 5.36 0.02 -1.96 0.10 113.55 118.67 1siy h SER 84 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1siy h SER 84 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1siy h SER 84 CO 0.01 0.00 -0.12 0.00 -1.14 0.00 0.00 176.83 175.58 1siy h THR 85 N 0.00 0.00 0.00 -2.27 1.03 -1.88 -3.47 112.91 106.32 1siy h THR 85 Ca 0.02 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.70 1siy h THR 85 Cb 0.09 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1siy h THR 85 CO -0.00 0.00 0.00 -3.20 -0.01 0.00 0.00 175.52 172.31 1siy n ASN 86 N -2.61 0.00 0.00 0.00 5.15 0.35 -4.03 115.26 114.12 1siy n ASN 86 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1siy n ASN 86 Cb 0.48 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 1siy n ASN 86 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1siy h ASN 88 N 0.00 0.00 -1.56 0.00 4.21 -1.95 -3.32 115.58 112.97 1siy h ASN 88 Ca 0.00 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.31 1siy h ASN 88 Cb 0.00 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 36.94 1siy h ASN 88 CO 0.00 0.01 -0.55 -0.55 -1.29 0.00 0.00 177.43 175.05 1siy s SER 89 N -5.87 0.02 -0.11 5.81 0.15 -1.26 -4.96 113.70 107.48 1siy s SER 89 Ca -0.05 -0.84 0.09 0.00 0.70 0.00 0.00 55.95 55.85 1siy s SER 89 Cb 0.14 1.21 -0.13 0.00 -1.71 0.00 0.00 66.02 65.53 1siy s SER 89 CO 0.51 -0.27 0.03 2.30 1.20 0.00 0.00 173.24 177.00 1siy n ILE 90 N 4.76 0.75 -0.34 6.45 -5.35 -1.25 -4.93 119.36 119.45 1siy n ILE 90 Ca 0.07 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1siy n ILE 90 Cb 0.50 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 1siy n ILE 90 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38