#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 4.04 -0.17 1.96 1.01 -1.26 -1.52 121.20 125.26 3n59 s ILE 4 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 3n59 s ILE 4 Cb 0.00 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3n59 s ILE 4 CO 0.00 0.43 0.04 -0.69 0.00 0.00 0.00 174.94 174.72 3n59 s VAL 5 N 0.92 4.56 -0.25 2.92 1.01 0.87 -4.07 120.40 126.36 3n59 s VAL 5 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 3n59 s VAL 5 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3n59 s VAL 5 CO 0.02 0.48 0.42 0.20 0.00 0.00 0.00 175.10 176.22 3n59 s ASN 6 N 0.25 6.35 -0.37 3.32 0.01 -0.40 -1.01 114.94 123.08 3n59 s ASN 6 Ca 0.02 0.41 -0.09 0.00 -0.71 0.00 0.00 52.86 52.49 3n59 s ASN 6 Cb -0.13 -2.23 0.04 0.00 0.41 0.00 0.00 41.25 39.34 3n59 s ASN 6 CO 0.01 -0.18 0.18 -0.69 -1.51 0.00 0.00 177.10 174.90 3n59 s VAL 7 N 1.94 4.19 -0.23 1.60 1.01 0.15 -0.20 120.40 128.86 3n59 s VAL 7 Ca 0.18 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3n59 s VAL 7 Cb -0.15 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.83 3n59 s VAL 7 CO 0.09 -0.27 -0.07 -0.63 0.00 0.00 0.00 175.10 174.22 3n59 s ILE 8 N 1.47 2.98 -0.16 2.22 1.01 0.34 -0.16 121.20 128.90 3n59 s ILE 8 Ca 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 3n59 s ILE 8 Cb -0.20 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3n59 s ILE 8 CO 0.04 0.31 0.01 0.20 0.00 0.00 0.00 174.94 175.51 3n59 s ASN 9 N 1.38 5.23 0.15 3.58 0.01 0.94 -1.29 114.94 124.93 3n59 s ASN 9 Ca 0.03 -0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 3n59 s ASN 9 Cb -0.15 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.67 3n59 s ASN 9 CO -0.05 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.34 3n59 n GLY 10 N 3.39 0.55 3.53 0.66 0.00 0.22 -1.58 105.19 111.96 3n59 n GLY 10 Ca -0.17 -1.86 -0.47 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.30 0.88 -0.37 1.61 -0.02 -1.10 -2.51 135.00 133.18 3n59 n PRO 11 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3n59 n PRO 11 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.65 0.00 0.22 2.55 3.02 -1.26 -4.49 115.26 116.95 3n59 n ASN 12 Ca 0.14 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.82 3n59 n ASN 12 Cb 0.27 -0.79 0.30 0.00 -0.61 0.00 0.00 39.78 38.95 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 -1.85 -2.24 115.31 118.01 3n59 h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n59 h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n59 h LEU 13 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3n59 n GLY 14 N 0.88 -1.01 1.09 0.83 0.00 -1.26 -3.02 105.19 102.69 3n59 n GLY 14 Ca 0.03 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.36 2.53 -1.71 1.61 5.12 -0.84 -4.73 116.66 117.27 3n59 n ARG 15 Ca 0.08 -2.00 -0.43 0.00 -1.93 0.00 0.00 57.85 53.57 3n59 n ARG 15 Cb 0.18 -1.53 -0.03 0.00 -1.16 0.00 0.00 32.46 29.92 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 0.96 3.89 0.00 0.55 4.77 -1.17 -3.07 117.00 122.93 3n59 n LEU 16 Ca 0.18 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 3n59 n LEU 16 Cb 0.54 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 3n59 n LEU 16 CO 0.14 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3n59 n GLY 17 N 3.12 1.89 0.15 -0.72 0.00 -1.22 -3.73 105.19 104.68 3n59 n GLY 17 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 1.61 0.00 -1.18 -4.93 116.66 112.16 3n59 n ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3n59 n ARG 18 Cb 0.00 -0.98 0.00 0.00 -0.00 0.00 0.00 32.46 31.48 3n59 n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3n59 n GLY 25 N -0.18 0.00 1.01 2.89 0.00 -1.26 -5.15 105.19 102.50 3n59 n GLY 25 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.34 3.66 -0.02 0.00 -1.26 -4.93 105.19 103.98 3n59 n GLY 26 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.62 4.25 0.79 2.61 2.01 -1.26 -4.58 115.64 117.83 3n59 s THR 27 Ca 0.36 1.52 -0.12 0.00 0.31 0.00 0.00 61.69 63.77 3n59 s THR 27 Cb 0.21 -3.98 0.06 0.00 0.01 0.00 0.00 72.50 68.81 3n59 s THR 27 CO 0.31 -0.12 1.11 0.42 -0.69 0.00 0.00 174.62 175.64 3n59 s THR 28 N 3.40 2.95 0.23 -0.82 -4.23 -1.26 -3.42 115.64 112.50 3n59 s THR 28 Ca 0.55 0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 3n59 s THR 28 Cb -0.22 -3.14 0.09 0.00 1.34 0.00 0.00 72.50 70.56 3n59 s THR 28 CO 0.16 -0.40 1.71 -0.74 -0.54 0.00 0.00 174.62 174.80 3n59 h HIS 29 N -1.02 0.94 -0.91 3.99 2.76 -1.85 -0.87 115.15 118.19 3n59 h HIS 29 Ca -0.47 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 3n59 h HIS 29 Cb 1.28 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 3n59 h HIS 29 CO 0.44 0.87 0.58 -0.44 -1.30 0.00 0.00 177.93 178.08 3n59 h ASP 30 N 0.80 1.07 -0.31 3.26 3.32 -1.93 -0.85 116.42 121.78 3n59 h ASP 30 Ca 0.15 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3n59 h ASP 30 Cb 0.52 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3n59 h ASP 30 CO 0.03 0.80 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.81 3n59 h GLU 31 N 1.25 0.79 -0.73 3.56 5.08 -1.84 -2.23 114.58 120.47 3n59 h GLU 31 Ca 0.33 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3n59 h GLU 31 Cb -0.10 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3n59 h GLU 31 CO -0.07 0.93 0.23 1.25 -1.00 0.00 0.00 179.01 180.36 3n59 h LEU 32 N 0.69 1.05 -0.62 1.33 5.85 -0.83 -0.33 115.31 122.45 3n59 h LEU 32 Ca 0.10 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3n59 h LEU 32 Cb 0.72 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3n59 h LEU 32 CO 0.06 0.98 0.39 0.58 -0.34 0.00 0.00 178.44 180.11 3n59 h VAL 33 N 1.07 1.17 -0.45 1.05 2.07 -1.01 -0.77 116.25 119.39 3n59 h VAL 33 Ca 0.23 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3n59 h VAL 33 Cb 0.30 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3n59 h VAL 33 CO -0.01 0.17 0.08 0.00 0.02 0.00 0.00 177.57 177.84 3n59 h ALA 34 N 1.21 0.59 -0.84 1.67 0.00 -1.15 -1.84 119.26 118.90 3n59 h ALA 34 Ca 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3n59 h ALA 34 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3n59 h ALA 34 CO -0.05 0.30 0.42 -0.07 0.00 0.00 0.00 179.25 179.86 3n59 h LEU 35 N 0.60 1.08 -0.63 0.00 3.38 -0.79 -2.56 115.31 116.39 3n59 h LEU 35 Ca 0.14 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3n59 h LEU 35 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3n59 h LEU 35 CO 0.01 0.90 -0.15 0.40 0.09 0.00 0.00 178.44 179.68 3n59 h ILE 36 N 1.18 1.27 -0.42 1.22 2.04 -1.07 -2.51 117.51 119.22 3n59 h ILE 36 Ca 0.29 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.91 3n59 h ILE 36 Cb 0.09 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3n59 h ILE 36 CO -0.04 0.44 0.18 -0.08 0.00 0.00 0.00 178.15 178.66 3n59 h GLU 37 N 0.81 0.37 -0.40 2.37 4.81 -1.03 -0.34 114.58 121.17 3n59 h GLU 37 Ca 0.12 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3n59 h GLU 37 Cb 0.69 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3n59 h GLU 37 CO 0.05 0.24 -0.28 0.00 -0.73 0.00 0.00 179.01 178.29 3n59 h ARG 38 N 0.38 0.90 -0.61 1.92 3.08 -1.41 -2.26 114.38 116.38 3n59 h ARG 38 Ca 0.19 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 3n59 h ARG 38 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3n59 h ARG 38 CO -0.16 1.08 0.04 1.49 -1.07 0.00 0.00 179.97 181.35 3n59 h GLU 39 N 0.72 1.04 -0.73 0.04 4.57 -1.31 -2.04 114.58 116.87 3n59 h GLU 39 Ca 0.08 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3n59 h GLU 39 Cb 0.86 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3n59 h GLU 39 CO 0.08 1.00 0.44 0.00 -1.18 0.00 0.00 179.01 179.34 3n59 h ALA 40 N 1.07 1.40 -0.54 2.92 0.00 -0.96 -1.15 119.26 122.00 3n59 h ALA 40 Ca 0.18 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3n59 h ALA 40 Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3n59 h ALA 40 CO 0.02 0.52 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 3n59 h ALA 41 N 1.48 0.74 -0.41 0.00 0.00 -1.01 -0.99 119.26 119.06 3n59 h ALA 41 Ca 0.26 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3n59 h ALA 41 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3n59 h ALA 41 CO -0.05 0.63 0.06 0.93 0.00 0.00 0.00 179.25 180.82 3n59 h GLU 42 N 0.88 0.68 0.00 0.00 5.08 -1.07 -3.17 114.58 116.99 3n59 h GLU 42 Ca 0.14 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3n59 h GLU 42 Cb 0.64 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3n59 h GLU 42 CO 0.04 0.73 0.00 -0.07 -1.00 0.00 0.00 179.01 178.71 3n59 h LEU 43 N 0.53 0.00 -0.44 1.33 3.38 -1.14 -3.47 115.31 115.50 3n59 h LEU 43 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3n59 h LEU 43 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3n59 h LEU 43 CO 0.01 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 179.04 3n59 n GLY 44 N 1.10 0.52 3.30 0.83 0.00 -0.48 -5.01 105.19 105.46 3n59 n GLY 44 Ca 0.05 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 3n59 n GLY 44 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3n59 s LEU 45 N -1.75 2.21 -0.10 0.99 0.05 -0.60 -4.90 118.68 114.58 3n59 s LEU 45 Ca 0.07 -1.19 -0.09 0.00 0.05 0.00 0.00 54.13 52.97 3n59 s LEU 45 Cb -0.03 -0.23 -0.04 0.00 -2.05 0.00 0.00 46.19 43.83 3n59 s LEU 45 CO 0.08 -0.50 0.20 -1.59 -0.55 0.00 0.00 176.35 173.99 3n59 s LYS 46 N -3.86 3.61 -0.08 1.48 0.00 -0.58 -4.33 119.74 115.99 3n59 s LYS 46 Ca 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 55.97 56.24 3n59 s LYS 46 Cb 0.05 -3.22 0.02 0.00 0.00 0.00 0.00 37.83 34.68 3n59 s LYS 46 CO 0.07 0.72 -0.10 0.00 0.00 0.00 0.00 175.35 176.03 3n59 s ALA 47 N -0.91 1.22 -0.26 0.59 0.00 -1.26 -0.09 121.76 121.04 3n59 s ALA 47 Ca 0.17 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 3n59 s ALA 47 Cb -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3n59 s ALA 47 CO 0.06 -0.04 0.02 0.08 0.00 0.00 0.00 175.76 175.88 3n59 s VAL 48 N 0.97 3.66 -0.26 0.00 1.01 -0.18 -4.96 120.40 120.65 3n59 s VAL 48 Ca -0.09 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 3n59 s VAL 48 Cb -0.15 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3n59 s VAL 48 CO 0.00 0.21 0.18 -0.69 0.00 0.00 0.00 175.10 174.79 3n59 s VAL 49 N 1.47 5.33 0.04 2.92 1.01 -1.26 0.30 120.40 130.22 3n59 s VAL 49 Ca 0.03 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.24 3n59 s VAL 49 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3n59 s VAL 49 CO -0.00 0.30 -0.15 -0.13 0.00 0.00 0.00 175.10 175.11 3n59 s ARG 50 N 1.42 1.05 -0.01 2.72 0.52 0.78 -4.99 118.95 120.43 3n59 s ARG 50 Ca 0.07 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 3n59 s ARG 50 Cb -0.15 -1.07 0.02 0.00 0.52 0.00 0.00 34.95 34.27 3n59 s ARG 50 CO 0.08 0.27 0.00 -1.14 0.02 0.00 0.00 175.30 174.53 3n59 s GLN 51 N -1.07 0.13 -0.11 3.54 -0.44 -1.26 -0.04 119.66 120.41 3n59 s GLN 51 Ca 0.03 0.05 -0.14 0.00 -2.50 0.00 0.00 55.36 52.80 3n59 s GLN 51 Cb -0.08 -0.26 0.04 0.00 -1.64 0.00 0.00 33.01 31.06 3n59 s GLN 51 CO 0.01 -0.07 0.38 0.45 0.50 0.00 0.00 175.29 176.56 3n59 s SER 52 N 0.59 -0.36 0.00 6.67 0.15 -0.61 -4.98 113.70 115.15 3n59 s SER 52 Ca -0.05 0.63 0.28 0.00 0.70 0.00 0.00 55.95 57.51 3n59 s SER 52 Cb -0.08 0.68 1.17 0.00 -1.71 0.00 0.00 66.02 66.08 3n59 s SER 52 CO -0.01 -0.21 1.82 0.47 1.20 0.00 0.00 173.24 176.50 3n59 n ASP 53 N 2.47 0.73 -4.58 5.45 8.00 -1.26 -2.70 116.55 124.66 3n59 n ASP 53 Ca -0.15 -0.86 -0.40 0.00 0.71 0.00 0.00 54.79 54.09 3n59 n ASP 53 Cb 0.57 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.57 3n59 n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n59 s SER 54 N -2.34 6.27 0.18 -2.24 0.15 -1.26 -4.67 113.70 109.79 3n59 s SER 54 Ca 0.32 0.11 -0.13 0.00 0.70 0.00 0.00 55.95 56.94 3n59 s SER 54 Cb 0.20 -2.23 0.12 0.00 -1.71 0.00 0.00 66.02 62.40 3n59 s SER 54 CO 0.45 -0.31 1.81 -0.08 1.20 0.00 0.00 173.24 176.30 3n59 h GLU 55 N 8.30 0.57 -0.99 5.44 4.81 -2.00 -2.03 114.58 128.68 3n59 h GLU 55 Ca -0.30 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 3n59 h GLU 55 Cb 1.15 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 3n59 h GLU 55 CO 0.70 0.38 0.64 0.00 -0.73 0.00 0.00 179.01 179.99 3n59 h ALA 56 N 1.25 1.44 -0.42 2.92 0.00 -1.99 -0.84 119.26 121.62 3n59 h ALA 56 Ca 0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3n59 h ALA 56 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3n59 h ALA 56 CO -0.12 0.40 -0.24 0.37 0.00 0.00 0.00 179.25 179.66 3n59 h GLN 57 N 1.13 0.86 -0.59 0.00 5.75 -1.85 -2.17 115.11 118.24 3n59 h GLN 57 Ca 0.44 -0.36 -0.10 0.00 -0.15 0.00 0.00 58.65 58.48 3n59 h GLN 57 Cb 0.22 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3n59 h GLN 57 CO -0.18 1.00 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.92 3n59 h LEU 58 N 0.74 1.02 -0.68 -2.39 3.38 -0.83 -2.41 115.31 114.13 3n59 h LEU 58 Ca 0.09 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3n59 h LEU 58 Cb 0.78 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3n59 h LEU 58 CO 0.06 1.07 0.42 -0.07 0.09 0.00 0.00 178.44 180.02 3n59 h LEU 59 N 0.95 0.81 -0.73 1.67 3.38 -0.97 -1.78 115.31 118.63 3n59 h LEU 59 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3n59 h LEU 59 Cb 0.56 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3n59 h LEU 59 CO 0.03 0.62 0.34 -0.78 0.09 0.00 0.00 178.44 178.74 3n59 h ASP 60 N 0.93 0.97 -0.09 -0.43 3.58 -1.28 -1.11 116.42 118.98 3n59 h ASP 60 Ca 0.25 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 3n59 h ASP 60 Cb -0.05 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 3n59 h ASP 60 CO -0.05 0.84 -0.24 -0.50 -2.88 0.00 0.00 179.24 176.41 3n59 h TRP 61 N 1.03 0.60 -0.26 0.28 6.55 -1.14 -1.76 115.95 121.24 3n59 h TRP 61 Ca 0.25 -0.13 -0.05 0.00 0.95 0.00 0.00 58.89 59.91 3n59 h TRP 61 Cb 0.14 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 3n59 h TRP 61 CO 0.01 0.73 -0.03 0.82 -1.05 0.00 0.00 178.44 178.92 3n59 h ILE 62 N 0.47 1.27 -0.60 1.49 1.08 -1.11 -2.64 117.51 117.47 3n59 h ILE 62 Ca 0.07 -1.00 0.09 0.00 -0.39 0.00 0.00 64.86 63.63 3n59 h ILE 62 Cb 0.68 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 35.76 3n59 h ILE 62 CO 0.05 0.32 0.22 0.45 -0.69 0.00 0.00 178.15 178.49 3n59 h HIS 63 N 0.24 0.38 -0.62 1.37 3.86 -0.92 0.50 115.15 119.96 3n59 h HIS 63 Ca 0.07 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 3n59 h HIS 63 Cb 0.48 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 3n59 h HIS 63 CO 0.04 0.09 0.33 1.96 0.86 0.00 0.00 177.93 181.21 3n59 h GLN 64 N 0.40 0.88 0.00 2.45 4.20 -1.33 -1.85 115.11 119.85 3n59 h GLN 64 Ca 0.31 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 3n59 h GLN 64 Cb 0.38 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3n59 h GLN 64 CO -0.31 0.68 -0.29 0.00 -0.67 0.00 0.00 178.83 178.24 3n59 h ALA 65 N 1.15 1.32 -0.09 3.87 0.00 -0.99 -0.28 119.26 124.24 3n59 h ALA 65 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 65 Cb 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3n59 h ALA 65 CO -0.03 0.36 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 3n59 h ALA 66 N 1.71 0.14 -0.40 0.00 0.00 -0.44 -0.25 119.26 120.02 3n59 h ALA 66 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3n59 h ALA 66 Cb 0.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3n59 h ALA 66 CO 0.04 -0.01 -0.18 -0.44 0.00 0.00 0.00 179.25 178.66 3n59 h ASP 67 N -0.18 0.75 0.15 0.00 3.32 -1.16 -2.73 116.42 116.57 3n59 h ASP 67 Ca 0.01 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3n59 h ASP 67 Cb 0.63 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3n59 h ASP 67 CO 0.03 0.93 -0.03 0.00 -1.72 0.00 0.00 179.24 178.44 3n59 n ALA 68 N -2.49 2.67 -3.95 3.45 0.00 -0.13 -4.94 120.51 115.12 3n59 n ALA 68 Ca 0.01 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 3n59 n ALA 68 Cb 0.40 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.77 -1.67 -2.72 0.00 0.00 -0.73 -4.98 120.51 109.63 3n59 n ALA 69 Ca 0.19 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 3n59 n ALA 69 Cb 0.22 -2.74 -0.09 0.00 0.00 0.00 0.00 19.45 16.85 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 -6.54 3.04 0.58 0.00 2.02 -0.18 -4.65 118.70 112.97 3n59 s GLU 70 Ca 0.32 -0.39 -0.20 0.00 0.02 0.00 0.00 54.97 54.72 3n59 s GLU 70 Cb -0.17 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 3n59 s GLU 70 CO 0.87 0.70 1.30 -2.14 0.02 0.00 0.00 175.26 176.01 3n59 s PRO 71 N -1.04 2.97 -0.06 0.39 0.02 -1.26 -4.68 135.00 131.34 3n59 s PRO 71 Ca 0.15 2.09 0.03 0.00 0.02 0.00 0.00 61.00 63.29 3n59 s PRO 71 Cb -0.11 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3n59 s PRO 71 CO 0.04 -1.27 -0.17 0.08 -0.33 0.00 0.00 177.00 175.35 3n59 s VAL 72 N -1.39 1.44 -0.28 3.83 1.01 -0.75 -1.28 120.40 122.98 3n59 s VAL 72 Ca 0.75 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 3n59 s VAL 72 Cb -0.37 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3n59 s VAL 72 CO 0.42 0.42 0.10 -0.63 0.00 0.00 0.00 175.10 175.41 3n59 s ILE 73 N 0.33 4.29 -0.15 2.22 1.01 0.72 -0.87 121.20 128.75 3n59 s ILE 73 Ca -0.11 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3n59 s ILE 73 Cb -0.14 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.21 3n59 s ILE 73 CO 0.04 0.17 -0.20 -0.22 0.00 0.00 0.00 174.94 174.74 3n59 s LEU 74 N 1.58 2.03 -0.39 2.97 2.96 0.01 -0.51 118.68 127.33 3n59 s LEU 74 Ca 0.05 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3n59 s LEU 74 Cb -0.16 -1.39 0.10 0.00 0.50 0.00 0.00 46.19 45.24 3n59 s LEU 74 CO 0.04 0.03 0.16 0.21 -1.32 0.00 0.00 176.35 175.47 3n59 s ASN 75 N 1.07 5.16 0.00 3.68 3.84 -0.41 -0.78 114.94 127.50 3n59 s ASN 75 Ca -0.01 -1.95 0.29 0.00 0.21 0.00 0.00 52.86 51.40 3n59 s ASN 75 Cb -0.14 -1.79 1.34 0.00 -0.55 0.00 0.00 41.25 40.10 3n59 s ASN 75 CO -0.07 -0.49 1.91 0.00 -2.79 0.00 0.00 177.10 175.67 3n59 n ALA 76 N 4.56 2.70 -0.98 1.71 0.00 -1.26 0.69 120.51 127.93 3n59 n ALA 76 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3n59 n ALA 76 Cb 0.42 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.18 3.50 0.27 0.00 0.00 -1.26 -2.26 105.19 106.63 3n59 n GLY 77 Ca 0.18 -0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.93 103.07 100.17 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 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 3n59 h LEU 79 N 0.00 0.00 -0.75 3.11 3.38 -1.83 -3.00 115.31 116.21 3n59 h LEU 79 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3n59 h LEU 79 Cb 0.49 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 3n59 h LEU 79 CO 0.01 0.01 0.22 0.74 0.09 0.00 0.00 178.44 179.50 3n59 h THR 80 N 0.00 0.53 -0.01 0.22 2.02 -1.63 -0.94 112.91 113.10 3n59 h THR 80 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3n59 h THR 80 Cb 0.40 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3n59 h THR 80 CO 0.00 0.06 -0.33 1.41 0.37 0.00 0.00 175.52 177.03 3n59 n HIS 81 N -5.12 0.00 0.00 3.16 8.25 -1.13 -1.85 115.22 118.53 3n59 n HIS 81 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3n59 n HIS 81 Cb 0.47 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.56 0.00 -3.49 1.59 -2.24 -0.96 -4.79 114.28 103.83 3n59 n THR 82 Ca 0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 3n59 n THR 82 Cb 0.37 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.47 6.03 0.15 3.42 0.15 -0.40 -4.89 113.70 116.69 3n59 s SER 83 Ca 0.00 -0.90 -0.04 0.00 0.70 0.00 0.00 55.95 55.71 3n59 s SER 83 Cb 0.00 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 3n59 s SER 83 CO 0.00 -0.43 1.38 0.58 1.20 0.00 0.00 173.24 175.97 3n59 h VAL 84 N 5.67 1.37 -0.69 4.45 2.07 -1.96 -3.11 116.25 124.06 3n59 h VAL 84 Ca -0.27 -2.20 0.09 0.00 0.82 0.00 0.00 66.70 65.13 3n59 h VAL 84 Cb 1.12 2.18 -0.07 0.00 -1.52 0.00 0.00 31.29 33.00 3n59 h VAL 84 CO 0.71 0.67 0.35 0.00 0.02 0.00 0.00 177.57 179.32 3n59 h ALA 85 N 0.83 0.94 -0.40 1.67 0.00 -1.98 0.17 119.26 120.49 3n59 h ALA 85 Ca -0.05 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3n59 h ALA 85 Cb 1.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3n59 h ALA 85 CO 0.14 -0.04 -0.32 1.25 0.00 0.00 0.00 179.25 180.27 3n59 h LEU 86 N 0.60 0.98 -0.38 0.00 5.85 -1.94 -2.06 115.31 118.35 3n59 h LEU 86 Ca 0.33 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3n59 h LEU 86 Cb 0.33 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3n59 h LEU 86 CO -0.25 1.22 0.18 -0.09 -0.34 0.00 0.00 178.44 179.16 3n59 h ARG 87 N 0.75 0.36 -0.39 1.25 2.43 -1.32 -1.77 114.38 115.69 3n59 h ARG 87 Ca 0.07 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3n59 h ARG 87 Cb 0.91 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3n59 h ARG 87 CO 0.08 0.24 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.28 3n59 h ASP 88 N 0.37 0.63 -0.46 -3.80 3.32 -0.58 -1.45 116.42 114.45 3n59 h ASP 88 Ca 0.17 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3n59 h ASP 88 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3n59 h ASP 88 CO -0.13 0.74 0.14 0.00 -1.72 0.00 0.00 179.24 178.27 3n59 h ALA 89 N 1.33 0.60 0.00 3.45 0.00 -1.21 -3.04 119.26 120.40 3n59 h ALA 89 Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3n59 h ALA 89 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3n59 h ALA 89 CO 0.02 0.26 -0.13 0.00 0.00 0.00 0.00 179.25 179.40 3n59 h ALA 91 N 1.87 1.00 0.00 0.00 0.00 -1.15 -2.29 119.26 118.68 3n59 h ALA 91 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3n59 h ALA 91 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3n59 h ALA 91 CO 0.02 0.00 -0.07 0.93 0.00 0.00 0.00 179.25 180.13 3n59 h GLU 92 N 0.00 0.00 -6.40 0.00 5.08 -1.62 -3.45 114.58 108.19 3n59 h GLU 92 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3n59 h GLU 92 Cb 0.36 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 3n59 h GLU 92 CO 0.00 0.07 1.05 -0.51 -1.00 0.00 0.00 179.01 178.62 3n59 s LEU 93 N -6.28 4.37 -0.12 1.33 1.43 -0.87 -4.88 118.68 113.67 3n59 s LEU 93 Ca 0.04 2.46 0.14 0.00 -1.03 0.00 0.00 54.13 55.74 3n59 s LEU 93 Cb 0.07 -3.55 -0.24 0.00 0.03 0.00 0.00 46.19 42.50 3n59 s LEU 93 CO 0.63 -0.92 0.39 -1.54 0.23 0.00 0.00 176.35 175.14 3n59 n SER 94 N 6.20 0.59 -4.85 2.29 3.41 -1.26 -4.91 113.62 115.09 3n59 n SER 94 Ca 0.17 0.23 -0.31 0.00 -0.26 0.00 0.00 58.87 58.69 3n59 n SER 94 Cb 0.41 0.33 0.01 0.00 -0.26 0.00 0.00 64.21 64.70 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 -2.55 2.97 0.53 7.33 0.00 -1.26 -5.01 121.76 123.77 3n59 s ALA 95 Ca -0.08 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.69 3n59 s ALA 95 Cb 0.07 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.01 3n59 s ALA 95 CO 0.82 -0.73 1.35 -2.30 0.00 0.00 0.00 175.76 174.90 3n59 n PRO 96 N -2.55 1.75 -4.42 0.00 -0.02 -1.26 -4.76 135.00 123.74 3n59 n PRO 96 Ca 0.07 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 3n59 n PRO 96 Cb 0.54 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.30 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 -3.17 2.20 -0.25 2.45 2.96 -1.26 -1.81 118.68 119.81 3n59 s LEU 97 Ca 0.70 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3n59 s LEU 97 Cb -0.43 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 3n59 s LEU 97 CO 0.51 0.05 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.96 3n59 s ILE 98 N 1.01 3.57 0.14 6.68 -1.09 -0.04 -0.13 121.20 131.33 3n59 s ILE 98 Ca -0.02 -0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 57.53 3n59 s ILE 98 Cb -0.15 -2.71 -0.07 0.00 -1.58 0.00 0.00 42.46 37.96 3n59 s ILE 98 CO -0.06 0.30 0.95 -0.70 -1.23 0.00 0.00 174.94 174.20 3n59 s GLU 99 N 1.48 4.73 -0.04 2.79 2.12 -0.31 -0.81 118.70 128.66 3n59 s GLU 99 Ca 0.04 1.45 0.03 0.00 0.36 0.00 0.00 54.97 56.85 3n59 s GLU 99 Cb -0.15 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.89 3n59 s GLU 99 CO -0.01 0.30 -0.11 0.08 -0.54 0.00 0.00 175.26 174.97 3n59 s VAL 100 N -0.32 0.99 -0.05 3.70 1.01 0.04 -1.11 120.40 124.66 3n59 s VAL 100 Ca 0.45 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3n59 s VAL 100 Cb -0.24 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.26 3n59 s VAL 100 CO 0.30 0.31 -0.14 -1.00 0.00 0.00 0.00 175.10 174.57 3n59 s HIS 101 N 0.29 1.48 0.01 5.22 3.76 -0.51 -4.25 115.29 121.28 3n59 s HIS 101 Ca -0.06 -0.48 -0.23 0.00 -0.15 0.00 0.00 55.06 54.14 3n59 s HIS 101 Cb -0.11 -1.04 -0.18 0.00 1.11 0.00 0.00 32.58 32.36 3n59 s HIS 101 CO 0.01 -0.21 1.31 0.82 -0.85 0.00 0.00 174.74 175.82 3n59 h ILE 102 N 5.61 1.37 -3.48 0.60 2.04 -1.87 -2.57 117.51 119.21 3n59 h ILE 102 Ca -0.32 -1.19 -0.49 0.00 1.00 0.00 0.00 64.86 63.86 3n59 h ILE 102 Cb 1.18 2.03 0.03 0.00 -0.74 0.00 0.00 36.82 39.32 3n59 h ILE 102 CO 0.48 0.33 0.08 -0.94 0.00 0.00 0.00 178.15 178.10 3n59 s SER 103 N -5.87 6.20 -0.66 1.72 1.04 -1.26 -1.73 113.70 113.15 3n59 s SER 103 Ca -0.15 0.85 -0.27 0.00 0.48 0.00 0.00 55.95 56.85 3n59 s SER 103 Cb 0.03 -2.17 0.02 0.00 0.10 0.00 0.00 66.02 64.00 3n59 s SER 103 CO 0.71 -0.59 1.42 0.21 0.98 0.00 0.00 173.24 175.97 3n59 s ASN 104 N -4.12 6.00 0.25 7.02 3.84 -1.26 -2.33 114.94 124.34 3n59 s ASN 104 Ca 0.47 -0.08 0.23 0.00 0.21 0.00 0.00 52.86 53.70 3n59 s ASN 104 Cb -0.10 -2.55 0.97 0.00 -0.55 0.00 0.00 41.25 39.02 3n59 s ASN 104 CO 0.44 -1.89 1.71 0.55 -2.79 0.00 0.00 177.10 175.12 3n59 n VAL 105 N 6.68 0.83 1.26 -5.21 3.14 -1.26 -2.11 118.33 121.66 3n59 n VAL 105 Ca 0.09 0.22 0.13 0.00 -2.96 0.00 0.00 64.34 61.82 3n59 n VAL 105 Cb 0.50 -1.15 0.38 0.00 -1.06 0.00 0.00 33.84 32.51 3n59 n VAL 105 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3n59 n HIS 106 N -2.23 0.00 0.79 1.45 8.25 -1.26 -3.59 115.22 118.62 3n59 n HIS 106 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.60 3n59 n HIS 106 Cb 0.23 -0.10 0.16 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.50 2.45 -2.55 -1.41 0.00 -0.90 -4.96 120.51 112.64 3n59 n ALA 107 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3n59 n ALA 107 Cb 0.36 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.33 3.70 -1.71 0.00 1.74 -1.24 -5.09 116.66 115.40 3n59 n ARG 108 Ca 0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.86 3n59 n ARG 108 Cb 0.59 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.08 3n59 n ARG 108 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3n59 n GLU 109 N 0.00 1.31 -0.12 5.56 4.71 -1.26 -4.91 120.64 125.92 3n59 n GLU 109 Ca 0.00 0.49 0.07 0.00 -0.01 0.00 0.00 57.16 57.72 3n59 n GLU 109 Cb 0.00 -2.45 0.40 0.00 -1.01 0.00 0.00 31.44 28.37 3n59 n GLU 109 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3n59 h GLU 110 N 0.92 0.62 0.00 3.49 4.39 -1.96 -2.25 114.58 119.80 3n59 h GLU 110 Ca -0.50 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3n59 h GLU 110 Cb 1.33 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3n59 h GLU 110 CO 0.54 0.41 0.00 0.27 -1.16 0.00 0.00 179.01 179.08 3n59 h PHE 111 N 0.64 0.00 0.00 4.33 -5.15 -1.96 -1.17 116.94 113.63 3n59 h PHE 111 Ca 0.27 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.04 3n59 h PHE 111 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.42 3n59 h PHE 111 CO -0.00 0.00 -0.06 0.54 -2.00 0.00 0.00 178.31 176.79 3n59 n ARG 112 N -3.03 0.15 -0.04 6.09 1.74 -0.85 -3.65 116.66 117.07 3n59 n ARG 112 Ca -0.01 0.11 0.10 0.00 -0.77 0.00 0.00 57.85 57.28 3n59 n ARG 112 Cb 0.18 -1.66 0.47 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.91 1.40 -5.01 5.56 1.74 -0.44 -4.75 116.66 113.25 3n59 n ARG 113 Ca 0.06 -0.60 -0.32 0.00 -0.77 0.00 0.00 57.85 56.23 3n59 n ARG 113 Cb 0.39 -1.35 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 3n59 n ARG 113 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3n59 s HIS 114 N -1.89 2.54 -0.02 -1.55 2.46 -1.24 -5.07 115.29 110.52 3n59 s HIS 114 Ca 0.31 -0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.57 3n59 s HIS 114 Cb 0.16 -1.56 0.02 0.00 -0.13 0.00 0.00 32.58 31.07 3n59 s HIS 114 CO 0.25 0.12 0.01 0.45 -2.47 0.00 0.00 174.74 173.10 3n59 s SER 115 N -0.80 0.20 0.39 9.88 0.15 -1.26 -4.39 113.70 117.87 3n59 s SER 115 Ca 0.11 0.01 0.21 0.00 0.70 0.00 0.00 55.95 56.98 3n59 s SER 115 Cb -0.10 -0.12 0.56 0.00 -1.71 0.00 0.00 66.02 64.65 3n59 s SER 115 CO 0.01 -0.10 1.67 1.88 1.20 0.00 0.00 173.24 177.90 3n59 h TYR 116 N 7.13 0.00 0.15 3.44 0.05 -1.67 -3.33 116.97 122.73 3n59 h TYR 116 Ca -0.42 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.05 3n59 h TYR 116 Cb 1.14 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.88 3n59 h TYR 116 CO 0.50 0.27 -1.47 -0.07 -1.05 0.00 0.00 178.16 176.34 3n59 h LEU 117 N 0.00 0.51 -0.58 3.88 3.38 -1.90 -3.39 115.31 117.21 3n59 h LEU 117 Ca -0.00 -0.63 0.11 0.00 0.09 0.00 0.00 57.88 57.45 3n59 h LEU 117 Cb 0.99 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 3n59 h LEU 117 CO 0.04 1.51 0.07 0.28 0.09 0.00 0.00 178.44 180.43 3n59 h SER 118 N 0.09 -0.10 0.01 -0.43 0.02 -1.93 -1.32 113.55 109.89 3n59 h SER 118 Ca -0.23 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3n59 h SER 118 Cb 2.04 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.77 3n59 h SER 118 CO 0.20 -0.03 -0.01 -0.65 -1.14 0.00 0.00 176.83 175.20 3n59 h PRO 119 N 0.20 0.00 -0.01 3.45 0.11 -1.79 -2.83 132.00 131.12 3n59 h PRO 119 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3n59 h PRO 119 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3n59 h PRO 119 CO -0.43 0.01 -0.58 0.44 -0.21 0.00 0.00 178.00 177.23 3n59 n ILE 120 N -4.37 0.00 -2.25 4.15 -6.64 -0.74 -4.96 119.36 104.54 3n59 n ILE 120 Ca -0.03 -0.21 -0.31 0.00 -1.77 0.00 0.00 62.75 60.43 3n59 n ILE 120 Cb 0.09 1.16 -0.01 0.00 -1.44 0.00 0.00 39.64 39.44 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 -2.43 3.16 0.02 -1.28 0.00 -0.57 -4.92 121.76 115.74 3n59 s ALA 121 Ca 0.14 -0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 3n59 s ALA 121 Cb 0.16 -2.98 -0.18 0.00 0.00 0.00 0.00 23.12 20.12 3n59 s ALA 121 CO 0.60 -0.42 1.42 1.15 0.00 0.00 0.00 175.76 178.50 3n59 h THR 122 N 0.30 1.28 -3.31 0.00 2.02 -0.83 -3.48 112.91 108.87 3n59 h THR 122 Ca -0.46 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 3n59 h THR 122 Cb 1.19 1.78 -0.10 0.00 -1.74 0.00 0.00 68.15 69.28 3n59 h THR 122 CO 0.62 0.22 0.03 -0.83 0.37 0.00 0.00 175.52 175.94 3n59 s GLY 123 N -2.93 -0.03 -0.05 2.16 0.00 -1.19 -5.04 107.32 100.24 3n59 s GLY 123 Ca -0.15 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.31 3n59 s GLY 123 CO 0.68 -0.28 -0.13 0.14 0.00 0.00 0.00 173.10 173.51 3n59 s VAL 124 N -3.89 1.16 -0.15 1.40 1.01 -1.26 -1.16 120.40 117.51 3n59 s VAL 124 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3n59 s VAL 124 Cb -0.01 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 3n59 s VAL 124 CO -0.01 0.35 -0.15 -0.63 0.00 0.00 0.00 175.10 174.67 3n59 s ILE 125 N 0.41 2.72 -0.03 2.22 1.01 -0.27 -4.98 121.20 122.29 3n59 s ILE 125 Ca -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.82 3n59 s ILE 125 Cb -0.13 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3n59 s ILE 125 CO 0.03 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.69 3n59 s VAL 126 N 0.73 0.87 -0.24 2.92 1.01 -1.26 -1.42 120.40 123.01 3n59 s VAL 126 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3n59 s VAL 126 Cb -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.46 3n59 s VAL 126 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3n59 n GLY 127 N 3.21 0.51 1.70 4.51 0.00 -0.97 -4.81 105.19 109.34 3n59 n GLY 127 Ca -0.18 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.26 5.08 0.00 0.99 4.77 -1.24 -4.63 117.00 121.71 3n59 n LEU 128 Ca -0.02 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 3n59 n LEU 128 Cb 0.21 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3n59 n LEU 128 CO 0.03 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3n59 n GLY 129 N 0.70 0.69 0.28 -0.72 0.00 -0.71 -2.95 105.19 102.49 3n59 n GLY 129 Ca 0.25 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.60 3n59 n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3n59 h ILE 130 N 0.00 0.96 -0.20 -0.61 5.03 -1.94 -2.21 117.51 118.54 3n59 h ILE 130 Ca 0.00 -0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.79 3n59 h ILE 130 Cb 0.00 0.95 -0.01 0.00 -3.03 0.00 0.00 36.82 34.73 3n59 h ILE 130 CO 0.00 0.00 0.16 1.56 -0.68 0.00 0.00 178.15 179.19 3n59 h GLN 131 N 0.01 0.00 -1.00 2.37 1.08 -1.95 -1.64 115.11 113.99 3n59 h GLN 131 Ca 0.05 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.47 3n59 h GLN 131 Cb 0.17 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.50 3n59 h GLN 131 CO -0.00 0.00 0.63 0.78 -0.95 0.00 0.00 178.83 179.29 3n59 h GLY 132 N 0.00 1.37 0.78 3.46 0.00 -1.33 0.06 103.07 107.42 3n59 h GLY 132 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3n59 h GLY 132 CO -0.00 -0.10 0.01 -0.97 0.00 0.00 0.00 176.54 175.48 3n59 h TYR 133 N 0.52 0.22 -0.33 5.60 -1.99 -1.50 -2.41 116.97 117.08 3n59 h TYR 133 Ca 0.57 -0.03 -0.09 0.00 2.00 0.00 0.00 58.73 61.17 3n59 h TYR 133 Cb 1.23 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.89 3n59 h TYR 133 CO -0.00 0.42 -0.18 -0.07 -0.00 0.00 0.00 178.16 178.32 3n59 h LEU 134 N -0.04 0.60 -0.59 3.88 3.38 -1.38 -1.63 115.31 119.53 3n59 h LEU 134 Ca 0.04 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3n59 h LEU 134 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3n59 h LEU 134 CO 0.00 0.79 -0.44 -0.07 0.09 0.00 0.00 178.44 178.81 3n59 h LEU 135 N 0.54 0.67 -0.78 1.67 3.38 -1.06 -2.07 115.31 117.65 3n59 h LEU 135 Ca 0.09 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3n59 h LEU 135 Cb 0.62 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3n59 h LEU 135 CO 0.04 1.02 0.02 0.00 0.09 0.00 0.00 178.44 179.61 3n59 h ALA 136 N 1.01 0.98 -0.89 1.53 0.00 -1.15 -1.80 119.26 118.95 3n59 h ALA 136 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3n59 h ALA 136 Cb 0.97 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3n59 h ALA 136 CO 0.09 0.62 0.58 -0.07 0.00 0.00 0.00 179.25 180.47 3n59 h LEU 137 N 0.87 1.03 -0.59 0.00 3.38 -1.13 -2.62 115.31 116.24 3n59 h LEU 137 Ca 0.16 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 3n59 h LEU 137 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3n59 h LEU 137 CO 0.02 0.75 -0.18 -0.09 0.09 0.00 0.00 178.44 179.04 3n59 h ARG 138 N 1.21 0.93 -0.55 1.13 2.43 -1.09 -1.67 114.38 116.77 3n59 h ARG 138 Ca 0.32 -0.37 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3n59 h ARG 138 Cb -0.12 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.33 3n59 h ARG 138 CO -0.07 1.03 0.26 -0.92 -1.51 0.00 0.00 179.97 178.76 3n59 h TYR 139 N 0.81 0.47 0.00 2.20 3.20 -1.12 -2.51 116.97 120.03 3n59 h TYR 139 Ca 0.12 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.89 3n59 h TYR 139 Cb 0.73 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3n59 h TYR 139 CO 0.04 0.20 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.11 3n59 h LEU 140 N 0.49 0.00 -0.97 2.82 3.38 -1.30 -2.81 115.31 116.93 3n59 h LEU 140 Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3n59 h LEU 140 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3n59 h LEU 140 CO -0.20 0.58 -0.20 0.00 0.09 0.00 0.00 178.44 178.72 3n59 h ALA 141 N 1.42 1.13 -0.69 1.53 0.00 -0.94 -3.08 119.26 118.63 3n59 h ALA 141 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3n59 h ALA 141 Cb 1.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3n59 h ALA 141 CO 0.08 0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.26 3n59 n GLU 142 N -4.15 3.17 0.00 0.00 1.02 -0.98 -5.10 120.64 114.60 3n59 n GLU 142 Ca 0.00 -2.75 0.00 0.00 -0.02 0.00 0.00 57.16 54.39 3n59 n GLU 142 Cb 0.38 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03