#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 s ASP 2 N 0.00 4.00 0.00 3.42 2.15 -1.26 -4.98 116.67 120.00 3i56 s ASP 2 Ca 0.00 -2.27 0.14 0.00 0.43 0.00 0.00 52.55 50.85 3i56 s ASP 2 Cb 0.00 -1.12 0.50 0.00 -0.30 0.00 0.00 42.92 42.00 3i56 s ASP 2 CO 0.00 -0.33 1.37 0.18 -0.17 0.00 0.00 175.17 176.22 3i56 n LEU 3 N 4.04 1.52 -0.07 -1.34 4.77 -1.26 -4.29 117.00 120.37 3i56 n LEU 3 Ca 0.04 -0.71 0.02 0.00 -0.03 0.00 0.00 56.01 55.33 3i56 n LEU 3 Cb 0.38 -0.15 0.34 0.00 -2.33 0.00 0.00 43.42 41.66 3i56 n LEU 3 CO 0.21 0.36 1.14 0.77 -1.33 0.00 0.00 177.39 178.53 3i56 h SER 4 N 1.80 0.60 -0.47 -1.43 4.64 -2.00 -2.05 113.55 114.65 3i56 h SER 4 Ca 0.00 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3i56 h SER 4 Cb 0.40 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3i56 h SER 4 CO 0.00 0.48 -0.01 0.00 -0.87 0.00 0.00 176.83 176.44 3i56 h ALA 5 N 1.62 0.63 -0.14 5.18 0.00 -2.01 -2.85 119.26 121.69 3i56 h ALA 5 Ca 0.18 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3i56 h ALA 5 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i56 h ALA 5 CO -0.03 0.43 -0.36 1.96 0.00 0.00 0.00 179.25 181.26 3i56 h GLN 6 N 0.68 0.28 -0.03 0.00 7.50 -1.78 -2.69 115.11 119.07 3i56 h GLN 6 Ca 0.13 -0.12 -0.03 0.00 0.50 0.00 0.00 58.65 59.13 3i56 h GLN 6 Cb 0.51 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 3i56 h GLN 6 CO 0.03 0.61 -0.12 0.87 -1.50 0.00 0.00 178.83 178.71 3i56 h LYS 7 N 0.24 0.04 -0.13 1.46 1.79 -1.15 0.37 116.57 119.19 3i56 h LYS 7 Ca 0.03 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 3i56 h LYS 7 Cb 0.75 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 3i56 h LYS 7 CO 0.06 0.16 -0.27 -0.09 -1.08 0.00 0.00 179.45 178.23 3i56 h ARG 8 N 0.04 0.42 -0.39 3.15 2.43 -1.37 -2.85 114.38 115.82 3i56 h ARG 8 Ca 0.01 -0.27 -0.12 0.00 -0.81 0.00 0.00 59.98 58.78 3i56 h ARG 8 Cb 0.23 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3i56 h ARG 8 CO 0.02 0.88 -0.24 -0.07 -1.51 0.00 0.00 179.97 179.04 3i56 h LEU 9 N 0.02 0.89 -1.06 3.80 3.38 -1.15 -2.91 115.31 118.28 3i56 h LEU 9 Ca 0.00 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.58 3i56 h LEU 9 Cb 0.87 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3i56 h LEU 9 CO 0.06 1.12 0.63 0.00 0.09 0.00 0.00 178.44 180.34 3i56 h ALA 10 N 0.79 1.37 0.00 1.53 0.00 -0.35 -1.27 119.26 121.34 3i56 h ALA 10 Ca 0.08 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3i56 h ALA 10 Cb 0.81 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3i56 h ALA 10 CO 0.07 0.53 -0.55 0.00 0.00 0.00 0.00 179.25 179.30 3i56 h ALA 11 N 1.44 1.02 0.19 0.00 0.00 -1.45 -1.11 119.26 119.34 3i56 h ALA 11 Ca 0.38 -0.50 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 3i56 h ALA 11 Cb 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3i56 h ALA 11 CO -0.12 0.68 -1.35 0.22 0.00 0.00 0.00 179.25 178.69 3i56 h ASP 12 N 0.00 0.70 0.01 0.00 -0.00 -1.18 -1.92 116.42 114.03 3i56 h ASP 12 Ca -0.01 -0.73 -0.16 0.00 -0.00 0.00 0.00 57.03 56.14 3i56 h ASP 12 Cb 1.01 -0.23 0.01 0.00 -0.00 0.00 0.00 39.33 40.13 3i56 h ASP 12 CO 0.07 1.56 -0.61 1.62 -0.00 0.00 0.00 179.24 181.88 3i56 h VAL 13 N 0.15 1.43 0.00 2.25 3.04 -1.20 -3.17 116.25 118.74 3i56 h VAL 13 Ca -0.20 -2.11 0.00 0.00 -1.01 0.00 0.00 66.70 63.38 3i56 h VAL 13 Cb 2.05 2.63 0.00 0.00 -2.01 0.00 0.00 31.29 33.96 3i56 h VAL 13 CO 0.24 0.61 0.00 0.18 -1.01 0.00 0.00 177.57 177.60 3i56 n LEU 14 N -4.21 0.28 -3.58 3.16 4.77 -0.43 -4.90 117.00 112.09 3i56 n LEU 14 Ca -0.11 0.56 -0.21 0.00 -0.03 0.00 0.00 56.01 56.22 3i56 n LEU 14 Cb 0.68 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3i56 n LEU 14 CO 0.47 -0.30 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.53 3i56 n ASP 15 N -1.80 -2.78 -4.16 -1.43 -0.08 -1.05 -5.02 116.55 100.23 3i56 n ASP 15 Ca 0.04 -0.80 -0.10 0.00 -1.51 0.00 0.00 54.79 52.41 3i56 n ASP 15 Cb 0.24 -4.31 -0.10 0.00 2.34 0.00 0.00 41.12 39.29 3i56 n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3i56 s VAL 16 N -3.55 0.19 0.49 5.18 1.01 -0.75 -5.05 120.40 117.92 3i56 s VAL 16 Ca 0.14 -1.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.00 3i56 s VAL 16 Cb -0.03 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.20 3i56 s VAL 16 CO 0.80 -0.46 1.04 -0.83 0.00 0.00 0.00 175.10 175.65 3i56 s GLY 17 N -3.07 2.50 0.57 4.51 0.00 -1.26 -4.49 107.32 106.07 3i56 s GLY 17 Ca 0.24 0.61 0.27 0.00 0.00 0.00 0.00 44.72 45.85 3i56 s GLY 17 CO 0.02 0.93 2.00 0.50 0.00 0.00 0.00 173.10 176.55 3i56 h LYS 18 N 1.48 0.00 -0.00 2.90 1.57 -1.90 -1.47 116.57 119.16 3i56 h LYS 18 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3i56 h LYS 18 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3i56 h LYS 18 CO 0.59 0.00 -0.04 0.09 -0.57 0.00 0.00 179.45 179.52 3i56 n ASN 19 N -4.00 0.25 -0.00 0.86 3.02 -1.26 -3.44 115.26 110.69 3i56 n ASN 19 Ca 0.07 -0.62 0.07 0.00 -0.03 0.00 0.00 54.58 54.07 3i56 n ASN 19 Cb 0.53 -0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.50 3i56 n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i56 n ARG 20 N -1.00 1.91 -2.49 3.52 1.74 -0.55 -4.96 116.66 114.82 3i56 n ARG 20 Ca 0.17 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 3i56 n ARG 20 Cb 0.22 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3i56 n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i56 s VAL 21 N -2.49 4.25 -0.10 1.55 -7.23 -1.22 -0.21 120.40 114.95 3i56 s VAL 21 Ca 0.03 1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 61.79 3i56 s VAL 21 Cb 0.10 -4.03 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 3i56 s VAL 21 CO 0.59 0.09 -0.04 0.86 -0.31 0.00 0.00 175.10 176.29 3i56 s TRP 22 N 1.39 3.03 -0.05 2.82 -0.00 0.17 -4.94 118.94 121.36 3i56 s TRP 22 Ca 0.57 -0.05 0.05 0.00 -0.00 0.00 0.00 56.10 56.67 3i56 s TRP 22 Cb -0.26 -1.82 -0.02 0.00 -0.00 0.00 0.00 33.47 31.36 3i56 s TRP 22 CO 0.27 0.24 -0.21 -0.06 -0.00 0.00 0.00 176.95 177.18 3i56 s PHE 23 N -0.40 2.51 -0.12 5.86 0.40 -1.26 -1.48 117.98 123.49 3i56 s PHE 23 Ca 0.07 -0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 55.65 3i56 s PHE 23 Cb -0.12 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 3i56 s PHE 23 CO 0.02 -0.03 1.46 1.21 0.70 0.00 0.00 175.22 178.58 3i56 s ASN 24 N -0.45 6.79 0.00 1.36 3.84 -0.75 -4.91 114.94 120.82 3i56 s ASN 24 Ca 0.05 1.94 0.06 0.00 0.21 0.00 0.00 52.86 55.12 3i56 s ASN 24 Cb -0.12 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.31 3i56 s ASN 24 CO 0.01 -0.86 1.19 -2.65 -2.79 0.00 0.00 177.10 172.01 3i56 n PRO 25 N 6.90 0.00 -0.01 0.43 -0.02 -1.26 -1.68 135.00 139.36 3i56 n PRO 25 Ca 0.16 0.39 0.07 0.00 -2.02 0.00 0.00 63.50 62.10 3i56 n PRO 25 Cb 0.44 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 3i56 n PRO 25 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i56 n GLU 26 N -1.50 0.65 -0.85 -0.52 1.02 -1.26 -4.44 120.64 113.75 3i56 n GLU 26 Ca 0.01 -0.08 -0.05 0.00 -0.02 0.00 0.00 57.16 57.02 3i56 n GLU 26 Cb 0.07 -1.59 0.23 0.00 -0.02 0.00 0.00 31.44 30.13 3i56 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i56 n ARG 27 N -2.46 2.55 -0.28 3.49 1.74 -0.68 -4.72 116.66 116.29 3i56 n ARG 27 Ca -0.09 -3.06 0.05 0.00 -0.77 0.00 0.00 57.85 53.98 3i56 n ARG 27 Cb 0.69 -1.97 0.27 0.00 -1.02 0.00 0.00 32.46 30.43 3i56 n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3i56 h GLN 28 N 1.53 0.93 -0.20 5.56 4.20 -1.76 -1.83 115.11 123.55 3i56 h GLN 28 Ca 0.25 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 3i56 h GLN 28 Cb 1.96 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 3i56 h GLN 28 CO 0.55 0.61 -0.29 0.78 -0.67 0.00 0.00 178.83 179.81 3i56 h GLY 29 N 0.96 0.41 2.00 3.46 0.00 -1.93 0.00 103.07 107.98 3i56 h GLY 29 Ca 0.38 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 3i56 h GLY 29 CO -0.15 0.32 -0.67 -0.55 0.00 0.00 0.00 176.54 175.49 3i56 h ASP 30 N 0.34 0.00 1.41 0.19 3.32 -1.72 -2.85 116.42 117.10 3i56 h ASP 30 Ca 0.05 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3i56 h ASP 30 Cb 0.69 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3i56 h ASP 30 CO 0.05 0.67 -0.61 0.40 -1.72 0.00 0.00 179.24 178.03 3i56 h ILE 31 N 0.00 0.60 -0.10 0.35 2.04 -1.05 -3.21 117.51 116.14 3i56 h ILE 31 Ca -0.01 -1.89 -0.15 0.00 1.00 0.00 0.00 64.86 63.81 3i56 h ILE 31 Cb 1.33 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 3i56 h ILE 31 CO 0.09 0.34 -0.58 0.00 0.00 0.00 0.00 178.15 178.00 3i56 h ALA 32 N 1.60 0.83 -0.00 1.87 0.00 -0.84 -2.73 119.26 119.99 3i56 h ALA 32 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i56 h ALA 32 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i56 h ALA 32 CO 0.05 0.71 -0.02 -0.25 0.00 0.00 0.00 179.25 179.73 3i56 n ASP 33 N -3.90 0.03 -4.58 0.00 8.00 -1.09 -4.71 116.55 110.30 3i56 n ASP 33 Ca -0.02 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 3i56 n ASP 33 Cb 0.60 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 3i56 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i56 s ALA 34 N -2.91 2.84 -0.22 2.24 0.00 -1.03 -4.85 121.76 117.83 3i56 s ALA 34 Ca 0.17 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.26 3i56 s ALA 34 Cb 0.19 -4.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.13 3i56 s ALA 34 CO 0.52 -2.90 -0.35 -0.89 0.00 0.00 0.00 175.76 172.15 3i56 n ILE 35 N 6.82 1.51 -2.09 0.00 2.08 -1.26 -4.87 119.36 121.55 3i56 n ILE 35 Ca 0.12 -0.06 -0.28 0.00 0.56 0.00 0.00 62.75 63.09 3i56 n ILE 35 Cb 0.49 -2.17 0.07 0.00 -0.75 0.00 0.00 39.64 37.28 3i56 n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3i56 s THR 36 N -2.74 2.60 0.32 1.39 -4.23 -1.26 -4.98 115.64 106.74 3i56 s THR 36 Ca -0.33 -0.02 0.15 0.00 -1.18 0.00 0.00 61.69 60.31 3i56 s THR 36 Cb 0.08 -3.15 0.10 0.00 1.34 0.00 0.00 72.50 70.87 3i56 s THR 36 CO 0.45 -0.18 1.79 0.03 -0.54 0.00 0.00 174.62 176.18 3i56 h ARG 37 N -0.68 0.00 -0.24 3.99 3.08 -1.99 -2.46 114.38 116.07 3i56 h ARG 37 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.48 3i56 h ARG 37 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3i56 h ARG 37 CO 0.63 0.39 -0.36 1.49 -1.07 0.00 0.00 179.97 181.04 3i56 h GLU 38 N 0.00 0.54 -0.51 0.04 4.57 -1.99 -1.65 114.58 115.57 3i56 h GLU 38 Ca -0.00 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.87 3i56 h GLU 38 Cb 0.75 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 3i56 h GLU 38 CO 0.05 0.82 0.11 -0.44 -1.18 0.00 0.00 179.01 178.38 3i56 h ASP 39 N 0.45 0.73 -0.12 1.04 3.32 -1.83 -1.89 116.42 118.13 3i56 h ASP 39 Ca 0.05 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3i56 h ASP 39 Cb 0.84 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 3i56 h ASP 39 CO 0.07 0.73 -0.19 0.58 -1.72 0.00 0.00 179.24 178.71 3i56 h VAL 40 N 0.75 1.38 -0.59 -1.35 2.07 -1.26 -2.87 116.25 114.38 3i56 h VAL 40 Ca 0.17 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.29 3i56 h VAL 40 Cb 0.30 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3i56 h VAL 40 CO 0.00 0.42 0.39 0.03 0.02 0.00 0.00 177.57 178.43 3i56 h ARG 41 N -0.09 0.60 -0.47 1.57 3.08 -1.00 -0.21 114.38 117.86 3i56 h ARG 41 Ca 0.01 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 3i56 h ARG 41 Cb 0.76 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3i56 h ARG 41 CO 0.04 0.40 -0.23 1.49 -1.07 0.00 0.00 179.97 180.60 3i56 h GLU 42 N 0.62 0.98 0.00 0.04 4.81 -1.34 -1.62 114.58 118.07 3i56 h GLU 42 Ca 0.25 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3i56 h GLU 42 Cb 0.20 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3i56 h GLU 42 CO -0.07 1.10 0.00 -0.07 -0.73 0.00 0.00 179.01 179.23 3i56 h LEU 43 N 0.84 0.00 0.12 1.64 3.38 -0.94 -1.11 115.31 119.24 3i56 h LEU 43 Ca 0.11 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 3i56 h LEU 43 Cb 0.81 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.58 3i56 h LEU 43 CO 0.07 0.00 -0.94 0.58 0.09 0.00 0.00 178.44 178.24 3i56 h VAL 44 N 0.00 1.42 0.00 1.22 2.07 -0.71 0.06 116.25 120.31 3i56 h VAL 44 Ca 0.00 -2.45 -0.06 0.00 0.82 0.00 0.00 66.70 65.01 3i56 h VAL 44 Cb 0.69 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 3i56 h VAL 44 CO 0.00 0.71 -0.27 0.44 0.02 0.00 0.00 177.57 178.47 3i56 h ASP 45 N -0.13 0.00 0.97 0.57 3.32 -0.98 -0.94 116.42 119.23 3i56 h ASP 45 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3i56 h ASP 45 Cb 1.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.25 3i56 h ASP 45 CO 0.18 0.27 -0.22 -0.62 -1.72 0.00 0.00 179.24 177.12 3i56 n GLU 46 N -3.77 0.11 -0.86 3.56 1.02 -0.45 -4.94 120.64 115.31 3i56 n GLU 46 Ca -0.01 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3i56 n GLU 46 Cb 0.37 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3i56 n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i56 n GLY 47 N 1.43 0.67 0.22 0.62 0.00 -0.36 -4.93 105.19 102.84 3i56 n GLY 47 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3i56 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 h ALA 48 N 0.00 0.67 -3.25 4.61 0.00 -1.24 -3.41 119.26 116.64 3i56 h ALA 48 Ca 0.00 -0.50 -0.64 0.00 0.00 0.00 0.00 54.91 53.77 3i56 h ALA 48 Cb 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 17.49 3i56 h ALA 48 CO 0.00 0.68 -0.65 0.42 0.00 0.00 0.00 179.25 179.70 3i56 s ILE 49 N -4.06 4.02 0.05 0.00 1.01 -0.77 -1.82 121.20 119.63 3i56 s ILE 49 Ca -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 3i56 s ILE 49 Cb 0.11 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3i56 s ILE 49 CO 0.85 0.47 0.01 -1.10 0.00 0.00 0.00 174.94 175.17 3i56 s GLN 50 N 0.53 0.60 -0.17 2.79 -0.21 -0.55 -4.41 119.66 118.24 3i56 s GLN 50 Ca -0.02 -1.08 -0.04 0.00 0.02 0.00 0.00 55.36 54.24 3i56 s GLN 50 Cb -0.14 0.22 -0.02 0.00 1.00 0.00 0.00 33.01 34.06 3i56 s GLN 50 CO 0.02 -0.12 -0.04 0.00 -2.12 0.00 0.00 175.29 173.03 3i56 s ALA 51 N -3.53 2.95 0.62 6.09 0.00 -1.26 0.46 121.76 127.09 3i56 s ALA 51 Ca 0.03 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 3i56 s ALA 51 Cb 0.05 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 3i56 s ALA 51 CO -0.09 0.06 1.09 0.21 0.00 0.00 0.00 175.76 177.03 3i56 s LYS 52 N 0.63 3.06 0.11 0.00 2.47 0.71 -4.96 119.74 121.76 3i56 s LYS 52 Ca -0.02 1.33 -0.30 0.00 -1.56 0.00 0.00 55.97 55.41 3i56 s LYS 52 Cb -0.14 -1.99 -0.06 0.00 -1.46 0.00 0.00 37.83 34.18 3i56 s LYS 52 CO 0.02 -1.04 0.95 -0.51 0.16 0.00 0.00 175.35 174.94 3i56 s ASP 53 N -2.61 7.49 0.21 1.43 1.01 -1.26 -4.96 116.67 117.98 3i56 s ASP 53 Ca 0.66 1.79 -0.27 0.00 0.71 0.00 0.00 52.55 55.44 3i56 s ASP 53 Cb -0.19 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.07 3i56 s ASP 53 CO 0.39 -0.06 0.84 -1.59 0.21 0.00 0.00 175.17 174.96 3i56 s LYS 54 N -0.03 4.64 0.56 8.23 -2.85 -1.26 -5.07 119.74 123.96 3i56 s LYS 54 Ca 0.46 1.26 -0.02 0.00 -1.00 0.00 0.00 55.97 56.68 3i56 s LYS 54 Cb -0.23 -3.20 0.02 0.00 -2.06 0.00 0.00 37.83 32.36 3i56 s LYS 54 CO 0.30 0.52 0.81 -1.59 0.10 0.00 0.00 175.35 175.48 3i56 s LYS 55 N -1.30 2.69 -0.03 1.78 -2.85 -1.26 -5.11 119.74 113.66 3i56 s LYS 55 Ca 0.39 -0.48 -0.05 0.00 -1.00 0.00 0.00 55.97 54.83 3i56 s LYS 55 Cb -0.23 -2.42 0.01 0.00 -2.06 0.00 0.00 37.83 33.13 3i56 s LYS 55 CO 0.28 -0.68 0.13 0.20 0.10 0.00 0.00 175.35 175.38 3i56 s GLY 56 N -4.36 -0.05 0.31 0.59 0.00 -1.26 -5.14 107.32 97.41 3i56 s GLY 56 Ca 0.55 0.21 -0.29 0.00 0.00 0.00 0.00 44.72 45.19 3i56 s GLY 56 CO 0.40 0.13 1.30 -1.31 0.00 0.00 0.00 173.10 173.63 3i56 s ASN 57 N -0.37 6.82 -0.30 1.64 -0.87 -1.26 -4.95 114.94 115.65 3i56 s ASN 57 Ca -0.04 2.62 -0.29 0.00 -1.57 0.00 0.00 52.86 53.58 3i56 s ASN 57 Cb -0.03 -2.64 -0.01 0.00 -0.02 0.00 0.00 41.25 38.55 3i56 s ASN 57 CO 0.00 -0.51 1.44 -0.44 -2.57 0.00 0.00 177.10 175.02 3i56 s SER 58 N -0.37 6.48 0.00 -1.22 0.01 -1.26 -4.90 113.70 112.44 3i56 s SER 58 Ca 0.50 1.26 0.13 0.00 1.31 0.00 0.00 55.95 59.15 3i56 s SER 58 Cb -0.39 -2.54 0.56 0.00 0.21 0.00 0.00 66.02 63.86 3i56 s SER 58 CO 0.50 -1.23 1.40 0.54 0.41 0.00 0.00 173.24 174.85 3i56 n ARG 59 N 7.62 1.44 -0.22 12.44 1.74 -1.26 -4.27 116.66 134.15 3i56 n ARG 59 Ca 0.17 -0.68 -0.08 0.00 -0.77 0.00 0.00 57.85 56.49 3i56 n ARG 59 Cb 0.46 -1.26 0.03 0.00 -1.02 0.00 0.00 32.46 30.68 3i56 n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3i56 h GLY 60 N 5.36 1.01 2.00 -0.13 0.00 -1.99 -0.48 103.07 108.84 3i56 h GLY 60 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3i56 h GLY 60 CO 0.00 0.55 -0.24 3.21 0.00 0.00 0.00 176.54 180.06 3i56 h ARG 61 N 0.87 0.00 0.18 4.80 3.08 -2.01 -2.59 114.38 118.70 3i56 h ARG 61 Ca 0.20 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.95 3i56 h ARG 61 Cb 0.26 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.34 3i56 h ARG 61 CO -0.01 0.24 -1.34 0.00 -1.07 0.00 0.00 179.97 177.79 3i56 h ALA 62 N 1.76 -0.01 -0.19 0.04 0.00 -1.71 -3.22 119.26 115.92 3i56 h ALA 62 Ca -0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 3i56 h ALA 62 Cb 0.71 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i56 h ALA 62 CO 0.03 0.84 -0.31 0.00 0.00 0.00 0.00 179.25 179.81 3i56 h ARG 63 N 0.12 0.38 -0.50 0.00 3.08 -0.82 -0.24 114.38 116.40 3i56 h ARG 63 Ca -0.19 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.61 3i56 h ARG 63 Cb 2.04 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 32.06 3i56 h ARG 63 CO 0.24 0.66 -0.05 0.93 -1.07 0.00 0.00 179.97 180.67 3i56 h GLU 64 N 0.34 0.92 -0.25 0.04 5.08 -1.57 -2.06 114.58 117.07 3i56 h GLU 64 Ca 0.04 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 3i56 h GLU 64 Cb 0.71 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3i56 h GLU 64 CO 0.05 0.97 -0.43 -0.09 -1.00 0.00 0.00 179.01 178.51 3i56 h ARG 65 N 0.77 0.63 -0.19 2.33 2.43 -1.51 -2.87 114.38 115.98 3i56 h ARG 65 Ca 0.14 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 58.88 3i56 h ARG 65 Cb 0.59 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3i56 h ARG 65 CO 0.04 0.94 -0.29 1.96 -1.51 0.00 0.00 179.97 181.11 3i56 h GLN 66 N 0.51 0.37 -0.46 0.20 4.20 -0.89 -1.44 115.11 117.60 3i56 h GLN 66 Ca 0.04 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 3i56 h GLN 66 Cb 0.96 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 3i56 h GLN 66 CO 0.09 0.63 -0.05 0.87 -0.67 0.00 0.00 178.83 179.69 3i56 h LYS 67 N 0.32 0.85 -0.40 1.46 1.57 -1.18 -1.73 116.57 117.47 3i56 h LYS 67 Ca 0.05 -0.30 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 3i56 h LYS 67 Cb 0.68 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3i56 h LYS 67 CO 0.05 0.92 -0.33 0.87 -0.57 0.00 0.00 179.45 180.39 3i56 h LYS 68 N 0.69 0.93 0.00 3.15 1.79 -1.31 -2.73 116.57 119.09 3i56 h LYS 68 Ca 0.12 -0.46 -0.06 0.00 -2.18 0.00 0.00 60.65 58.07 3i56 h LYS 68 Cb 0.57 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3i56 h LYS 68 CO 0.03 1.12 -0.28 0.00 -1.08 0.00 0.00 179.45 179.25 3i56 h ARG 69 N 0.75 0.00 0.00 3.15 3.08 -1.21 0.36 114.38 120.51 3i56 h ARG 69 Ca 0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.96 3i56 h ARG 69 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3i56 h ARG 69 CO 0.09 0.28 -0.75 0.00 -1.07 0.00 0.00 179.97 178.51 3i56 h ALA 70 N 1.72 0.56 -0.24 0.04 0.00 -1.24 -3.02 119.26 117.08 3i56 h ALA 70 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3i56 h ALA 70 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i56 h ALA 70 CO 0.04 0.94 0.00 0.98 0.00 0.00 0.00 179.25 181.21 3i56 n TYR 71 N -3.36 0.31 -0.52 0.00 9.36 -1.00 -4.92 117.16 117.03 3i56 n TYR 71 Ca 0.01 -0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.07 3i56 n TYR 71 Cb 0.81 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.52 3i56 n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3i56 n GLY 72 N 1.07 0.87 3.96 2.98 0.00 -1.03 -5.06 105.19 107.99 3i56 n GLY 72 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3i56 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i56 s HIS 73 N -3.10 2.93 -1.83 1.61 3.76 0.08 -4.45 115.29 114.29 3i56 s HIS 73 Ca 0.00 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 3i56 s HIS 73 Cb 0.00 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 30.96 3i56 s HIS 73 CO 0.00 -0.85 0.00 1.04 -0.85 0.00 0.00 174.74 174.08 3i56 n GLN 74 N -2.37 -1.62 -1.02 1.40 6.02 -1.26 -3.65 117.38 114.89 3i56 n GLN 74 Ca 0.07 1.03 0.03 0.00 -0.01 0.00 0.00 57.00 58.12 3i56 n GLN 74 Cb 0.59 -5.54 0.14 0.00 1.02 0.00 0.00 30.24 26.45 3i56 n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i56 n LYS 75 N -2.64 1.32 -1.49 -1.09 5.02 -1.26 -4.90 118.16 113.11 3i56 n LYS 75 Ca -0.21 -3.03 -0.30 0.00 -2.02 0.00 0.00 58.31 52.75 3i56 n LYS 75 Cb 0.65 -1.24 0.19 0.00 -0.02 0.00 0.00 35.03 34.61 3i56 n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3i56 s GLY 76 N -2.95 1.64 0.47 0.72 0.00 -1.26 -4.83 107.32 101.10 3i56 s GLY 76 Ca 0.38 -0.86 0.22 0.00 0.00 0.00 0.00 44.72 44.45 3i56 s GLY 76 CO -0.09 -0.13 1.89 0.00 0.00 0.00 0.00 173.10 174.77 3i56 h ALA 77 N -1.92 2.40 -0.27 3.20 0.00 -1.98 -0.60 119.26 120.09 3i56 h ALA 77 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i56 h ALA 77 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3i56 h ALA 77 CO 0.45 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 179.47 3i56 n GLY 78 N -1.59 0.30 0.00 0.00 0.00 -1.26 -3.54 105.19 99.11 3i56 n GLY 78 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i56 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i56 n SER 79 N 0.29 0.13 -4.77 1.61 7.64 -0.24 -5.01 113.62 113.27 3i56 n SER 79 Ca 0.09 -0.57 -0.39 0.00 1.01 0.00 0.00 58.87 59.01 3i56 n SER 79 Cb 0.24 0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 64.26 3i56 n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3i56 s ARG 80 N -0.92 4.38 -0.05 1.43 0.52 -1.18 -4.95 118.95 118.19 3i56 s ARG 80 Ca 0.00 0.90 -0.00 0.00 -0.52 0.00 0.00 55.73 56.11 3i56 s ARG 80 Cb 0.00 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 3i56 s ARG 80 CO 0.01 0.47 -0.04 1.17 0.02 0.00 0.00 175.30 176.93 3i56 n LYS 81 N 2.22 0.11 -2.26 3.54 3.00 -1.26 -5.04 118.16 118.47 3i56 n LYS 81 Ca -0.07 0.03 -0.26 0.00 -0.00 0.00 0.00 58.31 58.01 3i56 n LYS 81 Cb 0.50 -0.99 0.06 0.00 0.00 0.00 0.00 35.03 34.60 3i56 n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3i56 s GLY 82 N -4.59 1.67 1.18 3.14 0.00 -1.26 -5.08 107.32 102.37 3i56 s GLY 82 Ca -0.06 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 3i56 s GLY 82 CO 0.10 -0.49 1.06 1.25 0.00 0.00 0.00 173.10 175.02 3i56 s LYS 83 N -5.17 -1.01 0.07 2.90 2.47 -1.26 -4.79 119.74 112.95 3i56 s LYS 83 Ca 0.58 0.30 -0.28 0.00 -1.56 0.00 0.00 55.97 55.01 3i56 s LYS 83 Cb -0.11 -1.59 -0.17 0.00 -1.46 0.00 0.00 37.83 34.50 3i56 s LYS 83 CO 0.45 -3.65 1.63 0.00 0.16 0.00 0.00 175.35 173.94 3i56 h ALA 84 N -2.54 -0.52 0.00 3.13 0.00 -1.98 -2.55 119.26 114.80 3i56 h ALA 84 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3i56 h ALA 84 Cb 1.32 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3i56 h ALA 84 CO 0.44 -0.77 0.00 0.41 0.00 0.00 0.00 179.25 179.33 3i56 n GLY 85 N -1.21 -0.92 0.12 0.00 0.00 -1.26 -2.19 105.19 99.73 3i56 n GLY 85 Ca -0.11 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 3i56 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 h ALA 86 N 2.56 0.03 -0.13 4.61 0.00 -1.84 -3.29 119.26 121.21 3i56 h ALA 86 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 53.94 3i56 h ALA 86 Cb 0.21 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3i56 h ALA 86 CO 0.00 0.58 -0.32 0.00 0.00 0.00 0.00 179.25 179.51 3i56 h ARG 87 N -0.35 0.25 -2.93 0.00 3.08 -1.04 -3.42 114.38 109.98 3i56 h ARG 87 Ca -0.22 -0.10 -0.25 0.00 0.07 0.00 0.00 59.98 59.48 3i56 h ARG 87 Cb 1.70 -0.01 -0.34 0.00 0.08 0.00 0.00 29.97 31.40 3i56 h ARG 87 CO 0.11 0.55 -0.58 -1.14 -1.07 0.00 0.00 179.97 177.84 3i56 s GLN 88 N -4.32 0.11 -0.23 0.04 0.74 -1.04 -5.13 119.66 109.82 3i56 s GLN 88 Ca -0.05 0.65 -0.29 0.00 0.05 0.00 0.00 55.36 55.72 3i56 s GLN 88 Cb 0.14 -0.19 -0.01 0.00 1.10 0.00 0.00 33.01 34.05 3i56 s GLN 88 CO 0.76 -0.32 1.28 1.21 -0.55 0.00 0.00 175.29 177.67 3i56 s ASN 89 N 2.37 6.82 0.27 6.67 3.04 -1.24 -4.26 114.94 128.61 3i56 s ASN 89 Ca 0.02 1.45 -0.00 0.00 0.04 0.00 0.00 52.86 54.37 3i56 s ASN 89 Cb -0.12 -2.54 0.49 0.00 -1.54 0.00 0.00 41.25 37.54 3i56 s ASN 89 CO -0.08 -0.91 1.86 0.77 -3.04 0.00 0.00 177.10 175.70 3i56 h SER 90 N 8.71 0.98 -0.60 -4.21 4.64 -1.95 -0.95 113.55 120.16 3i56 h SER 90 Ca -0.26 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 3i56 h SER 90 Cb 1.10 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3i56 h SER 90 CO 1.00 0.57 0.02 0.50 -0.87 0.00 0.00 176.83 178.04 3i56 h LYS 91 N 1.08 1.05 -0.01 4.77 3.11 -1.98 -1.53 116.57 123.07 3i56 h LYS 91 Ca 0.47 -0.33 -0.10 0.00 -2.81 0.00 0.00 60.65 57.88 3i56 h LYS 91 Cb 0.35 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 3i56 h LYS 91 CO -0.22 1.02 -0.48 0.93 -2.81 0.00 0.00 179.45 177.89 3i56 h GLU 92 N 0.95 0.02 0.00 1.90 5.08 -1.79 -1.57 114.58 119.18 3i56 h GLU 92 Ca 0.17 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 3i56 h GLU 92 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3i56 h GLU 92 CO 0.03 0.50 -0.73 0.22 -1.00 0.00 0.00 179.01 178.04 3i56 h ASP 93 N 0.02 0.00 0.28 1.42 3.58 -0.87 -1.26 116.42 119.59 3i56 h ASP 93 Ca -0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.21 3i56 h ASP 93 Cb 0.86 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.92 3i56 h ASP 93 CO 0.06 0.73 -0.97 -0.25 -2.88 0.00 0.00 179.24 175.93 3i56 h TRP 94 N 0.00 0.69 -0.49 0.28 2.91 -1.01 -0.97 115.95 117.35 3i56 h TRP 94 Ca -0.01 -0.38 -0.09 0.00 1.13 0.00 0.00 58.89 59.55 3i56 h TRP 94 Cb 1.37 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.92 3i56 h TRP 94 CO 0.00 1.20 -0.06 0.93 -1.03 0.00 0.00 178.44 179.48 3i56 h GLU 95 N 0.26 0.87 0.04 2.65 5.08 -1.17 0.17 114.58 122.48 3i56 h GLU 95 Ca -0.09 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3i56 h GLU 95 Cb 1.61 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.78 3i56 h GLU 95 CO 0.17 0.90 -0.02 1.03 -1.00 0.00 0.00 179.01 180.09 3i56 h SER 96 N 0.79 -0.04 -0.05 1.42 0.87 -1.17 -2.68 113.55 112.68 3i56 h SER 96 Ca 0.14 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 3i56 h SER 96 Cb 0.56 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3i56 h SER 96 CO 0.03 0.28 0.01 0.03 -0.53 0.00 0.00 176.83 176.65 3i56 h ARG 97 N -0.37 0.08 0.00 2.24 3.08 -1.03 -2.81 114.38 115.57 3i56 h ARG 97 Ca -0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3i56 h ARG 97 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3i56 h ARG 97 CO 0.01 0.30 -0.43 0.97 -1.07 0.00 0.00 179.97 179.75 3i56 h ILE 98 N -0.15 1.29 -0.12 2.04 -0.00 -0.74 -1.96 117.51 117.86 3i56 h ILE 98 Ca 0.02 -1.50 -0.18 0.00 -0.00 0.00 0.00 64.86 63.20 3i56 h ILE 98 Cb 0.26 1.81 -0.00 0.00 -0.00 0.00 0.00 36.82 38.89 3i56 h ILE 98 CO 0.00 0.42 -0.67 0.03 -0.00 0.00 0.00 178.15 177.94 3i56 h ARG 99 N 0.00 0.50 -0.02 2.19 3.08 -1.50 -1.83 114.38 116.79 3i56 h ARG 99 Ca -0.00 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 59.58 3i56 h ARG 99 Cb 0.78 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3i56 h ARG 99 CO 0.06 0.99 -0.42 0.00 -1.07 0.00 0.00 179.97 179.54 3i56 h ALA 100 N 0.91 1.27 0.15 0.04 0.00 -1.21 -0.48 119.26 119.94 3i56 h ALA 100 Ca -0.02 -0.39 -0.29 0.00 0.00 0.00 0.00 54.91 54.22 3i56 h ALA 100 Cb 1.24 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3i56 h ALA 100 CO 0.12 0.54 -1.31 1.96 0.00 0.00 0.00 179.25 180.56 3i56 h GLN 101 N 0.04 0.32 0.00 0.00 4.20 -1.25 -2.86 115.11 115.55 3i56 h GLN 101 Ca 0.00 -0.54 -0.07 0.00 0.06 0.00 0.00 58.65 58.10 3i56 h GLN 101 Cb 0.76 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3i56 h GLN 101 CO 0.06 1.25 -0.32 0.00 -0.67 0.00 0.00 178.83 179.15 3i56 h ARG 102 N 0.09 0.00 0.10 1.46 3.08 -1.07 -2.59 114.38 115.45 3i56 h ARG 102 Ca -0.16 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.62 3i56 h ARG 102 Cb 2.01 0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.07 3i56 h ARG 102 CO 0.21 0.32 -1.18 1.15 -1.07 0.00 0.00 179.97 179.41 3i56 h THR 103 N 0.00 1.40 -0.52 2.04 2.02 -1.14 -2.70 112.91 114.02 3i56 h THR 103 Ca -0.00 -2.72 -0.08 0.00 0.77 0.00 0.00 66.41 64.38 3i56 h THR 103 Cb 1.01 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 70.14 3i56 h THR 103 CO 0.04 0.81 -0.00 0.50 0.37 0.00 0.00 175.52 177.23 3i56 h LYS 104 N 0.17 0.91 0.00 6.66 1.63 -1.42 -2.25 116.57 122.28 3i56 h LYS 104 Ca -0.14 -0.29 -0.07 0.00 -0.85 0.00 0.00 60.65 59.29 3i56 h LYS 104 Cb 1.86 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.40 3i56 h LYS 104 CO 0.21 0.94 -0.34 -0.07 -3.45 0.00 0.00 179.45 176.74 3i56 h LEU 105 N 0.78 0.00 -0.22 5.20 3.38 -1.52 -2.52 115.31 120.40 3i56 h LEU 105 Ca 0.15 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 3i56 h LEU 105 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3i56 h LEU 105 CO 0.03 0.34 -0.86 -0.09 0.09 0.00 0.00 178.44 177.94 3i56 h ARG 106 N 0.00 0.50 -0.28 1.13 2.43 -1.22 -2.81 114.38 114.12 3i56 h ARG 106 Ca -0.00 -0.47 -0.07 0.00 -0.81 0.00 0.00 59.98 58.63 3i56 h ARG 106 Cb 0.82 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3i56 h ARG 106 CO 0.04 1.11 -0.08 0.93 -1.51 0.00 0.00 179.97 180.46 3i56 h GLU 107 N 0.31 0.56 0.00 0.20 5.08 -1.21 -2.81 114.58 116.71 3i56 h GLU 107 Ca -0.07 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 3i56 h GLU 107 Cb 1.48 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 3i56 h GLU 107 CO 0.16 0.77 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.59 3i56 h LEU 108 N 0.32 0.00 -0.45 1.33 3.38 -1.49 -2.16 115.31 116.24 3i56 h LEU 108 Ca 0.07 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3i56 h LEU 108 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3i56 h LEU 108 CO 0.03 0.27 -0.78 -0.09 0.09 0.00 0.00 178.44 177.96 3i56 h ARG 109 N 0.00 0.04 0.01 1.13 2.43 -1.41 -1.67 114.38 114.91 3i56 h ARG 109 Ca -0.00 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.93 3i56 h ARG 109 Cb 0.55 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3i56 h ARG 109 CO 0.03 0.80 -0.90 -0.44 -1.51 0.00 0.00 179.97 177.95 3i56 h ASP 110 N 0.03 0.09 1.64 -3.80 5.19 -1.15 -3.12 116.42 115.30 3i56 h ASP 110 Ca -0.01 -0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 3i56 h ASP 110 Cb 1.37 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 3i56 h ASP 110 CO 0.10 0.94 -0.09 -0.33 -3.12 0.00 0.00 179.24 176.75 3i56 h GLU 111 N 0.03 0.00 0.00 3.56 5.08 -1.42 -3.47 114.58 118.36 3i56 h GLU 111 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i56 h GLU 111 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 3i56 h GLU 111 CO 0.12 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3i56 n GLY 112 N 0.82 0.70 0.22 -3.84 0.00 -1.07 -4.96 105.19 97.05 3i56 n GLY 112 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3i56 n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i56 h THR 113 N 0.00 1.16 -3.96 2.61 2.02 -1.58 -3.42 112.91 109.74 3i56 h THR 113 Ca 0.00 -0.77 -0.54 0.00 0.77 0.00 0.00 66.41 65.88 3i56 h THR 113 Cb 0.00 1.41 -0.31 0.00 -1.74 0.00 0.00 68.15 67.52 3i56 h THR 113 CO 0.00 0.22 -0.83 -0.76 0.37 0.00 0.00 175.52 174.52 3i56 s LEU 114 N -8.54 1.92 0.62 2.58 1.43 -1.10 -5.02 118.68 110.57 3i56 s LEU 114 Ca -0.04 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3i56 s LEU 114 Cb 0.15 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.50 3i56 s LEU 114 CO 0.70 0.15 0.95 -0.94 0.23 0.00 0.00 176.35 177.44 3i56 s SER 115 N -0.01 5.49 0.54 2.29 1.04 -1.26 -4.46 113.70 117.32 3i56 s SER 115 Ca -0.02 0.78 0.20 0.00 0.48 0.00 0.00 55.95 57.40 3i56 s SER 115 Cb -0.10 -1.70 1.39 0.00 0.10 0.00 0.00 66.02 65.71 3i56 s SER 115 CO 0.01 -1.17 2.14 0.77 0.98 0.00 0.00 173.24 175.97 3i56 h SER 116 N -0.32 0.00 0.51 7.02 4.64 -1.98 -0.00 113.55 123.42 3i56 h SER 116 Ca -0.45 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.69 3i56 h SER 116 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3i56 h SER 116 CO 0.61 0.00 -0.79 0.77 -0.87 0.00 0.00 176.83 176.56 3i56 h SER 117 N 0.00 0.26 0.21 4.97 4.64 -2.00 -2.35 113.55 119.28 3i56 h SER 117 Ca 0.05 -0.19 -0.28 0.00 -0.47 0.00 0.00 61.79 60.90 3i56 h SER 117 Cb 0.20 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3i56 h SER 117 CO -0.00 0.94 -1.24 1.56 -0.87 0.00 0.00 176.83 177.23 3i56 h GLN 118 N 0.13 0.44 -0.79 4.77 4.20 -1.70 -3.16 115.11 119.00 3i56 h GLN 118 Ca -0.03 -0.76 0.02 0.00 0.06 0.00 0.00 58.65 57.94 3i56 h GLN 118 Cb 1.38 0.28 -0.04 0.00 0.30 0.00 0.00 27.48 29.39 3i56 h GLN 118 CO 0.12 1.36 0.52 -0.92 -0.67 0.00 0.00 178.83 179.24 3i56 h TYR 119 N -0.06 0.97 -0.40 2.96 3.20 -1.07 -2.01 116.97 120.55 3i56 h TYR 119 Ca -0.22 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.58 3i56 h TYR 119 Cb 1.96 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.89 3i56 h TYR 119 CO 0.16 0.58 -0.13 -0.09 -1.64 0.00 0.00 178.16 177.04 3i56 h ARG 120 N 1.03 0.73 -0.37 1.82 9.65 -1.52 0.20 114.38 125.92 3i56 h ARG 120 Ca 0.31 -0.25 -0.11 0.00 -1.10 0.00 0.00 59.98 58.83 3i56 h ARG 120 Cb -0.05 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 3i56 h ARG 120 CO -0.09 0.83 -0.23 0.22 2.80 0.00 0.00 179.97 183.50 3i56 h ASP 121 N 0.66 0.73 0.39 -3.80 1.82 -1.41 -2.76 116.42 112.05 3i56 h ASP 121 Ca 0.11 -0.26 -0.32 0.00 -0.39 0.00 0.00 57.03 56.17 3i56 h ASP 121 Cb 0.60 -0.20 0.02 0.00 0.68 0.00 0.00 39.33 40.43 3i56 h ASP 121 CO 0.04 0.94 -1.44 -0.07 -1.61 0.00 0.00 179.24 177.11 3i56 h LEU 122 N 0.63 0.67 -0.46 2.28 3.38 -1.08 -3.09 115.31 117.64 3i56 h LEU 122 Ca 0.09 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 3i56 h LEU 122 Cb 0.73 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3i56 h LEU 122 CO 0.06 1.59 0.20 0.22 0.09 0.00 0.00 178.44 180.60 3i56 h TYR 123 N 0.12 0.68 0.00 1.13 3.20 -0.63 -0.50 116.97 120.97 3i56 h TYR 123 Ca -0.23 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.51 3i56 h TYR 123 Cb 2.10 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 40.14 3i56 h TYR 123 CO 0.10 0.57 -0.46 -0.44 -1.64 0.00 0.00 178.16 176.29 3i56 h ASP 124 N 0.60 0.00 0.89 -2.11 5.19 -1.62 -1.84 116.42 117.54 3i56 h ASP 124 Ca 0.16 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.38 3i56 h ASP 124 Cb 0.16 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 3i56 h ASP 124 CO -0.02 0.46 -0.89 0.11 -3.12 0.00 0.00 179.24 175.78 3i56 h LYS 125 N 0.00 0.00 -0.19 3.56 1.57 -1.39 -2.66 116.57 117.47 3i56 h LYS 125 Ca -0.00 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 3i56 h LYS 125 Cb 0.86 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.17 3i56 h LYS 125 CO 0.06 0.90 -0.69 0.00 -0.57 0.00 0.00 179.45 179.14 3i56 h ALA 126 N 1.10 0.40 0.00 3.86 0.00 -0.90 -1.69 119.26 122.03 3i56 h ALA 126 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3i56 h ALA 126 Cb 1.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3i56 h ALA 126 CO 0.12 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.47 3i56 n GLY 127 N 0.56 -1.16 0.78 0.00 0.00 -0.71 -1.68 105.19 102.98 3i56 n GLY 127 Ca -0.06 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3i56 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 128 N 0.40 0.61 2.07 -0.02 0.00 -1.01 -4.99 105.19 102.25 3i56 n GLY 128 Ca 0.04 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 3i56 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i56 n GLY 129 N 1.29 0.52 0.14 -0.02 0.00 -0.68 -4.98 105.19 101.46 3i56 n GLY 129 Ca 0.12 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.78 3i56 n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i56 h GLU 130 N -0.68 0.00 -5.04 1.61 4.39 -1.51 -3.44 114.58 109.90 3i56 h GLU 130 Ca -0.15 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.89 3i56 h GLU 130 Cb 1.10 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.47 3i56 h GLU 130 CO 0.15 0.12 -0.73 -0.06 -1.16 0.00 0.00 179.01 177.33 3i56 s PHE 131 N -3.20 2.94 0.02 4.33 0.40 -1.26 -5.03 117.98 116.18 3i56 s PHE 131 Ca 0.01 -0.92 -0.21 0.00 -0.60 0.00 0.00 56.93 55.21 3i56 s PHE 131 Cb 0.08 -2.06 -0.12 0.00 0.51 0.00 0.00 43.02 41.43 3i56 s PHE 131 CO 0.76 -0.51 1.09 -0.44 0.70 0.00 0.00 175.22 176.83 3i56 h ASP 132 N 7.91 -0.65 -3.61 1.36 3.32 -1.91 -3.48 116.42 119.36 3i56 h ASP 132 Ca -0.40 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.47 3i56 h ASP 132 Cb 1.17 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.85 3i56 h ASP 132 CO 0.60 -0.38 -0.15 -1.54 -1.72 0.00 0.00 179.24 176.05 3i56 n SER 133 N -4.53 2.37 0.08 6.45 3.41 -1.26 -4.99 113.62 115.14 3i56 n SER 133 Ca -0.10 -1.69 -0.09 0.00 -0.26 0.00 0.00 58.87 56.73 3i56 n SER 133 Cb 0.30 0.12 0.01 0.00 -0.26 0.00 0.00 64.21 64.38 3i56 n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3i56 h VAL 134 N 1.09 1.44 -0.10 -3.33 2.07 -1.91 -2.99 116.25 112.52 3i56 h VAL 134 Ca -0.13 -2.42 -0.06 0.00 0.82 0.00 0.00 66.70 64.91 3i56 h VAL 134 Cb 0.40 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3i56 h VAL 134 CO 0.22 0.71 -0.24 0.00 0.02 0.00 0.00 177.57 178.28 3i56 h ALA 135 N 0.95 1.42 0.00 1.67 0.00 -2.00 -1.98 119.26 119.33 3i56 h ALA 135 Ca -0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3i56 h ALA 135 Cb 1.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3i56 h ALA 135 CO 0.13 0.41 -0.50 0.22 0.00 0.00 0.00 179.25 179.51 3i56 h ASP 136 N 0.16 0.00 -0.11 0.00 3.58 -1.94 -2.19 116.42 115.91 3i56 h ASP 136 Ca 0.03 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 3i56 h ASP 136 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 3i56 h ASP 136 CO 0.04 0.50 -0.25 0.25 -2.88 0.00 0.00 179.24 176.90 3i56 h LEU 137 N 0.00 0.42 -0.83 2.28 5.85 -1.23 -2.97 115.31 118.83 3i56 h LEU 137 Ca -0.01 -0.57 -0.08 0.00 0.84 0.00 0.00 57.88 58.06 3i56 h LEU 137 Cb 1.20 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3i56 h LEU 137 CO 0.07 0.91 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.74 3i56 h GLU 138 N -0.06 0.86 0.00 1.25 5.08 -1.43 -1.98 114.58 118.31 3i56 h GLU 138 Ca 0.00 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3i56 h GLU 138 Cb 0.85 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3i56 h GLU 138 CO 0.06 0.87 -0.01 0.00 -1.00 0.00 0.00 179.01 178.93 3i56 h ARG 139 N 0.80 0.00 0.11 2.33 3.08 -1.37 -1.54 114.38 117.79 3i56 h ARG 139 Ca 0.15 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.84 3i56 h ARG 139 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3i56 h ARG 139 CO 0.02 0.01 -1.97 0.98 -1.07 0.00 0.00 179.97 177.94 3i56 n TYR 140 N -3.14 1.15 -0.22 3.04 9.36 -0.91 -4.26 117.16 122.18 3i56 n TYR 140 Ca -0.02 0.26 -0.04 0.00 3.32 0.00 0.00 57.90 61.43 3i56 n TYR 140 Cb 0.15 -1.15 0.07 0.00 -0.63 0.00 0.00 39.34 37.78 3i56 n TYR 140 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3i56 h ILE 141 N -0.03 1.05 -1.00 2.97 2.04 -0.68 -3.31 117.51 118.56 3i56 h ILE 141 Ca -0.43 -0.25 -0.63 0.00 1.00 0.00 0.00 64.86 64.55 3i56 h ILE 141 Cb 1.96 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 38.21 3i56 h ILE 141 CO 0.05 0.13 1.77 -1.81 0.00 0.00 0.00 178.15 178.29 3i56 s ASP 142 N -5.66 6.61 0.00 1.72 1.01 -0.64 -5.11 116.67 114.60 3i56 s ASP 142 Ca -0.13 -1.84 0.00 0.00 0.71 0.00 0.00 52.55 51.29 3i56 s ASP 142 Cb 0.15 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.50 3i56 s ASP 142 CO 0.76 -1.40 0.00 0.00 0.21 0.00 0.00 175.17 174.73