#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n59 s ILE 4 N 0.00 5.00 -0.14 1.47 1.01 -1.26 -1.43 121.20 125.85 3n59 s ILE 4 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 60.65 62.18 3n59 s ILE 4 Cb 0.00 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 3n59 s ILE 4 CO 0.00 0.19 -0.16 -0.69 0.00 0.00 0.00 174.94 174.28 3n59 s VAL 5 N 1.13 2.60 -0.27 2.92 1.01 0.12 -4.15 120.40 123.77 3n59 s VAL 5 Ca 0.38 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3n59 s VAL 5 Cb -0.18 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3n59 s VAL 5 CO 0.18 0.52 0.47 0.20 0.00 0.00 0.00 175.10 176.47 3n59 s ASN 6 N 0.69 6.37 -0.38 3.32 0.01 -0.21 -0.63 114.94 124.10 3n59 s ASN 6 Ca -0.08 0.42 -0.07 0.00 -0.71 0.00 0.00 52.86 52.42 3n59 s ASN 6 Cb -0.16 -2.26 0.07 0.00 0.41 0.00 0.00 41.25 39.31 3n59 s ASN 6 CO 0.02 -0.26 0.18 -0.69 -1.51 0.00 0.00 177.10 174.83 3n59 s VAL 7 N 2.24 3.87 -0.20 1.60 1.01 0.14 0.67 120.40 129.72 3n59 s VAL 7 Ca 0.19 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 3n59 s VAL 7 Cb -0.16 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3n59 s VAL 7 CO 0.10 -0.39 -0.05 -0.63 0.00 0.00 0.00 175.10 174.12 3n59 s ILE 8 N 1.37 3.45 -0.14 2.22 1.01 0.26 -1.02 121.20 128.34 3n59 s ILE 8 Ca 0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3n59 s ILE 8 Cb -0.22 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 3n59 s ILE 8 CO 0.01 0.44 -0.04 0.20 0.00 0.00 0.00 174.94 175.56 3n59 s ASN 9 N 1.17 4.80 0.24 3.58 0.01 0.05 -1.22 114.94 123.57 3n59 s ASN 9 Ca 0.02 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 3n59 s ASN 9 Cb -0.14 -1.70 0.00 0.00 0.41 0.00 0.00 41.25 39.81 3n59 s ASN 9 CO -0.01 0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 3n59 n GLY 10 N 3.32 0.01 3.62 0.66 0.00 0.22 -1.63 105.19 111.38 3n59 n GLY 10 Ca -0.17 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3n59 n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n59 n PRO 11 N -0.35 1.49 -0.86 1.61 -0.02 -1.07 -2.91 135.00 132.90 3n59 n PRO 11 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3n59 n PRO 11 Cb 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3n59 n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n59 n ASN 12 N 0.72 -1.16 0.08 2.55 3.02 -1.26 -4.51 115.26 114.69 3n59 n ASN 12 Ca 0.09 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.75 3n59 n ASN 12 Cb 0.37 -1.14 0.09 0.00 -0.61 0.00 0.00 39.78 38.49 3n59 n ASN 12 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n59 h LEU 13 N 0.00 0.00 0.00 3.41 3.38 -1.89 -3.05 115.31 117.16 3n59 h LEU 13 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3n59 h LEU 13 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3n59 h LEU 13 CO 0.00 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.21 3n59 n GLY 14 N 1.28 -0.82 1.21 0.83 0.00 -1.26 -3.18 105.19 103.25 3n59 n GLY 14 Ca 0.02 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3n59 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n59 n ARG 15 N -1.13 3.11 -1.74 1.61 5.12 -1.15 -4.75 116.66 117.72 3n59 n ARG 15 Ca 0.14 -2.59 -0.42 0.00 -1.93 0.00 0.00 57.85 53.04 3n59 n ARG 15 Cb 0.12 -1.62 -0.01 0.00 -1.16 0.00 0.00 32.46 29.79 3n59 n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3n59 n LEU 16 N 1.04 4.31 0.00 0.55 4.77 -1.19 -3.50 117.00 122.98 3n59 n LEU 16 Ca 0.21 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.37 3n59 n LEU 16 Cb 0.68 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 3n59 n LEU 16 CO 0.17 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3n59 n GLY 17 N 1.45 2.50 2.45 -0.72 0.00 -1.01 -4.03 105.19 105.82 3n59 n GLY 17 Ca 0.06 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 3n59 n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n59 n ARG 18 N 0.00 2.49 0.00 1.61 1.85 -1.23 -4.70 116.66 116.68 3n59 n ARG 18 Ca 0.00 -2.29 0.00 0.00 -1.00 0.00 0.00 57.85 54.56 3n59 n ARG 18 Cb 0.00 -2.16 0.00 0.00 -1.05 0.00 0.00 32.46 29.25 3n59 n ARG 18 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3n59 n GLY 25 N 1.07 0.00 1.56 2.89 0.00 -1.26 -5.01 105.19 104.44 3n59 n GLY 25 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 3n59 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n59 n GLY 26 N -0.34 4.62 3.71 -0.02 0.00 -1.26 -5.00 105.19 106.89 3n59 n GLY 26 Ca 0.00 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 3n59 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n59 s THR 27 N -3.22 3.52 0.55 2.61 2.01 -1.26 -4.61 115.64 115.24 3n59 s THR 27 Ca 0.49 1.06 -0.05 0.00 0.31 0.00 0.00 61.69 63.51 3n59 s THR 27 Cb 0.43 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 69.26 3n59 s THR 27 CO 0.05 0.07 0.84 0.42 -0.69 0.00 0.00 174.62 175.31 3n59 s THR 28 N 1.36 3.87 0.25 -0.82 -4.23 -1.26 -2.40 115.64 112.41 3n59 s THR 28 Ca 0.63 -0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 3n59 s THR 28 Cb -0.34 -3.51 0.20 0.00 1.34 0.00 0.00 72.50 70.19 3n59 s THR 28 CO 0.29 -0.48 1.85 -0.74 -0.54 0.00 0.00 174.62 175.00 3n59 h HIS 29 N -0.01 1.14 -0.94 3.99 6.17 -1.82 0.47 115.15 124.16 3n59 h HIS 29 Ca -0.46 -0.04 0.03 0.00 0.71 0.00 0.00 60.37 60.61 3n59 h HIS 29 Cb 1.25 -0.36 -0.05 0.00 2.52 0.00 0.00 27.41 30.77 3n59 h HIS 29 CO 0.48 0.81 0.61 -0.44 0.71 0.00 0.00 177.93 180.11 3n59 h ASP 30 N 1.14 1.03 -0.16 3.26 3.32 -1.94 0.31 116.42 123.39 3n59 h ASP 30 Ca 0.28 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 3n59 h ASP 30 Cb 0.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3n59 h ASP 30 CO -0.04 0.72 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.52 3n59 h GLU 31 N 1.21 0.67 -0.24 3.56 5.08 -1.82 -2.76 114.58 120.29 3n59 h GLU 31 Ca 0.37 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3n59 h GLU 31 Cb -0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3n59 h GLU 31 CO -0.11 0.92 0.05 1.25 -1.00 0.00 0.00 179.01 180.12 3n59 h LEU 32 N 0.56 0.37 -0.25 1.33 5.85 -0.11 -0.77 115.31 122.29 3n59 h LEU 32 Ca 0.06 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.59 3n59 h LEU 32 Cb 0.87 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3n59 h LEU 32 CO 0.08 0.52 -0.11 0.58 -0.34 0.00 0.00 178.44 179.16 3n59 h VAL 33 N 0.20 0.63 -0.74 1.05 2.07 -0.41 -0.36 116.25 118.69 3n59 h VAL 33 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3n59 h VAL 33 Cb 0.30 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3n59 h VAL 33 CO 0.00 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.88 3n59 h ALA 34 N 1.14 0.97 -0.63 1.67 0.00 -1.42 -1.16 119.26 119.83 3n59 h ALA 34 Ca 0.13 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3n59 h ALA 34 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3n59 h ALA 34 CO -0.30 0.60 0.02 1.25 0.00 0.00 0.00 179.25 180.82 3n59 h LEU 35 N 1.08 1.06 -0.19 0.00 5.85 -0.74 -1.72 115.31 120.64 3n59 h LEU 35 Ca 0.25 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3n59 h LEU 35 Cb 0.22 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3n59 h LEU 35 CO -0.02 1.09 -0.06 0.40 -0.34 0.00 0.00 178.44 179.51 3n59 h ILE 36 N 1.00 1.29 -0.54 4.05 2.04 -0.93 -2.31 117.51 122.11 3n59 h ILE 36 Ca 0.18 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 65.04 3n59 h ILE 36 Cb 0.54 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 3n59 h ILE 36 CO 0.03 0.32 0.22 -0.33 0.00 0.00 0.00 178.15 178.39 3n59 h GLU 37 N 0.09 0.41 -0.45 2.37 5.08 -1.11 -0.90 114.58 120.08 3n59 h GLU 37 Ca 0.05 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3n59 h GLU 37 Cb 0.52 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3n59 h GLU 37 CO 0.02 0.27 -0.09 0.00 -1.00 0.00 0.00 179.01 178.22 3n59 h ARG 38 N 0.42 0.85 -0.63 2.33 3.08 -1.33 -2.38 114.38 116.72 3n59 h ARG 38 Ca 0.26 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3n59 h ARG 38 Cb 0.25 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3n59 h ARG 38 CO -0.24 0.95 0.07 1.49 -1.07 0.00 0.00 179.97 181.17 3n59 h GLU 39 N 0.68 1.06 -0.46 0.04 4.57 -1.16 -2.80 114.58 116.51 3n59 h GLU 39 Ca 0.12 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 57.88 3n59 h GLU 39 Cb 0.62 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3n59 h GLU 39 CO 0.04 1.00 -0.16 0.00 -1.18 0.00 0.00 179.01 178.72 3n59 h ALA 40 N 1.02 0.86 -0.87 2.92 0.00 -1.16 -2.99 119.26 119.04 3n59 h ALA 40 Ca 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3n59 h ALA 40 Cb 0.48 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3n59 h ALA 40 CO 0.02 0.64 0.57 0.00 0.00 0.00 0.00 179.25 180.48 3n59 h ALA 41 N 1.04 1.10 0.00 0.00 0.00 -1.29 0.16 119.26 120.27 3n59 h ALA 41 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3n59 h ALA 41 Cb 0.68 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3n59 h ALA 41 CO 0.05 0.50 -0.13 1.49 0.00 0.00 0.00 179.25 181.15 3n59 h GLU 42 N 1.17 0.00 -0.26 0.00 4.81 -1.38 -2.18 114.58 116.74 3n59 h GLU 42 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3n59 h GLU 42 Cb -0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3n59 h GLU 42 CO -0.07 0.13 0.00 1.28 -0.73 0.00 0.00 179.01 179.62 3n59 n LEU 43 N -3.44 2.44 -0.27 1.64 4.77 -0.80 -4.93 117.00 116.41 3n59 n LEU 43 Ca -0.01 -1.04 -0.03 0.00 -0.03 0.00 0.00 56.01 54.91 3n59 n LEU 43 Cb 0.30 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3n59 n LEU 43 CO 0.30 0.52 -0.03 0.61 -1.33 0.00 0.00 177.39 177.46 3n59 n GLY 44 N 1.29 0.36 3.45 -0.72 0.00 -0.82 -4.95 105.19 103.80 3n59 n GLY 44 Ca 0.17 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 3n59 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n59 s LEU 45 N -0.70 2.54 -0.21 0.99 1.43 0.50 -3.90 118.68 119.34 3n59 s LEU 45 Ca 0.00 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 52.06 3n59 s LEU 45 Cb 0.00 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 3n59 s LEU 45 CO 0.00 0.04 0.01 -0.75 0.23 0.00 0.00 176.35 175.89 3n59 s LYS 46 N -3.29 3.63 -0.27 1.70 2.20 -0.51 -2.90 119.74 120.30 3n59 s LYS 46 Ca 0.27 -0.51 -0.10 0.00 -0.36 0.00 0.00 55.97 55.27 3n59 s LYS 46 Cb -0.05 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 3n59 s LYS 46 CO 0.13 -0.00 0.15 0.00 -0.36 0.00 0.00 175.35 175.26 3n59 s ALA 47 N 1.05 3.38 -0.45 3.13 0.00 -1.26 0.15 121.76 127.76 3n59 s ALA 47 Ca 0.02 -1.14 -0.15 0.00 0.00 0.00 0.00 51.96 50.69 3n59 s ALA 47 Cb -0.14 -2.33 0.05 0.00 0.00 0.00 0.00 23.12 20.69 3n59 s ALA 47 CO 0.02 -0.57 0.36 0.08 0.00 0.00 0.00 175.76 175.65 3n59 s VAL 48 N 1.70 5.24 -0.25 0.00 1.01 0.20 -4.80 120.40 123.50 3n59 s VAL 48 Ca 0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3n59 s VAL 48 Cb -0.16 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3n59 s VAL 48 CO 0.08 -0.47 0.09 -0.69 0.00 0.00 0.00 175.10 174.11 3n59 s VAL 49 N 1.66 4.52 0.02 2.92 1.01 -1.26 -0.68 120.40 128.58 3n59 s VAL 49 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3n59 s VAL 49 Cb -0.22 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3n59 s VAL 49 CO 0.08 0.33 -0.07 -0.13 0.00 0.00 0.00 175.10 175.30 3n59 s ARG 50 N 1.60 0.54 0.02 2.72 0.52 -0.19 -5.00 118.95 119.16 3n59 s ARG 50 Ca 0.06 -0.46 0.05 0.00 -0.52 0.00 0.00 55.73 54.87 3n59 s ARG 50 Cb -0.15 -0.44 -0.02 0.00 0.52 0.00 0.00 34.95 34.86 3n59 s ARG 50 CO 0.05 0.11 -0.16 -1.14 0.02 0.00 0.00 175.30 174.18 3n59 s GLN 51 N -0.76 1.14 -0.11 3.54 -0.44 -1.26 -0.77 119.66 121.00 3n59 s GLN 51 Ca -0.02 -0.70 -0.19 0.00 -2.50 0.00 0.00 55.36 51.95 3n59 s GLN 51 Cb -0.06 -1.15 0.04 0.00 -1.64 0.00 0.00 33.01 30.21 3n59 s GLN 51 CO 0.00 0.30 0.47 0.45 0.50 0.00 0.00 175.29 177.01 3n59 s SER 52 N -0.83 -0.44 0.00 6.67 0.15 -0.65 -4.97 113.70 113.63 3n59 s SER 52 Ca 0.04 0.67 0.27 0.00 0.70 0.00 0.00 55.95 57.63 3n59 s SER 52 Cb -0.07 0.72 0.80 0.00 -1.71 0.00 0.00 66.02 65.76 3n59 s SER 52 CO 0.01 -0.33 1.60 0.47 1.20 0.00 0.00 173.24 176.19 3n59 n ASP 53 N 2.03 0.68 -4.65 5.45 9.92 -1.26 -2.59 116.55 126.12 3n59 n ASP 53 Ca -0.17 -0.53 -0.38 0.00 -0.53 0.00 0.00 54.79 53.18 3n59 n ASP 53 Cb 0.56 0.09 -0.08 0.00 -0.64 0.00 0.00 41.12 41.05 3n59 n ASP 53 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3n59 s SER 54 N -2.69 6.35 0.17 -2.24 0.15 -1.26 -4.69 113.70 109.50 3n59 s SER 54 Ca 0.20 0.41 -0.14 0.00 0.70 0.00 0.00 55.95 57.12 3n59 s SER 54 Cb 0.19 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.35 3n59 s SER 54 CO 0.57 -0.08 1.80 -0.08 1.20 0.00 0.00 173.24 176.65 3n59 h GLU 55 N 7.56 0.72 -0.82 5.44 4.81 -2.00 -2.22 114.58 128.07 3n59 h GLU 55 Ca -0.35 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 58.89 3n59 h GLU 55 Cb 1.16 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 3n59 h GLU 55 CO 0.69 0.53 0.54 0.00 -0.73 0.00 0.00 179.01 180.04 3n59 h ALA 56 N 1.15 1.66 -0.23 2.92 0.00 -1.99 0.69 119.26 123.46 3n59 h ALA 56 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3n59 h ALA 56 Cb -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3n59 h ALA 56 CO -0.03 0.19 -0.18 0.37 0.00 0.00 0.00 179.25 179.60 3n59 h GLN 57 N 0.84 0.54 -0.69 0.00 5.75 -1.92 -2.29 115.11 117.34 3n59 h GLN 57 Ca 0.37 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3n59 h GLN 57 Cb 0.33 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3n59 h GLN 57 CO -0.14 0.84 0.40 -0.07 -2.65 0.00 0.00 178.83 177.21 3n59 h LEU 58 N 0.24 0.85 -0.97 -2.39 3.38 -0.75 -1.86 115.31 113.81 3n59 h LEU 58 Ca 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3n59 h LEU 58 Cb 0.72 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3n59 h LEU 58 CO 0.05 0.68 0.60 -0.07 0.09 0.00 0.00 178.44 179.79 3n59 h LEU 59 N 0.95 1.15 -0.69 1.67 3.38 -0.87 -1.77 115.31 119.13 3n59 h LEU 59 Ca 0.25 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3n59 h LEU 59 Cb 0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3n59 h LEU 59 CO -0.04 0.87 0.03 -0.78 0.09 0.00 0.00 178.44 178.60 3n59 h ASP 60 N 1.33 1.02 -0.00 -0.43 3.58 -0.96 -1.31 116.42 119.65 3n59 h ASP 60 Ca 0.35 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 3n59 h ASP 60 Cb -0.09 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.68 3n59 h ASP 60 CO -0.07 1.05 -0.30 -0.50 -2.88 0.00 0.00 179.24 176.54 3n59 h TRP 61 N 0.96 0.51 -0.37 0.28 6.55 -1.04 -2.49 115.95 120.35 3n59 h TRP 61 Ca 0.18 -0.12 -0.08 0.00 0.95 0.00 0.00 58.89 59.82 3n59 h TRP 61 Cb 0.51 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.68 3n59 h TRP 61 CO 0.04 0.71 -0.10 0.82 -1.05 0.00 0.00 178.44 178.86 3n59 h ILE 62 N 0.39 1.28 -0.63 1.49 1.08 -1.10 -2.59 117.51 117.42 3n59 h ILE 62 Ca 0.05 -1.17 0.06 0.00 -0.39 0.00 0.00 64.86 63.41 3n59 h ILE 62 Cb 0.73 1.28 -0.06 0.00 -3.07 0.00 0.00 36.82 35.70 3n59 h ILE 62 CO 0.06 0.39 0.33 0.45 -0.69 0.00 0.00 178.15 178.69 3n59 h HIS 63 N 0.51 0.61 -0.64 1.37 3.86 -1.04 -0.53 115.15 119.27 3n59 h HIS 63 Ca 0.09 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 3n59 h HIS 63 Cb 0.61 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3n59 h HIS 63 CO 0.05 0.27 0.08 1.96 0.86 0.00 0.00 177.93 181.15 3n59 h GLN 64 N 0.61 1.09 -0.14 2.45 4.20 -1.46 -1.88 115.11 119.97 3n59 h GLN 64 Ca 0.29 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3n59 h GLN 64 Cb 0.22 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3n59 h GLN 64 CO -0.20 1.02 -0.17 0.00 -0.67 0.00 0.00 178.83 178.81 3n59 h ALA 65 N 1.03 1.45 -0.30 3.87 0.00 -1.00 -0.82 119.26 123.48 3n59 h ALA 65 Ca 0.19 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3n59 h ALA 65 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3n59 h ALA 65 CO 0.02 0.39 -0.28 0.00 0.00 0.00 0.00 179.25 179.38 3n59 h ALA 66 N 1.61 0.44 -0.29 0.00 0.00 -0.77 -0.44 119.26 119.81 3n59 h ALA 66 Ca 0.04 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3n59 h ALA 66 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3n59 h ALA 66 CO 0.03 0.45 -0.38 -0.44 0.00 0.00 0.00 179.25 178.91 3n59 h ASP 67 N 0.48 0.71 0.11 0.00 3.32 -1.08 -2.94 116.42 117.01 3n59 h ASP 67 Ca 0.05 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3n59 h ASP 67 Cb 0.84 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3n59 h ASP 67 CO 0.07 1.01 -0.08 0.00 -1.72 0.00 0.00 179.24 178.52 3n59 n ALA 68 N -2.51 2.74 -3.81 3.45 0.00 -0.34 -4.96 120.51 115.08 3n59 n ALA 68 Ca -0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.82 3n59 n ALA 68 Cb 0.51 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.74 3n59 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n59 n ALA 69 N -0.36 -2.02 -2.63 0.00 0.00 -0.66 -4.99 120.51 109.85 3n59 n ALA 69 Ca 0.17 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 3n59 n ALA 69 Cb 0.31 -1.75 -0.10 0.00 0.00 0.00 0.00 19.45 17.91 3n59 n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3n59 s GLU 70 N -6.24 2.69 0.52 0.00 2.02 -0.27 -4.69 118.70 112.73 3n59 s GLU 70 Ca 0.01 -0.63 -0.23 0.00 0.02 0.00 0.00 54.97 54.14 3n59 s GLU 70 Cb -0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 34.13 31.58 3n59 s GLU 70 CO 0.85 0.63 1.37 -2.14 0.02 0.00 0.00 175.26 175.98 3n59 s PRO 71 N -1.32 3.32 -0.13 0.39 0.02 -1.26 -4.71 135.00 131.30 3n59 s PRO 71 Ca 0.17 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.46 3n59 s PRO 71 Cb -0.11 -2.37 0.02 0.00 0.02 0.00 0.00 34.50 32.05 3n59 s PRO 71 CO 0.07 -1.06 -0.14 0.08 -0.33 0.00 0.00 177.00 175.62 3n59 s VAL 72 N -1.29 1.52 -0.40 3.83 1.01 -0.91 -1.05 120.40 123.11 3n59 s VAL 72 Ca 0.68 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 3n59 s VAL 72 Cb -0.41 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3n59 s VAL 72 CO 0.49 0.45 0.32 -0.63 0.00 0.00 0.00 175.10 175.73 3n59 s ILE 73 N 1.25 5.23 -0.15 2.22 1.01 0.21 -0.90 121.20 130.08 3n59 s ILE 73 Ca -0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 3n59 s ILE 73 Cb -0.14 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3n59 s ILE 73 CO -0.06 -0.29 -0.14 -0.22 0.00 0.00 0.00 174.94 174.23 3n59 s LEU 74 N 1.76 2.62 -0.39 2.97 2.96 0.28 -0.58 118.68 128.30 3n59 s LEU 74 Ca 0.06 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3n59 s LEU 74 Cb -0.18 -1.60 0.11 0.00 0.50 0.00 0.00 46.19 45.02 3n59 s LEU 74 CO 0.11 0.12 0.12 0.21 -1.32 0.00 0.00 176.35 175.59 3n59 s ASN 75 N 0.61 4.56 0.00 3.68 3.84 -0.36 -0.56 114.94 126.72 3n59 s ASN 75 Ca -0.08 -2.40 0.29 0.00 0.21 0.00 0.00 52.86 50.89 3n59 s ASN 75 Cb -0.16 -1.57 1.22 0.00 -0.55 0.00 0.00 41.25 40.19 3n59 s ASN 75 CO 0.03 -0.33 1.92 0.00 -2.79 0.00 0.00 177.10 175.92 3n59 n ALA 76 N 3.93 2.35 -0.71 1.71 0.00 -1.26 0.69 120.51 127.22 3n59 n ALA 76 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3n59 n ALA 76 Cb 0.39 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3n59 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n59 n GLY 77 N 1.50 2.38 0.32 0.00 0.00 -1.26 -2.74 105.19 105.39 3n59 n GLY 77 Ca 0.07 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.81 3n59 n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n59 h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -1.68 103.07 101.42 3n59 h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n59 h GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3n59 n LEU 79 N -4.05 0.67 -0.29 3.11 4.77 -1.11 -2.57 117.00 117.54 3n59 n LEU 79 Ca 0.01 0.66 0.06 0.00 -0.03 0.00 0.00 56.01 56.72 3n59 n LEU 79 Cb 0.29 -0.56 0.28 0.00 -2.33 0.00 0.00 43.42 41.09 3n59 n LEU 79 CO 0.30 -0.54 1.24 0.74 -1.33 0.00 0.00 177.39 177.80 3n59 h THR 80 N 0.00 0.99 0.00 -5.08 2.02 -1.45 -1.78 112.91 107.62 3n59 h THR 80 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3n59 h THR 80 Cb 0.38 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3n59 h THR 80 CO 0.00 0.17 -0.87 1.41 0.37 0.00 0.00 175.52 176.60 3n59 n HIS 81 N -4.52 0.03 0.00 3.16 8.25 -1.06 -1.60 115.22 119.48 3n59 n HIS 81 Ca 0.15 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3n59 n HIS 81 Cb 0.28 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3n59 n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n59 n THR 82 N -1.57 0.00 -3.17 1.59 -2.24 -1.13 -4.81 114.28 102.95 3n59 n THR 82 Ca 0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 3n59 n THR 82 Cb 0.35 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 3n59 n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n59 s SER 83 N -2.83 6.26 0.22 3.42 0.15 -0.68 -4.88 113.70 115.35 3n59 s SER 83 Ca 0.00 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.10 3n59 s SER 83 Cb 0.00 -2.29 0.16 0.00 -1.71 0.00 0.00 66.02 62.18 3n59 s SER 83 CO 0.00 -0.78 1.50 0.58 1.20 0.00 0.00 173.24 175.73 3n59 h VAL 84 N 5.84 1.48 -0.63 4.45 2.07 -1.96 -3.13 116.25 124.37 3n59 h VAL 84 Ca -0.26 -2.38 -0.00 0.00 0.82 0.00 0.00 66.70 64.87 3n59 h VAL 84 Cb 1.10 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 3n59 h VAL 84 CO 0.90 0.69 0.38 0.00 0.02 0.00 0.00 177.57 179.55 3n59 h ALA 85 N 1.18 0.81 -0.39 1.67 0.00 -1.98 -0.88 119.26 119.67 3n59 h ALA 85 Ca -0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3n59 h ALA 85 Cb 1.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3n59 h ALA 85 CO 0.10 0.29 -0.24 1.25 0.00 0.00 0.00 179.25 180.65 3n59 h LEU 86 N 0.86 0.82 -0.21 0.00 5.85 -1.94 -2.32 115.31 118.37 3n59 h LEU 86 Ca 0.23 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3n59 h LEU 86 Cb -0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3n59 h LEU 86 CO -0.04 1.03 0.10 -0.09 -0.34 0.00 0.00 178.44 179.10 3n59 h ARG 87 N 0.69 0.22 -0.49 1.25 2.43 -1.43 -0.98 114.38 116.08 3n59 h ARG 87 Ca 0.09 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3n59 h ARG 87 Cb 0.77 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3n59 h ARG 87 CO 0.06 0.14 0.19 -0.44 -1.51 0.00 0.00 179.97 178.42 3n59 h ASP 88 N 0.22 0.63 -0.18 -3.80 3.32 -1.04 0.82 116.42 116.40 3n59 h ASP 88 Ca 0.09 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3n59 h ASP 88 Cb 0.02 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3n59 h ASP 88 CO -0.06 0.58 -0.27 0.00 -1.72 0.00 0.00 179.24 177.77 3n59 h ALA 89 N 1.52 0.27 -0.07 3.45 0.00 -1.24 -3.15 119.26 120.04 3n59 h ALA 89 Ca 0.17 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3n59 h ALA 89 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3n59 h ALA 89 CO -0.02 0.26 -0.15 0.00 0.00 0.00 0.00 179.25 179.35 3n59 h ALA 91 N 1.75 1.32 0.00 0.00 0.00 -0.80 -2.02 119.26 119.51 3n59 h ALA 91 Ca 0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3n59 h ALA 91 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3n59 h ALA 91 CO 0.02 -0.08 -0.41 0.93 0.00 0.00 0.00 179.25 179.71 3n59 h GLU 92 N 0.00 0.00 -6.63 0.00 5.08 -1.47 -3.46 114.58 108.10 3n59 h GLU 92 Ca 0.01 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.85 3n59 h GLU 92 Cb 0.14 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.44 3n59 h GLU 92 CO -0.00 0.41 0.99 -0.51 -1.00 0.00 0.00 179.01 178.91 3n59 s LEU 93 N -6.97 4.37 -0.09 1.33 1.43 -0.76 -4.91 118.68 113.08 3n59 s LEU 93 Ca 0.01 2.80 0.14 0.00 -1.03 0.00 0.00 54.13 56.04 3n59 s LEU 93 Cb 0.10 -3.59 -0.24 0.00 0.03 0.00 0.00 46.19 42.49 3n59 s LEU 93 CO 0.70 -0.94 0.49 -1.54 0.23 0.00 0.00 176.35 175.29 3n59 n SER 94 N 4.15 0.67 -4.88 2.29 3.41 -1.26 -4.94 113.62 113.05 3n59 n SER 94 Ca 0.16 0.29 -0.30 0.00 -0.26 0.00 0.00 58.87 58.76 3n59 n SER 94 Cb 0.36 0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.55 3n59 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n59 s ALA 95 N -2.57 3.08 0.37 7.33 0.00 -1.26 -5.01 121.76 123.71 3n59 s ALA 95 Ca -0.07 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.34 3n59 s ALA 95 Cb 0.07 -2.96 -0.11 0.00 0.00 0.00 0.00 23.12 20.12 3n59 s ALA 95 CO 0.82 -0.82 1.22 -2.30 0.00 0.00 0.00 175.76 174.69 3n59 n PRO 96 N -2.77 1.90 -4.30 0.00 -0.02 -1.26 -4.81 135.00 123.74 3n59 n PRO 96 Ca 0.06 0.67 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 3n59 n PRO 96 Cb 0.56 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.60 3n59 n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n59 s LEU 97 N -1.05 1.90 -0.20 2.45 2.96 -1.26 -2.14 118.68 121.33 3n59 s LEU 97 Ca 0.58 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3n59 s LEU 97 Cb -0.56 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3n59 s LEU 97 CO 0.60 0.01 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.91 3n59 s ILE 98 N 1.17 2.93 0.06 6.68 1.01 -0.08 -0.16 121.20 132.81 3n59 s ILE 98 Ca -0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 59.74 3n59 s ILE 98 Cb -0.14 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.97 3n59 s ILE 98 CO -0.07 0.46 0.81 -0.70 0.00 0.00 0.00 174.94 175.45 3n59 s GLU 99 N 1.38 4.55 -0.05 2.79 2.12 -0.27 -0.55 118.70 128.66 3n59 s GLU 99 Ca 0.05 1.16 0.03 0.00 0.36 0.00 0.00 54.97 56.57 3n59 s GLU 99 Cb -0.14 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.89 3n59 s GLU 99 CO -0.06 0.27 -0.13 0.08 -0.54 0.00 0.00 175.26 174.89 3n59 s VAL 100 N -0.07 1.12 -0.06 3.70 1.01 0.27 -0.44 120.40 125.93 3n59 s VAL 100 Ca 0.40 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3n59 s VAL 100 Cb -0.21 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3n59 s VAL 100 CO 0.25 0.34 -0.18 -1.00 0.00 0.00 0.00 175.10 174.51 3n59 s HIS 101 N 0.43 1.89 0.03 5.22 3.76 -0.26 -4.25 115.29 122.11 3n59 s HIS 101 Ca -0.10 -0.65 -0.22 0.00 -0.15 0.00 0.00 55.06 53.95 3n59 s HIS 101 Cb -0.13 -1.29 -0.15 0.00 1.11 0.00 0.00 32.58 32.11 3n59 s HIS 101 CO 0.03 -0.26 1.36 0.82 -0.85 0.00 0.00 174.74 175.84 3n59 h ILE 102 N 5.55 1.33 -3.12 0.60 2.04 -1.87 -2.72 117.51 119.32 3n59 h ILE 102 Ca -0.29 -1.16 -0.46 0.00 1.00 0.00 0.00 64.86 63.95 3n59 h ILE 102 Cb 1.19 1.85 0.05 0.00 -0.74 0.00 0.00 36.82 39.17 3n59 h ILE 102 CO 0.47 0.33 0.04 -0.94 0.00 0.00 0.00 178.15 178.06 3n59 s SER 103 N -5.95 5.55 -0.66 1.72 1.04 -1.26 -1.79 113.70 112.35 3n59 s SER 103 Ca -0.15 0.40 -0.25 0.00 0.48 0.00 0.00 55.95 56.43 3n59 s SER 103 Cb 0.05 -1.44 0.04 0.00 0.10 0.00 0.00 66.02 64.77 3n59 s SER 103 CO 0.73 -0.99 1.11 0.21 0.98 0.00 0.00 173.24 175.28 3n59 s ASN 104 N -4.31 6.23 0.59 7.02 3.84 -1.26 -2.25 114.94 124.79 3n59 s ASN 104 Ca 0.53 -0.55 0.37 0.00 0.21 0.00 0.00 52.86 53.42 3n59 s ASN 104 Cb -0.10 -2.49 1.73 0.00 -0.55 0.00 0.00 41.25 39.83 3n59 s ASN 104 CO 0.41 -1.57 2.12 -0.37 -2.79 0.00 0.00 177.10 174.90 3n59 h VAL 105 N 6.02 0.05 0.00 -5.21 -1.51 -1.94 -2.53 116.25 111.13 3n59 h VAL 105 Ca -0.28 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 3n59 h VAL 105 Cb 1.06 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3n59 h VAL 105 CO 1.21 0.01 -0.11 1.41 -1.23 0.00 0.00 177.57 178.86 3n59 n HIS 106 N -3.13 0.31 -0.45 5.19 8.25 -1.26 -3.28 115.22 120.85 3n59 n HIS 106 Ca -0.01 0.09 0.10 0.00 -0.26 0.00 0.00 57.72 57.64 3n59 n HIS 106 Cb 0.22 -0.61 0.31 0.00 1.12 0.00 0.00 29.99 31.04 3n59 n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n59 n ALA 107 N -1.61 2.60 -3.00 -1.41 0.00 -0.95 -4.96 120.51 111.19 3n59 n ALA 107 Ca 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.09 3n59 n ALA 107 Cb 0.37 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3n59 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n59 n ARG 108 N 1.27 3.34 -1.65 0.00 1.74 -1.21 -5.10 116.66 115.07 3n59 n ARG 108 Ca 0.23 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.97 3n59 n ARG 108 Cb 0.70 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.20 3n59 n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3n59 s GLU 109 N 3.95 2.53 0.35 5.56 8.01 -1.26 -4.94 118.70 132.90 3n59 s GLU 109 Ca 0.00 1.59 0.11 0.00 0.01 0.00 0.00 54.97 56.68 3n59 s GLU 109 Cb 0.00 -1.90 0.66 0.00 -4.31 0.00 0.00 34.13 28.58 3n59 s GLU 109 CO 0.00 -1.49 1.80 1.49 0.01 0.00 0.00 175.26 177.06 3n59 h GLU 110 N -0.02 0.05 0.00 1.61 4.57 -1.97 -2.74 114.58 116.08 3n59 h GLU 110 Ca -0.47 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3n59 h GLU 110 Cb 1.27 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3n59 h GLU 110 CO 0.52 0.43 -0.01 0.27 -1.18 0.00 0.00 179.01 179.04 3n59 h PHE 111 N 0.04 0.00 0.00 0.92 -5.15 -1.95 -2.06 116.94 108.74 3n59 h PHE 111 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3n59 h PHE 111 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.87 3n59 h PHE 111 CO 0.00 0.01 0.00 0.54 -2.00 0.00 0.00 178.31 176.87 3n59 n ARG 112 N -3.12 0.23 0.00 6.09 1.74 -1.03 -3.47 116.66 117.10 3n59 n ARG 112 Ca -0.00 0.01 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 3n59 n ARG 112 Cb 0.26 -1.50 0.65 0.00 -1.02 0.00 0.00 32.46 30.85 3n59 n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3n59 n ARG 113 N -1.38 1.25 -4.85 5.56 5.12 -0.78 -4.72 116.66 116.86 3n59 n ARG 113 Ca 0.11 -0.53 -0.33 0.00 -1.93 0.00 0.00 57.85 55.17 3n59 n ARG 113 Cb 0.28 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 29.94 3n59 n ARG 113 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3n59 s HIS 114 N -2.12 2.75 -0.06 -1.55 2.46 -1.23 -5.07 115.29 110.47 3n59 s HIS 114 Ca 0.38 -0.57 0.04 0.00 0.47 0.00 0.00 55.06 55.38 3n59 s HIS 114 Cb 0.21 -1.78 0.00 0.00 -0.13 0.00 0.00 32.58 30.88 3n59 s HIS 114 CO 0.38 -0.14 -0.18 0.45 -2.47 0.00 0.00 174.74 172.78 3n59 s SER 115 N 0.10 2.31 0.45 9.88 0.15 -1.26 -4.36 113.70 120.98 3n59 s SER 115 Ca -0.07 -0.39 0.26 0.00 0.70 0.00 0.00 55.95 56.45 3n59 s SER 115 Cb -0.15 -0.87 0.64 0.00 -1.71 0.00 0.00 66.02 63.93 3n59 s SER 115 CO 0.05 0.12 1.72 1.88 1.20 0.00 0.00 173.24 178.21 3n59 h TYR 116 N 6.57 0.00 0.05 3.44 0.05 -1.61 -3.34 116.97 122.12 3n59 h TYR 116 Ca -0.29 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.20 3n59 h TYR 116 Cb 1.19 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.90 3n59 h TYR 116 CO 0.46 0.00 -1.58 -0.07 -1.05 0.00 0.00 178.16 175.92 3n59 h LEU 117 N 0.00 0.16 -0.51 3.88 3.38 -1.91 -3.40 115.31 116.92 3n59 h LEU 117 Ca 0.00 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.78 3n59 h LEU 117 Cb 0.85 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 3n59 h LEU 117 CO 0.00 1.23 0.12 0.28 0.09 0.00 0.00 178.44 180.17 3n59 h SER 118 N 0.03 0.05 0.12 -0.43 0.02 -1.93 -0.25 113.55 111.16 3n59 h SER 118 Ca -0.25 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3n59 h SER 118 Cb 1.98 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 64.62 3n59 h SER 118 CO 0.11 0.05 -0.03 -0.65 -1.14 0.00 0.00 176.83 175.17 3n59 h PRO 119 N 0.27 0.00 -0.01 3.45 0.11 -1.79 -2.50 132.00 131.53 3n59 h PRO 119 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3n59 h PRO 119 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3n59 h PRO 119 CO -0.31 0.03 -0.36 0.44 -0.21 0.00 0.00 178.00 177.59 3n59 n ILE 120 N -3.63 0.00 -2.17 4.15 -6.64 -0.88 -4.98 119.36 105.20 3n59 n ILE 120 Ca -0.03 -0.32 -0.32 0.00 -1.77 0.00 0.00 62.75 60.31 3n59 n ILE 120 Cb 0.13 1.15 -0.01 0.00 -1.44 0.00 0.00 39.64 39.46 3n59 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3n59 s ALA 121 N -1.85 2.93 0.05 -1.28 0.00 -0.16 -4.88 121.76 116.57 3n59 s ALA 121 Ca 0.11 0.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 3n59 s ALA 121 Cb 0.12 -3.16 -0.14 0.00 0.00 0.00 0.00 23.12 19.94 3n59 s ALA 121 CO 0.40 -0.54 1.34 1.15 0.00 0.00 0.00 175.76 178.11 3n59 h THR 122 N 0.53 1.35 -3.38 0.00 2.02 -0.85 -3.48 112.91 109.10 3n59 h THR 122 Ca -0.46 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 3n59 h THR 122 Cb 1.20 1.88 -0.09 0.00 -1.74 0.00 0.00 68.15 69.40 3n59 h THR 122 CO 0.60 0.41 0.01 -0.83 0.37 0.00 0.00 175.52 176.08 3n59 s GLY 123 N -3.50 0.16 -0.04 2.16 0.00 -1.13 -5.03 107.32 99.95 3n59 s GLY 123 Ca -0.14 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.08 3n59 s GLY 123 CO 0.77 -0.37 -0.03 0.14 0.00 0.00 0.00 173.10 173.60 3n59 s VAL 124 N -3.94 0.40 -0.12 1.40 1.01 -1.26 -1.11 120.40 116.77 3n59 s VAL 124 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3n59 s VAL 124 Cb -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 3n59 s VAL 124 CO 0.04 0.19 -0.16 -0.63 0.00 0.00 0.00 175.10 174.54 3n59 s ILE 125 N 0.92 2.78 -0.00 2.22 1.01 0.41 -4.97 121.20 123.57 3n59 s ILE 125 Ca -0.11 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3n59 s ILE 125 Cb -0.14 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3n59 s ILE 125 CO -0.00 0.54 -0.02 -0.69 0.00 0.00 0.00 174.94 174.76 3n59 s VAL 126 N 0.32 0.17 0.00 2.92 1.01 -1.26 -1.10 120.40 122.46 3n59 s VAL 126 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3n59 s VAL 126 Cb -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.06 3n59 s VAL 126 CO 0.07 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3n59 n GLY 127 N 3.15 0.65 1.87 4.51 0.00 -0.95 -4.84 105.19 109.58 3n59 n GLY 127 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3n59 n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n59 n LEU 128 N 0.00 5.62 0.00 0.99 4.77 -1.24 -4.65 117.00 122.50 3n59 n LEU 128 Ca 0.00 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 3n59 n LEU 128 Cb 0.04 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 3n59 n LEU 128 CO 0.00 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3n59 n GLY 129 N -0.21 0.75 0.25 -0.72 0.00 -0.74 -3.24 105.19 101.29 3n59 n GLY 129 Ca 0.38 -0.79 0.17 0.00 0.00 0.00 0.00 46.02 45.77 3n59 n GLY 129 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3n59 h ILE 130 N 0.00 0.00 0.00 -0.61 3.07 -1.94 -2.78 117.51 115.25 3n59 h ILE 130 Ca 0.00 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 66.01 3n59 h ILE 130 Cb 0.00 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 3n59 h ILE 130 CO 0.00 0.00 0.00 -0.61 -1.05 0.00 0.00 178.15 176.49 3n59 h GLN 131 N 0.00 0.00 -0.71 0.16 4.15 -1.96 -2.64 115.11 114.10 3n59 h GLN 131 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 3n59 h GLN 131 Cb 0.43 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 3n59 h GLN 131 CO 0.00 0.00 0.47 0.78 -1.93 0.00 0.00 178.83 178.15 3n59 h GLY 132 N 1.64 0.89 1.05 2.39 0.00 -1.50 -0.16 103.07 107.39 3n59 h GLY 132 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 3n59 h GLY 132 CO 0.00 0.17 0.11 -0.97 0.00 0.00 0.00 176.54 175.86 3n59 h TYR 133 N 0.65 1.13 -0.17 5.60 -1.99 -1.71 -2.09 116.97 118.40 3n59 h TYR 133 Ca 0.32 -0.15 -0.17 0.00 2.00 0.00 0.00 58.73 60.72 3n59 h TYR 133 Cb 0.39 -0.31 -0.00 0.00 2.00 0.00 0.00 36.73 38.81 3n59 h TYR 133 CO -0.00 0.95 -0.61 -0.07 -0.00 0.00 0.00 178.16 178.43 3n59 h LEU 134 N 0.98 0.65 -0.64 3.88 3.38 -1.37 -1.60 115.31 120.59 3n59 h LEU 134 Ca 0.20 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 3n59 h LEU 134 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3n59 h LEU 134 CO 0.01 1.10 -0.60 -0.07 0.09 0.00 0.00 178.44 178.97 3n59 h LEU 135 N 0.42 0.31 -0.70 1.67 3.38 -1.10 -2.34 115.31 116.96 3n59 h LEU 135 Ca -0.01 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3n59 h LEU 135 Cb 1.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3n59 h LEU 135 CO 0.11 0.84 0.04 0.00 0.09 0.00 0.00 178.44 179.52 3n59 h ALA 136 N 1.17 0.91 -0.85 1.53 0.00 -1.19 -2.39 119.26 118.43 3n59 h ALA 136 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3n59 h ALA 136 Cb 1.11 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3n59 h ALA 136 CO 0.09 0.65 0.55 -0.07 0.00 0.00 0.00 179.25 180.48 3n59 h LEU 137 N 0.96 0.99 -1.08 0.00 3.38 -1.15 -2.78 115.31 115.62 3n59 h LEU 137 Ca 0.18 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3n59 h LEU 137 Cb 0.50 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3n59 h LEU 137 CO 0.02 0.73 -0.41 -0.09 0.09 0.00 0.00 178.44 178.77 3n59 h ARG 138 N 1.15 0.08 -0.41 1.13 2.43 -1.19 -1.44 114.38 116.13 3n59 h ARG 138 Ca 0.31 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3n59 h ARG 138 Cb -0.11 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3n59 h ARG 138 CO -0.06 0.49 0.13 -0.92 -1.51 0.00 0.00 179.97 178.09 3n59 h TYR 139 N 0.07 0.66 -0.10 2.20 3.20 -1.24 -3.04 116.97 118.71 3n59 h TYR 139 Ca 0.00 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 3n59 h TYR 139 Cb 0.77 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3n59 h TYR 139 CO 0.00 0.60 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.62 3n59 h LEU 140 N 0.52 0.24 -1.86 2.82 3.38 -1.19 -1.61 115.31 117.60 3n59 h LEU 140 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3n59 h LEU 140 Cb 0.25 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3n59 h LEU 140 CO -0.00 0.65 -0.12 0.00 0.09 0.00 0.00 178.44 179.06 3n59 h ALA 141 N 1.36 1.64 0.09 1.53 0.00 -1.25 -3.16 119.26 119.48 3n59 h ALA 141 Ca 0.01 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 3n59 h ALA 141 Cb 0.85 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3n59 h ALA 141 CO 0.07 0.15 -1.81 1.49 0.00 0.00 0.00 179.25 179.15 3n59 h GLU 142 N 0.00 0.20 -5.68 0.00 4.57 -1.29 -3.48 114.58 108.91 3n59 h GLU 142 Ca -0.00 -0.34 -0.66 0.00 -1.18 0.00 0.00 59.36 57.18 3n59 h GLU 142 Cb 0.23 0.13 -0.12 0.00 -0.16 0.00 0.00 28.75 28.83 3n59 h GLU 142 CO 0.02 1.01 -0.55 -1.01 -1.18 0.00 0.00 179.01 177.30 3n59 s HIS 143 N -2.58 3.36 0.00 0.92 3.76 -0.67 -5.13 115.29 114.96 3n59 s HIS 143 Ca -0.14 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 3n59 s HIS 143 Cb 0.07 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.84 3n59 s HIS 143 CO 0.81 0.51 0.00 0.28 -0.85 0.00 0.00 174.74 175.49