#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 0.20 -2.00 1.12 -1.32 -1.26 -5.00 115.64 107.38 1siy s THR 2 Ca 0.00 -1.65 0.03 0.00 -1.21 0.00 0.00 61.69 58.86 1siy s THR 2 Cb 0.00 -1.41 0.08 0.00 -1.51 0.00 0.00 72.50 69.67 1siy s THR 2 CO 0.00 -0.91 0.61 0.00 -2.21 0.00 0.00 174.62 172.11 1siy n GLY 4 N -0.08 -1.12 0.11 0.00 0.00 -1.26 -2.80 105.19 100.04 1siy n GLY 4 Ca 0.02 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 0.23 0.00 1.61 4.15 -0.47 -2.95 115.11 117.68 1siy h GLN 5 Ca -0.07 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 1siy h GLN 5 Cb 1.17 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 1siy h GLN 5 CO 0.01 0.85 -0.18 -0.24 -1.93 0.00 0.00 178.83 177.34 1siy h VAL 6 N -0.33 0.42 -0.27 2.39 3.04 -1.70 -2.77 116.25 117.02 1siy h VAL 6 Ca -0.02 -1.05 -0.04 0.00 -1.01 0.00 0.00 66.70 64.58 1siy h VAL 6 Cb 0.90 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.94 1siy h VAL 6 CO 0.05 0.18 -0.02 -0.61 -1.01 0.00 0.00 177.57 176.15 1siy h GLN 7 N 0.00 0.42 0.00 4.17 4.15 -1.45 -1.37 115.11 121.03 1siy h GLN 7 Ca -0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1siy h GLN 7 Cb 0.76 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 1siy h GLN 7 CO 0.02 0.46 -0.05 0.78 -1.93 0.00 0.00 178.83 178.11 1siy h GLY 8 N 0.76 0.00 0.88 2.39 0.00 -1.31 0.54 103.07 106.32 1siy h GLY 8 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1siy h GLY 8 CO 0.01 0.00 0.03 -0.57 0.00 0.00 0.00 176.54 176.01 1siy h ASN 9 N 0.00 0.08 0.44 0.19 -0.73 -1.36 -3.21 115.58 110.98 1siy h ASN 9 Ca -0.00 -0.13 -0.29 0.00 1.87 0.00 0.00 56.30 57.75 1siy h ASN 9 Cb 0.10 -0.02 0.02 0.00 0.27 0.00 0.00 38.32 38.69 1siy h ASN 9 CO 0.01 0.19 -1.28 -0.07 -0.37 0.00 0.00 177.43 175.91 1siy h LEU 10 N -0.04 0.61 -0.83 0.34 -0.00 -1.38 -3.35 115.31 110.66 1siy h LEU 10 Ca 0.02 -0.62 0.11 0.00 -0.00 0.00 0.00 57.88 57.39 1siy h LEU 10 Cb 0.13 -0.20 -0.08 0.00 -0.00 0.00 0.00 40.66 40.52 1siy h LEU 10 CO -0.00 1.47 0.45 0.00 -0.00 0.00 0.00 178.44 180.37 1siy h ALA 11 N 0.44 1.20 -0.01 1.53 0.00 0.05 0.30 119.26 122.78 1siy h ALA 11 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1siy h ALA 11 Cb 1.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1siy h ALA 11 CO 0.23 0.03 -0.11 1.04 0.00 0.00 0.00 179.25 180.43 1siy n GLN 12 N -4.79 1.08 -0.04 0.00 6.02 -1.22 -2.79 117.38 115.65 1siy n GLN 12 Ca 0.15 -0.54 0.04 0.00 -0.01 0.00 0.00 57.00 56.63 1siy n GLN 12 Cb 0.33 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 30.16 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 1.44 0.71 0.32 0.00 2.04 -0.34 1.02 117.51 122.70 1siy h ILE 14 Ca 0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1siy h ILE 14 Cb 0.43 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1siy h ILE 14 CO 0.00 0.04 -0.24 1.23 0.00 0.00 0.00 178.15 179.18 1siy h GLY 15 N 0.22 -0.88 1.49 5.37 0.00 -1.82 0.17 103.07 107.62 1siy h GLY 15 Ca 0.37 0.38 0.00 0.00 0.00 0.00 0.00 47.33 48.08 1siy h GLY 15 CO -0.08 -0.30 0.32 -2.75 0.00 0.00 0.00 176.54 173.73 1siy h PHE 16 N -0.54 0.65 -0.57 5.60 3.57 -1.37 0.63 116.94 124.92 1siy h PHE 16 Ca -0.04 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1siy h PHE 16 Cb 0.44 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1siy h PHE 16 CO -0.07 0.43 0.23 -0.07 -2.23 0.00 0.00 178.31 176.60 1siy h LEU 17 N 0.69 0.26 0.00 0.59 4.07 0.12 0.25 115.31 121.30 1siy h LEU 17 Ca 0.18 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1siy h LEU 17 Cb -0.05 0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1siy h LEU 17 CO -0.04 0.17 -0.28 1.56 -1.08 0.00 0.00 178.44 178.77 1siy h GLN 18 N 0.43 0.00 -0.36 1.13 4.20 0.11 -3.35 115.11 117.26 1siy h GLN 18 Ca 0.28 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.89 1siy h GLN 18 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1siy h GLN 18 CO -0.26 0.00 -0.17 -0.22 -0.67 0.00 0.00 178.83 177.52 1siy h LYS 19 N -0.79 0.67 -0.51 1.46 3.64 0.15 -3.47 116.57 117.71 1siy h LYS 19 Ca 0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1siy h LYS 19 Cb 0.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1siy h LYS 19 CO 0.00 0.80 0.00 0.41 -2.27 0.00 0.00 179.45 178.39 1siy n GLY 20 N -0.41 0.72 2.99 5.01 0.00 0.89 -5.00 105.19 109.38 1siy n GLY 20 Ca 0.01 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1siy n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1siy s GLY 21 N -2.96 -0.09 0.29 -0.02 0.00 -1.25 -5.01 107.32 98.28 1siy s GLY 21 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1siy s GLY 21 CO 0.00 1.62 0.00 3.33 0.00 0.00 0.00 173.10 178.05 1siy n VAL 22 N 4.90 -7.98 -3.91 1.40 0.24 -1.26 -3.71 118.33 108.00 1siy n VAL 22 Ca -0.14 2.65 -0.35 0.00 -2.04 0.00 0.00 64.34 64.46 1siy n VAL 22 Cb 0.51 -3.96 -0.13 0.00 -1.47 0.00 0.00 33.84 28.79 1siy n VAL 22 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1siy s VAL 23 N -1.36 3.78 0.36 3.34 1.01 -1.26 -4.03 120.40 122.24 1siy s VAL 23 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 1siy s VAL 23 Cb 0.00 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.55 1siy s VAL 23 CO 0.00 0.40 0.97 -2.84 0.00 0.00 0.00 175.10 173.63 1siy s PRO 24 N 1.39 4.42 0.33 2.72 0.02 -1.26 -4.93 135.00 137.69 1siy s PRO 24 Ca 0.05 1.33 0.22 0.00 0.02 0.00 0.00 61.00 62.63 1siy s PRO 24 Cb -0.15 -2.62 1.22 0.00 0.02 0.00 0.00 34.50 32.97 1siy s PRO 24 CO 0.00 0.12 1.69 -2.30 -0.33 0.00 0.00 177.00 176.18 1siy n PRO 25 N 0.18 0.15 0.05 5.54 -0.02 -1.26 -1.19 135.00 138.44 1siy n PRO 25 Ca 0.04 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1siy n PRO 25 Cb 0.51 -1.98 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.16 -0.29 2.55 0.02 -1.93 -1.01 113.55 112.73 1siy h SER 26 Ca 0.00 -0.39 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1siy h SER 26 Cb 0.01 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1siy h SER 26 CO 0.00 0.39 -0.04 0.00 -1.14 0.00 0.00 176.83 176.04 1siy h THR 29 N 0.91 1.16 -0.18 0.00 2.02 -0.81 -0.50 112.91 115.50 1siy h THR 29 Ca 0.46 -0.45 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 1siy h THR 29 Cb 0.51 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1siy h THR 29 CO -0.23 0.16 -0.28 1.23 0.37 0.00 0.00 175.52 176.77 1siy h GLY 30 N 0.37 0.38 1.00 2.16 0.00 -0.29 0.15 103.07 106.84 1siy h GLY 30 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1siy h GLY 30 CO -0.01 0.28 0.28 -2.08 0.00 0.00 0.00 176.54 175.01 1siy h VAL 31 N 0.31 1.11 0.00 4.60 2.07 0.34 -1.29 116.25 123.39 1siy h VAL 31 Ca 0.04 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1siy h VAL 31 Cb 0.66 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1siy h VAL 31 CO 0.05 0.10 -0.02 0.11 0.02 0.00 0.00 177.57 177.83 1siy h LYS 32 N 0.57 0.00 -0.01 1.57 1.57 -0.30 -2.44 116.57 117.52 1siy h LYS 32 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1siy h LYS 32 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1siy h LYS 32 CO -0.03 0.02 -0.00 -0.91 -0.57 0.00 0.00 179.45 177.95 1siy h ASN 33 N 0.00 0.02 0.60 0.86 4.21 0.38 0.45 115.58 122.11 1siy h ASN 33 Ca -0.00 -0.34 -0.02 0.00 1.21 0.00 0.00 56.30 57.15 1siy h ASN 33 Cb 0.45 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1siy h ASN 33 CO 0.00 0.36 -0.09 0.40 -1.29 0.00 0.00 177.43 176.81 1siy h ILE 34 N -0.32 0.33 0.00 2.81 5.03 -0.96 0.37 117.51 124.78 1siy h ILE 34 Ca 0.00 -0.57 0.00 0.00 -0.12 0.00 0.00 64.86 64.17 1siy h ILE 34 Cb 0.35 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 35.56 1siy h ILE 34 CO 0.00 0.09 -0.50 0.18 -0.68 0.00 0.00 178.15 177.24 1siy n LEU 35 N -3.36 1.37 0.05 1.44 4.32 -0.96 -4.36 117.00 115.51 1siy n LEU 35 Ca -0.01 0.44 -0.23 0.00 -0.02 0.00 0.00 56.01 56.19 1siy n LEU 35 Cb 0.27 -0.74 -0.15 0.00 -1.62 0.00 0.00 43.42 41.18 1siy n LEU 35 CO 0.28 -0.43 -0.54 -1.13 -1.22 0.00 0.00 177.39 174.35 1siy h ASN 36 N -0.74 0.56 0.54 -1.43 -1.24 -0.20 -3.36 115.58 109.72 1siy h ASN 36 Ca 0.00 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.08 1siy h ASN 36 Cb 0.50 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1siy h ASN 36 CO 0.00 1.77 -0.14 -0.24 -1.29 0.00 0.00 177.43 177.52 1siy n SER 37 N -3.65 0.34 -4.59 1.15 2.88 0.17 -4.73 113.62 105.19 1siy n SER 37 Ca -0.26 -0.24 -0.44 0.00 -1.33 0.00 0.00 58.87 56.60 1siy n SER 37 Cb 1.04 -0.13 -0.04 0.00 -0.75 0.00 0.00 64.21 64.33 1siy n SER 37 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1siy n SER 38 N -1.19 3.19 -0.16 -3.46 2.88 0.11 -4.84 113.62 110.15 1siy n SER 38 Ca 0.11 0.29 -0.10 0.00 -1.33 0.00 0.00 58.87 57.84 1siy n SER 38 Cb 0.30 -1.52 -0.00 0.00 -0.75 0.00 0.00 64.21 62.24 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 14.34 0.85 -5.08 -1.46 2.43 -1.89 -3.46 114.38 120.12 1siy h ARG 39 Ca -0.40 -0.30 -0.51 0.00 -0.81 0.00 0.00 59.98 57.96 1siy h ARG 39 Cb 1.25 -0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.61 1siy h ARG 39 CO 0.97 0.93 -0.55 0.95 -1.51 0.00 0.00 179.97 180.75 1siy s THR 40 N -4.89 0.76 0.17 0.20 -4.23 -1.26 -5.00 115.64 101.39 1siy s THR 40 Ca -0.12 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.29 1siy s THR 40 Cb 0.11 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1siy s THR 40 CO 0.83 0.00 1.58 0.74 -0.54 0.00 0.00 174.62 177.23 1siy h THR 41 N 1.95 1.27 0.00 3.99 2.02 -1.98 -1.06 112.91 119.10 1siy h THR 41 Ca -0.37 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1siy h THR 41 Cb 1.26 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1siy h THR 41 CO 0.61 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.96 1siy h ALA 42 N 0.91 1.00 0.10 6.16 0.00 -1.98 0.91 119.26 126.36 1siy h ALA 42 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1siy h ALA 42 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1siy h ALA 42 CO 0.05 0.00 -0.92 0.22 0.00 0.00 0.00 179.25 178.61 1siy h ASP 43 N 0.00 0.32 1.00 0.00 3.58 -1.77 -3.28 116.42 116.27 1siy h ASP 43 Ca 0.00 -0.89 -0.17 0.00 0.42 0.00 0.00 57.03 56.39 1siy h ASP 43 Cb 0.13 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1siy h ASP 43 CO 0.00 1.41 -0.83 -0.09 -2.88 0.00 0.00 179.24 176.85 1siy h ARG 44 N -0.51 0.00 0.61 0.28 2.43 -0.36 -1.77 114.38 115.06 1siy h ARG 44 Ca -0.19 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1siy h ARG 44 Cb 1.54 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 1siy h ARG 44 CO 0.06 0.83 -0.36 -0.09 -1.51 0.00 0.00 179.97 178.91 1siy h ARG 45 N 0.00 -0.88 -0.16 0.20 2.43 0.68 -0.89 114.38 115.76 1siy h ARG 45 Ca -0.01 0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1siy h ARG 45 Cb 1.56 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.30 1siy h ARG 45 CO 0.11 -0.59 -0.54 0.00 -1.51 0.00 0.00 179.97 177.45 1siy h ALA 46 N -0.58 0.79 -0.73 2.80 0.00 -1.62 -2.62 119.26 117.30 1siy h ALA 46 Ca -0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1siy h ALA 46 Cb 0.73 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1siy h ALA 46 CO 0.09 0.68 0.25 -0.24 0.00 0.00 0.00 179.25 180.03 1siy h VAL 47 N 0.35 1.25 0.03 0.00 3.04 -1.17 -0.47 116.25 119.28 1siy h VAL 47 Ca 0.01 -0.86 -0.23 0.00 -1.01 0.00 0.00 66.70 64.61 1siy h VAL 47 Cb 1.05 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1siy h VAL 47 CO 0.10 0.34 -1.00 0.00 -1.01 0.00 0.00 177.57 176.00 1siy h SER 49 N 0.17 0.59 1.27 0.00 0.87 -1.10 -0.61 113.55 114.74 1siy h SER 49 Ca -0.08 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.22 1siy h SER 49 Cb 1.65 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 1siy h SER 49 CO 0.17 0.60 -0.39 0.00 -0.53 0.00 0.00 176.83 176.68 1siy h LEU 51 N 0.00 -0.63 -1.30 0.00 5.85 -0.45 0.49 115.31 119.26 1siy h LEU 51 Ca -0.00 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1siy h LEU 51 Cb 1.13 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1siy h LEU 51 CO 0.05 -0.40 -0.32 0.07 -0.34 0.00 0.00 178.44 177.50 1siy h LYS 52 N -0.63 0.05 -0.57 1.25 2.10 -1.11 -2.41 116.57 115.24 1siy h LYS 52 Ca -0.04 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.48 1siy h LYS 52 Cb 0.52 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 1siy h LYS 52 CO 0.04 0.36 -0.07 0.00 -2.00 0.00 0.00 179.45 177.78 1siy h ALA 53 N 1.64 0.78 -0.66 0.07 0.00 -1.17 -2.95 119.26 116.97 1siy h ALA 53 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1siy h ALA 53 Cb 0.59 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1siy h ALA 53 CO 0.04 0.68 0.44 0.00 0.00 0.00 0.00 179.25 180.41 1siy h ALA 54 N 0.95 1.65 -0.16 0.00 0.00 -0.38 0.68 119.26 122.01 1siy h ALA 54 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1siy h ALA 54 Cb 0.64 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1siy h ALA 54 CO 0.04 0.27 -0.18 0.00 0.00 0.00 0.00 179.25 179.38 1siy h ALA 55 N 1.62 1.39 -0.01 0.00 0.00 -1.43 -0.09 119.26 120.74 1siy h ALA 55 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1siy h ALA 55 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1siy h ALA 55 CO -0.08 0.42 -0.66 0.41 0.00 0.00 0.00 179.25 179.34 1siy n GLY 56 N -0.71 -0.59 0.08 0.00 0.00 -0.34 -3.99 105.19 99.64 1siy n GLY 56 Ca -0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1siy n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1siy h ALA 57 N 3.41 0.11 -1.97 4.61 0.00 0.81 -3.45 119.26 122.79 1siy h ALA 57 Ca 0.00 -0.78 -0.60 0.00 0.00 0.00 0.00 54.91 53.53 1siy h ALA 57 Cb 0.60 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1siy h ALA 57 CO 0.00 0.54 0.60 0.08 0.00 0.00 0.00 179.25 180.48 1siy s VAL 58 N -2.25 4.51 -1.20 0.00 1.01 -0.09 -4.88 120.40 117.50 1siy s VAL 58 Ca -0.20 0.97 0.22 0.00 0.00 0.00 0.00 61.98 62.97 1siy s VAL 58 Cb 0.03 -4.39 0.27 0.00 0.00 0.00 0.00 36.38 32.30 1siy s VAL 58 CO 0.38 -0.70 1.70 -2.11 0.00 0.00 0.00 175.10 174.37 1siy n ARG 59 N 7.01 0.15 -0.12 2.72 1.85 -1.26 -1.55 116.66 125.45 1siy n ARG 59 Ca 0.07 0.11 0.07 0.00 -1.00 0.00 0.00 57.85 57.09 1siy n ARG 59 Cb 0.48 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.52 1siy n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1siy n GLY 60 N 0.65 1.56 0.09 2.89 0.00 -1.26 -4.40 105.19 104.72 1siy n GLY 60 Ca 0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 1siy n GLY 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1siy h ILE 61 N 2.46 0.86 -5.28 -0.61 6.09 -1.52 -3.23 117.51 116.28 1siy h ILE 61 Ca 0.00 -2.47 0.01 0.00 -1.37 0.00 0.00 64.86 61.03 1siy h ILE 61 Cb 0.68 2.34 -0.08 0.00 0.47 0.00 0.00 36.82 40.23 1siy h ILE 61 CO 0.00 0.49 -1.22 0.59 -3.07 0.00 0.00 178.15 174.94 1siy n ASN 62 N -3.07 -3.27 -0.32 2.19 3.02 -1.25 -4.04 115.26 108.52 1siy n ASN 62 Ca -0.08 1.26 0.18 0.00 -0.03 0.00 0.00 54.58 55.91 1siy n ASN 62 Cb 0.90 -4.53 0.36 0.00 -0.61 0.00 0.00 39.78 35.90 1siy n ASN 62 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1siy h PRO 63 N 4.05 0.11 -0.32 3.52 0.11 -1.87 0.40 132.00 138.00 1siy h PRO 63 Ca -0.35 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1siy h PRO 63 Cb 0.84 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1siy h PRO 63 CO 0.03 0.07 0.10 -0.91 -0.21 0.00 0.00 178.00 177.08 1siy h ASN 64 N 0.11 0.41 0.64 -2.05 4.21 -1.93 -1.13 115.58 115.83 1siy h ASN 64 Ca 0.64 -0.04 -0.26 0.00 1.21 0.00 0.00 56.30 57.85 1siy h ASN 64 Cb 1.42 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 38.52 1siy h ASN 64 CO -0.76 0.40 -1.15 0.78 -1.29 0.00 0.00 177.43 175.40 1siy h ASN 65 N 0.45 0.37 -0.74 5.81 2.35 -0.48 -2.60 115.58 120.74 1siy h ASN 65 Ca 0.11 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.46 1siy h ASN 65 Cb 0.14 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1siy h ASN 65 CO -0.01 1.27 0.37 0.00 -1.65 0.00 0.00 177.43 177.42 1siy h ALA 66 N 0.68 0.95 -0.37 -0.83 0.00 -0.37 -1.41 119.26 117.91 1siy h ALA 66 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1siy h ALA 66 Cb 1.87 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1siy h ALA 66 CO 0.19 0.50 0.00 -0.85 0.00 0.00 0.00 179.25 179.08 1siy n GLU 67 N -4.43 1.96 0.01 0.00 0.28 -0.51 -3.32 120.64 114.63 1siy n GLU 67 Ca 0.06 -1.48 0.11 0.00 -0.16 0.00 0.00 57.16 55.70 1siy n GLU 67 Cb 0.12 -1.36 -0.05 0.00 1.43 0.00 0.00 31.44 31.58 1siy n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1siy n ALA 68 N 0.69 3.74 0.13 -1.84 0.00 -0.56 -4.43 120.51 118.24 1siy n ALA 68 Ca 0.15 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 1siy n ALA 68 Cb 0.37 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 1siy n ALA 68 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1siy h LEU 69 N 0.00 -0.21 -1.88 0.00 3.38 -1.47 -2.55 115.31 112.58 1siy h LEU 69 Ca 0.00 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.14 1siy h LEU 69 Cb 0.70 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1siy h LEU 69 CO 0.00 -0.13 0.48 1.55 0.09 0.00 0.00 178.44 180.43 1siy h PRO 70 N -0.27 0.11 0.00 1.13 0.13 -1.81 0.10 132.00 131.39 1siy h PRO 70 Ca -0.03 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 1siy h PRO 70 Cb 0.21 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1siy h PRO 70 CO 0.04 0.07 -0.28 0.78 -0.23 0.00 0.00 178.00 178.39 1siy h GLY 71 N 0.11 0.00 -0.79 1.56 0.00 -1.70 -1.93 103.07 100.32 1siy h GLY 71 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1siy h GLY 71 CO -0.04 0.00 -0.58 0.28 0.00 0.00 0.00 176.54 176.20 1siy n LYS 72 N -3.32 0.99 -0.03 4.80 4.01 -0.07 -4.40 118.16 120.14 1siy n LYS 72 Ca 0.01 -0.79 0.04 0.00 -0.51 0.00 0.00 58.31 57.06 1siy n LYS 72 Cb 0.52 -1.47 0.06 0.00 -0.51 0.00 0.00 35.03 33.63 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 -0.91 0.35 2.63 0.00 0.00 -1.12 -4.90 105.19 101.24 1siy n GLY 74 Ca 0.07 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.27 1.45 -0.88 1.61 -7.23 -0.74 -5.05 120.40 107.29 1siy s VAL 75 Ca 0.00 -3.25 -0.22 0.00 -1.81 0.00 0.00 61.98 56.71 1siy s VAL 75 Cb 0.00 -1.98 0.08 0.00 0.56 0.00 0.00 36.38 35.05 1siy s VAL 75 CO 0.00 -1.10 1.21 0.20 -0.31 0.00 0.00 175.10 175.10 1siy s ASN 76 N -0.47 6.45 0.14 4.85 -0.87 -1.26 -4.57 114.94 119.21 1siy s ASN 76 Ca 0.28 -1.49 -0.01 0.00 -1.57 0.00 0.00 52.86 50.07 1siy s ASN 76 Cb -0.03 -2.47 -0.04 0.00 -0.02 0.00 0.00 41.25 38.68 1siy s ASN 76 CO -0.16 -1.36 0.32 0.27 -2.57 0.00 0.00 177.10 173.60 1siy s ILE 77 N 3.99 5.27 -0.14 0.60 -5.25 -1.26 -5.00 121.20 119.40 1siy s ILE 77 Ca 0.35 -0.35 0.29 0.00 -0.99 0.00 0.00 60.65 59.95 1siy s ILE 77 Cb -0.06 -3.68 0.32 0.00 2.95 0.00 0.00 42.46 41.98 1siy s ILE 77 CO -0.03 -0.03 1.87 -0.65 -1.79 0.00 0.00 174.94 174.31 1siy h PRO 78 N 2.50 0.00 -6.42 0.37 0.11 -2.02 -3.43 132.00 123.12 1siy h PRO 78 Ca -0.47 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.10 1siy h PRO 78 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1siy h PRO 78 CO 0.71 0.00 0.10 1.52 -0.21 0.00 0.00 178.00 180.13 1siy s TYR 79 N -3.54 3.87 0.21 0.65 -0.85 -1.26 -5.06 117.35 111.37 1siy s TYR 79 Ca 0.02 1.51 0.08 0.00 -0.52 0.00 0.00 57.07 58.15 1siy s TYR 79 Cb 0.09 -2.67 -0.04 0.00 0.38 0.00 0.00 41.96 39.72 1siy s TYR 79 CO 0.44 0.54 0.02 0.15 -1.52 0.00 0.00 175.55 175.18 1siy s LYS 80 N -1.12 2.44 0.00 -3.49 -0.14 -1.26 -4.98 119.74 111.18 1siy s LYS 80 Ca 0.33 -1.20 0.25 0.00 -1.36 0.00 0.00 55.97 54.00 1siy s LYS 80 Cb -0.22 -2.32 1.48 0.00 -1.68 0.00 0.00 37.83 35.09 1siy s LYS 80 CO 0.24 0.42 1.88 -0.89 -0.76 0.00 0.00 175.35 176.23 1siy n ILE 81 N -0.49 0.00 -1.84 2.17 -0.00 -1.26 -4.66 119.36 113.28 1siy n ILE 81 Ca -0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.27 1siy n ILE 81 Cb 0.57 -0.52 0.02 0.00 -0.00 0.00 0.00 39.64 39.70 1siy n ILE 81 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1siy s SER 82 N -1.92 5.72 0.11 4.38 0.01 -1.26 -4.22 113.70 116.51 1siy s SER 82 Ca 0.37 2.82 0.16 0.00 1.31 0.00 0.00 55.95 60.61 1siy s SER 82 Cb 0.17 -2.64 0.71 0.00 0.21 0.00 0.00 66.02 64.46 1siy s SER 82 CO 0.29 -1.27 1.51 0.35 0.41 0.00 0.00 173.24 174.52 1siy n THR 83 N -0.46 1.06 0.91 1.44 -2.24 -1.26 -2.02 114.28 111.71 1siy n THR 83 Ca 0.07 0.30 0.13 0.00 -2.27 0.00 0.00 64.05 62.28 1siy n THR 83 Cb 0.43 -1.16 0.48 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.79 0.28 -4.75 3.42 3.41 -1.26 -4.85 113.62 108.07 1siy n SER 84 Ca 0.02 0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 58.57 1siy n SER 84 Cb 0.16 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 1siy n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1siy s THR 85 N -3.03 3.59 -0.41 6.66 2.01 -0.85 -5.01 115.64 118.59 1siy s THR 85 Ca 0.12 1.54 -0.11 0.00 0.31 0.00 0.00 61.69 63.55 1siy s THR 85 Cb 0.17 -3.98 0.06 0.00 0.01 0.00 0.00 72.50 68.76 1siy s THR 85 CO 0.59 0.35 0.27 0.54 -0.69 0.00 0.00 174.62 175.67 1siy s ASN 86 N -0.71 5.79 0.00 3.53 2.20 -1.26 -4.92 114.94 119.57 1siy s ASN 86 Ca 0.45 -1.27 0.21 0.00 -0.94 0.00 0.00 52.86 51.31 1siy s ASN 86 Cb -0.31 -2.05 0.56 0.00 -2.00 0.00 0.00 41.25 37.45 1siy s ASN 86 CO 0.39 -0.50 1.46 0.00 -2.94 0.00 0.00 177.10 175.50 1siy n ASN 88 N 0.89 2.39 0.00 0.00 6.94 -1.26 -4.37 115.26 119.85 1siy n ASN 88 Ca 0.17 -2.26 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 1siy n ASN 88 Cb 0.45 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 1siy n ASN 88 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1siy n SER 89 N 0.21 0.00 0.00 0.53 3.41 -1.25 -5.11 113.62 111.41 1siy n SER 89 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1siy n SER 89 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1siy n SER 89 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1siy n ILE 90 N -0.08 0.00 0.00 -1.33 -5.35 -1.26 -4.97 119.36 106.37 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