#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 5.34 -0.12 1.96 1.01 -1.26 -0.44 121.20 127.69 3n59 s ILE 4 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.96 3n59 s ILE 4 Cb 0.00 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 3n59 s ILE 4 CO 0.00 0.35 -0.19 -0.69 0.00 0.00 0.00 174.94 174.41 3n59 s VAL 5 N 0.94 2.49 -0.20 2.92 1.01 0.49 -4.09 120.40 123.96 3n59 s VAL 5 Ca 0.10 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 3n59 s VAL 5 Cb -0.13 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3n59 s VAL 5 CO 0.04 0.54 0.44 0.20 0.00 0.00 0.00 175.10 176.31 3n59 s ASN 6 N 0.45 6.48 -0.30 3.32 0.01 -0.61 -0.89 114.94 123.40 3n59 s ASN 6 Ca -0.13 0.57 -0.08 0.00 -0.71 0.00 0.00 52.86 52.51 3n59 s ASN 6 Cb -0.17 -2.25 -0.00 0.00 0.41 0.00 0.00 41.25 39.24 3n59 s ASN 6 CO 0.06 -0.10 0.11 -0.69 -1.51 0.00 0.00 177.10 174.97 3n59 s VAL 7 N 1.38 4.30 -0.22 1.60 1.01 -0.02 -0.20 120.40 128.26 3n59 s VAL 7 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3n59 s VAL 7 Cb -0.15 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.07 3n59 s VAL 7 CO 0.09 0.09 -0.13 -0.63 0.00 0.00 0.00 175.10 174.52 3n59 s ILE 8 N 1.56 2.43 -0.16 2.22 1.01 0.12 -0.67 121.20 127.72 3n59 s ILE 8 Ca 0.04 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 3n59 s ILE 8 Cb -0.17 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 3n59 s ILE 8 CO 0.04 0.33 0.05 0.20 0.00 0.00 0.00 174.94 175.56 3n59 s ASN 9 N 1.28 5.53 0.00 3.58 0.01 0.10 -1.28 114.94 124.17 3n59 s ASN 9 Ca 0.01 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 3n59 s ASN 9 Cb -0.15 -1.87 0.00 0.00 0.41 0.00 0.00 41.25 39.63 3n59 s ASN 9 CO -0.08 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 3n59 n GLY 10 N 3.17 0.39 3.66 0.66 0.00 0.25 -2.04 105.19 111.29 3n59 n GLY 10 Ca -0.17 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 1.87 -0.16 1.61 -0.02 -1.12 -2.81 135.00 134.36 3n59 n PRO 11 Ca 0.00 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3n59 n PRO 11 Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.24 0.00 0.22 2.55 5.03 -1.26 -4.49 115.26 118.54 3n59 n ASN 12 Ca 0.08 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.67 3n59 n ASN 12 Cb 0.33 -0.32 0.37 0.00 -1.02 0.00 0.00 39.78 39.15 3n59 n ASN 12 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3n59 h LEU 13 N 0.00 0.00 -1.06 3.41 3.38 -1.88 -2.33 115.31 116.83 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 1.23 0.09 0.00 0.00 178.44 179.76 3n59 h GLY 14 N 3.38 0.00 -1.94 0.83 0.00 -1.89 -3.13 103.07 100.33 3n59 h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n59 h GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3n59 n ARG 15 N -2.56 2.52 -1.73 4.80 5.12 -0.88 -4.64 116.66 119.29 3n59 n ARG 15 Ca 0.01 -1.64 -0.42 0.00 -1.93 0.00 0.00 57.85 53.88 3n59 n ARG 15 Cb 0.24 -1.59 -0.02 0.00 -1.16 0.00 0.00 32.46 29.93 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 0.57 4.14 -3.41 0.55 4.77 -1.18 -3.29 117.00 119.15 3n59 n LEU 16 Ca 0.15 1.09 -0.17 0.00 -0.03 0.00 0.00 56.01 57.05 3n59 n LEU 16 Cb 0.54 -1.58 0.08 0.00 -2.33 0.00 0.00 43.42 40.13 3n59 n LEU 16 CO 0.13 0.18 0.08 0.61 -1.33 0.00 0.00 177.39 177.06 3n59 n GLY 17 N 3.31 -0.56 0.96 -0.72 0.00 -1.19 -4.03 105.19 102.95 3n59 n GLY 17 Ca 0.13 0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.39 3n59 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n59 n ARG 18 N -3.92 0.00 -0.16 1.61 1.74 -1.21 -4.73 116.66 109.99 3n59 n ARG 18 Ca -0.23 -1.39 -0.06 0.00 -0.77 0.00 0.00 57.85 55.39 3n59 n ARG 18 Cb 0.66 -0.22 -0.01 0.00 -1.02 0.00 0.00 32.46 31.87 3n59 n ARG 18 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3n59 n TYR 24 N 0.22 0.06 -3.09 -1.55 -0.00 -1.26 -5.11 117.16 106.43 3n59 n TYR 24 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 3n59 n TYR 24 Cb 0.89 -0.22 0.00 0.00 -0.00 0.00 0.00 39.34 40.01 3n59 n TYR 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3n59 n GLY 25 N 0.16 7.17 0.04 2.98 0.00 -1.26 -5.15 105.19 109.12 3n59 n GLY 25 Ca 0.02 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 4.23 -0.19 3.69 -0.02 0.00 -1.26 -4.30 105.19 107.34 3n59 n GLY 26 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.16 3.96 0.80 2.61 2.01 -1.26 -4.64 115.64 116.96 3n59 s THR 27 Ca -0.08 1.33 -0.10 0.00 0.31 0.00 0.00 61.69 63.15 3n59 s THR 27 Cb 0.02 -3.85 0.11 0.00 0.01 0.00 0.00 72.50 68.79 3n59 s THR 27 CO 0.22 0.00 1.13 0.42 -0.69 0.00 0.00 174.62 175.70 3n59 s THR 28 N 2.23 2.12 0.16 -0.82 -4.23 -1.26 -3.19 115.64 110.66 3n59 s THR 28 Ca 0.60 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 3n59 s THR 28 Cb -0.28 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.64 3n59 s THR 28 CO 0.25 0.00 1.60 -0.74 -0.54 0.00 0.00 174.62 175.19 3n59 h HIS 29 N -0.97 1.10 -0.62 3.99 6.17 -1.83 -1.91 115.15 121.08 3n59 h HIS 29 Ca -0.44 -0.21 0.01 0.00 0.71 0.00 0.00 60.37 60.44 3n59 h HIS 29 Cb 1.29 -0.28 -0.03 0.00 2.52 0.00 0.00 27.41 30.91 3n59 h HIS 29 CO -0.12 1.01 0.41 -0.44 0.71 0.00 0.00 177.93 179.50 3n59 h ASP 30 N 0.87 0.71 -0.46 3.26 3.32 -1.94 0.42 116.42 122.61 3n59 h ASP 30 Ca 0.15 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3n59 h ASP 30 Cb 0.61 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3n59 h ASP 30 CO 0.04 0.51 0.06 -0.33 -1.72 0.00 0.00 179.24 177.80 3n59 h GLU 31 N 0.84 0.83 -0.42 3.56 5.08 -1.92 -1.34 114.58 121.21 3n59 h GLU 31 Ca 0.23 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3n59 h GLU 31 Cb -0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3n59 h GLU 31 CO -0.05 0.80 0.17 1.25 -1.00 0.00 0.00 179.01 180.17 3n59 h LEU 32 N 0.79 0.58 -0.59 1.33 5.85 -0.88 -1.19 115.31 121.19 3n59 h LEU 32 Ca 0.16 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3n59 h LEU 32 Cb 0.39 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3n59 h LEU 32 CO 0.01 0.58 0.31 0.58 -0.34 0.00 0.00 178.44 179.58 3n59 h VAL 33 N 0.53 0.95 -0.50 1.05 2.07 -0.55 -1.17 116.25 118.63 3n59 h VAL 33 Ca 0.14 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3n59 h VAL 33 Cb 0.18 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3n59 h VAL 33 CO -0.01 0.11 -0.01 0.00 0.02 0.00 0.00 177.57 177.68 3n59 h ALA 34 N 1.32 1.05 -0.30 1.67 0.00 -1.05 -1.32 119.26 120.64 3n59 h ALA 34 Ca 0.27 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 34 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3n59 h ALA 34 CO -0.18 0.59 -0.14 -0.07 0.00 0.00 0.00 179.25 179.45 3n59 h LEU 35 N 0.78 0.64 -0.34 0.00 3.38 -0.85 -1.67 115.31 117.25 3n59 h LEU 35 Ca 0.15 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3n59 h LEU 35 Cb 0.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3n59 h LEU 35 CO 0.02 0.90 0.16 0.40 0.09 0.00 0.00 178.44 180.01 3n59 h ILE 36 N 0.37 1.17 -0.57 1.22 2.04 -1.11 -1.34 117.51 119.29 3n59 h ILE 36 Ca 0.07 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3n59 h ILE 36 Cb 0.66 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3n59 h ILE 36 CO 0.04 0.18 0.21 -0.33 0.00 0.00 0.00 178.15 178.25 3n59 h GLU 37 N 0.41 0.83 -0.23 2.37 5.08 -1.25 -0.90 114.58 120.89 3n59 h GLU 37 Ca 0.12 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3n59 h GLU 37 Cb 0.13 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3n59 h GLU 37 CO -0.01 0.69 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.40 3n59 h ARG 38 N 0.82 0.55 -0.62 2.33 2.43 -1.07 -2.39 114.38 116.42 3n59 h ARG 38 Ca 0.19 -0.28 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 3n59 h ARG 38 Cb 0.18 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3n59 h ARG 38 CO -0.02 0.86 0.02 1.49 -1.51 0.00 0.00 179.97 180.81 3n59 h GLU 39 N 0.24 1.08 -0.70 0.20 4.57 -1.13 -2.67 114.58 116.17 3n59 h GLU 39 Ca 0.04 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 3n59 h GLU 39 Cb 0.75 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 3n59 h GLU 39 CO 0.05 1.04 0.41 0.00 -1.18 0.00 0.00 179.01 179.34 3n59 h ALA 40 N 1.01 0.89 -0.89 2.92 0.00 -1.16 -1.90 119.26 120.13 3n59 h ALA 40 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3n59 h ALA 40 Cb 0.54 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3n59 h ALA 40 CO 0.03 0.37 0.50 0.00 0.00 0.00 0.00 179.25 180.15 3n59 h ALA 41 N 1.21 1.14 -0.20 0.00 0.00 -1.30 0.35 119.26 120.46 3n59 h ALA 41 Ca 0.25 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3n59 h ALA 41 Cb -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3n59 h ALA 41 CO -0.05 0.64 -0.24 0.93 0.00 0.00 0.00 179.25 180.53 3n59 h GLU 42 N 1.24 0.37 0.00 0.00 5.08 -1.17 -2.87 114.58 117.24 3n59 h GLU 42 Ca 0.32 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3n59 h GLU 42 Cb 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3n59 h GLU 42 CO -0.05 0.60 -0.21 1.28 -1.00 0.00 0.00 179.01 179.62 3n59 n LEU 43 N -4.14 0.24 0.00 1.33 4.77 -0.74 -4.93 117.00 113.53 3n59 n LEU 43 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3n59 n LEU 43 Cb 0.38 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3n59 n LEU 43 CO 0.41 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3n59 n GLY 44 N 1.49 0.50 3.73 -0.72 0.00 -0.50 -5.01 105.19 104.68 3n59 n GLY 44 Ca 0.06 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 3.33 -0.14 0.99 1.43 0.11 -4.47 118.68 119.92 3n59 s LEU 45 Ca 0.00 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 3n59 s LEU 45 Cb 0.00 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3n59 s LEU 45 CO 0.00 -0.19 -0.11 -0.75 0.23 0.00 0.00 176.35 175.53 3n59 s LYS 46 N -3.81 3.42 -0.13 1.70 2.20 0.41 -3.55 119.74 119.98 3n59 s LYS 46 Ca 0.36 -0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 55.29 3n59 s LYS 46 Cb -0.04 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 3n59 s LYS 46 CO 0.22 0.18 -0.08 0.00 -0.36 0.00 0.00 175.35 175.31 3n59 s ALA 47 N 0.46 2.83 -0.32 3.13 0.00 -1.26 -0.38 121.76 126.22 3n59 s ALA 47 Ca -0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 3n59 s ALA 47 Cb -0.15 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.64 3n59 s ALA 47 CO 0.04 0.27 0.07 0.08 0.00 0.00 0.00 175.76 176.22 3n59 s VAL 48 N 0.23 3.52 -0.22 0.00 1.01 -0.07 -4.90 120.40 119.98 3n59 s VAL 48 Ca -0.05 -1.19 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 3n59 s VAL 48 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3n59 s VAL 48 CO 0.04 -0.14 0.08 -0.69 0.00 0.00 0.00 175.10 174.39 3n59 s VAL 49 N 1.36 4.69 0.09 2.92 1.01 -1.26 -0.84 120.40 128.37 3n59 s VAL 49 Ca -0.03 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3n59 s VAL 49 Cb -0.19 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3n59 s VAL 49 CO 0.01 0.39 -0.14 -0.13 0.00 0.00 0.00 175.10 175.24 3n59 s ARG 50 N 0.95 0.89 -0.01 2.72 3.00 0.16 -4.99 118.95 121.66 3n59 s ARG 50 Ca 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 55.73 54.72 3n59 s ARG 50 Cb -0.14 -0.83 0.01 0.00 0.00 0.00 0.00 34.95 33.99 3n59 s ARG 50 CO 0.03 0.17 -0.01 -1.14 0.00 0.00 0.00 175.30 174.36 3n59 s GLN 51 N -2.12 0.17 -0.09 3.54 -0.44 -1.26 -0.72 119.66 118.74 3n59 s GLN 51 Ca 0.02 0.01 -0.17 0.00 -2.50 0.00 0.00 55.36 52.72 3n59 s GLN 51 Cb -0.08 -0.25 0.04 0.00 -1.64 0.00 0.00 33.01 31.08 3n59 s GLN 51 CO 0.02 -0.04 0.41 0.45 0.50 0.00 0.00 175.29 176.64 3n59 s SER 52 N 0.40 -0.37 0.00 6.67 0.15 -0.86 -5.00 113.70 114.69 3n59 s SER 52 Ca -0.04 0.54 0.27 0.00 0.70 0.00 0.00 55.95 57.43 3n59 s SER 52 Cb -0.06 0.61 0.95 0.00 -1.71 0.00 0.00 66.02 65.82 3n59 s SER 52 CO -0.01 -0.32 1.69 0.47 1.20 0.00 0.00 173.24 176.27 3n59 n ASP 53 N 2.02 0.95 -4.64 5.45 8.00 -1.26 -2.80 116.55 124.27 3n59 n ASP 53 Ca -0.17 -0.93 -0.39 0.00 0.71 0.00 0.00 54.79 54.01 3n59 n ASP 53 Cb 0.57 0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.39 6.38 0.15 -2.24 0.15 -1.26 -4.65 113.70 109.84 3n59 s SER 54 Ca 0.29 0.44 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 3n59 s SER 54 Cb 0.20 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.29 3n59 s SER 54 CO 0.47 -0.16 1.80 -0.08 1.20 0.00 0.00 173.24 176.46 3n59 h GLU 55 N 7.79 0.43 -0.71 5.44 4.81 -2.00 -2.27 114.58 128.07 3n59 h GLU 55 Ca -0.33 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 3n59 h GLU 55 Cb 1.16 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 3n59 h GLU 55 CO 0.69 0.28 0.38 0.00 -0.73 0.00 0.00 179.01 179.64 3n59 h ALA 56 N 1.16 0.96 -0.79 2.92 0.00 -1.99 -0.22 119.26 121.29 3n59 h ALA 56 Ca 0.14 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3n59 h ALA 56 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3n59 h ALA 56 CO -0.06 0.04 0.29 0.37 0.00 0.00 0.00 179.25 179.89 3n59 h GLN 57 N 0.69 1.19 -0.43 0.00 5.75 -1.93 -1.55 115.11 118.83 3n59 h GLN 57 Ca 0.33 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3n59 h GLN 57 Cb 0.25 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3n59 h GLN 57 CO -0.21 0.98 0.19 -0.07 -2.65 0.00 0.00 178.83 177.06 3n59 h LEU 58 N 1.16 0.59 -0.85 -2.39 3.38 -0.79 -2.37 115.31 114.03 3n59 h LEU 58 Ca 0.26 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3n59 h LEU 58 Cb 0.25 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3n59 h LEU 58 CO -0.02 0.58 0.54 -0.07 0.09 0.00 0.00 178.44 179.56 3n59 h LEU 59 N 0.56 0.87 -0.42 1.67 3.38 -0.77 -1.51 115.31 119.09 3n59 h LEU 59 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3n59 h LEU 59 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3n59 h LEU 59 CO -0.01 0.58 0.25 -0.78 0.09 0.00 0.00 178.44 178.57 3n59 h ASP 60 N 1.02 0.50 -0.07 -0.43 -0.00 -1.11 -0.87 116.42 115.46 3n59 h ASP 60 Ca 0.35 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.03 57.26 3n59 h ASP 60 Cb 0.08 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.27 3n59 h ASP 60 CO -0.14 0.41 -0.15 -0.50 -0.00 0.00 0.00 179.24 178.86 3n59 h TRP 61 N 0.55 0.44 -0.25 0.28 6.55 -0.99 -1.69 115.95 120.85 3n59 h TRP 61 Ca 0.15 -0.07 -0.07 0.00 0.95 0.00 0.00 58.89 59.86 3n59 h TRP 61 Cb -0.00 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.17 3n59 h TRP 61 CO -0.03 0.55 -0.11 0.82 -1.05 0.00 0.00 178.44 178.61 3n59 h ILE 62 N 0.38 1.30 -0.76 1.49 1.08 -1.02 -2.18 117.51 117.80 3n59 h ILE 62 Ca 0.07 -1.18 0.05 0.00 -0.39 0.00 0.00 64.86 63.41 3n59 h ILE 62 Cb 0.49 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.74 3n59 h ILE 62 CO 0.03 0.37 0.46 0.45 -0.69 0.00 0.00 178.15 178.77 3n59 h HIS 63 N 0.23 0.86 -0.72 1.37 3.86 -0.92 -0.03 115.15 119.80 3n59 h HIS 63 Ca 0.06 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 3n59 h HIS 63 Cb 0.61 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 3n59 h HIS 63 CO 0.06 0.45 0.23 1.96 0.86 0.00 0.00 177.93 181.49 3n59 h GLN 64 N 0.87 1.12 -0.12 2.45 4.20 -1.27 -1.32 115.11 121.03 3n59 h GLN 64 Ca 0.32 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 3n59 h GLN 64 Cb 0.11 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3n59 h GLN 64 CO -0.15 0.96 -0.33 0.00 -0.67 0.00 0.00 178.83 178.64 3n59 h ALA 65 N 1.11 1.22 -0.32 3.87 0.00 -0.87 -1.48 119.26 122.78 3n59 h ALA 65 Ca 0.23 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3n59 h ALA 65 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3n59 h ALA 65 CO -0.01 0.53 -0.05 0.00 0.00 0.00 0.00 179.25 179.72 3n59 h ALA 66 N 1.45 0.44 -0.15 0.00 0.00 -0.59 -0.01 119.26 120.39 3n59 h ALA 66 Ca 0.03 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3n59 h ALA 66 Cb 0.69 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3n59 h ALA 66 CO 0.05 0.25 -0.30 -0.44 0.00 0.00 0.00 179.25 178.82 3n59 h ASP 67 N 0.39 0.30 0.12 0.00 3.32 -1.08 -2.92 116.42 116.55 3n59 h ASP 67 Ca 0.08 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3n59 h ASP 67 Cb 0.53 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3n59 h ASP 67 CO 0.03 0.59 -0.24 0.00 -1.72 0.00 0.00 179.24 177.90 3n59 n ALA 68 N -2.48 3.04 -3.97 3.45 0.00 -0.57 -4.96 120.51 115.02 3n59 n ALA 68 Ca -0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 3n59 n ALA 68 Cb 0.40 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.24 -1.55 -2.77 0.00 0.00 -0.15 -4.98 120.51 110.83 3n59 n ALA 69 Ca 0.13 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 3n59 n ALA 69 Cb 0.39 -3.19 -0.06 0.00 0.00 0.00 0.00 19.45 16.59 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 -6.59 3.58 0.57 0.00 2.02 -0.45 -4.60 118.70 113.24 3n59 s GLU 70 Ca 0.44 0.00 -0.20 0.00 0.02 0.00 0.00 54.97 55.23 3n59 s GLU 70 Cb -0.23 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 3n59 s GLU 70 CO 0.87 0.73 1.26 -2.30 0.02 0.00 0.00 175.26 175.84 3n59 n PRO 71 N 1.75 1.41 -4.25 0.39 -0.02 -1.26 -4.67 135.00 128.36 3n59 n PRO 71 Ca -0.17 0.53 -0.27 0.00 -2.02 0.00 0.00 63.50 61.57 3n59 n PRO 71 Cb 0.54 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.38 3n59 n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3n59 s VAL 72 N -1.35 1.27 -0.38 -1.45 1.01 -0.79 -1.58 120.40 117.14 3n59 s VAL 72 Ca 0.75 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 3n59 s VAL 72 Cb -0.41 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3n59 s VAL 72 CO 0.47 0.40 0.27 -0.63 0.00 0.00 0.00 175.10 175.61 3n59 s ILE 73 N 1.21 5.27 -0.17 2.22 1.01 0.72 -0.77 121.20 130.69 3n59 s ILE 73 Ca -0.03 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3n59 s ILE 73 Cb -0.14 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.51 3n59 s ILE 73 CO -0.04 -0.16 -0.18 -0.22 0.00 0.00 0.00 174.94 174.34 3n59 s LEU 74 N 1.71 2.26 -0.43 2.97 2.96 0.18 -0.70 118.68 127.63 3n59 s LEU 74 Ca 0.06 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 3n59 s LEU 74 Cb -0.18 -1.51 0.12 0.00 0.50 0.00 0.00 46.19 45.12 3n59 s LEU 74 CO 0.10 0.04 0.21 0.21 -1.32 0.00 0.00 176.35 175.59 3n59 s ASN 75 N 1.07 5.13 0.00 3.68 3.84 -0.40 -0.90 114.94 127.36 3n59 s ASN 75 Ca -0.01 -2.20 0.30 0.00 0.21 0.00 0.00 52.86 51.17 3n59 s ASN 75 Cb -0.14 -1.79 1.54 0.00 -0.55 0.00 0.00 41.25 40.31 3n59 s ASN 75 CO -0.06 -0.48 2.02 0.00 -2.79 0.00 0.00 177.10 175.79 3n59 n ALA 76 N 4.33 2.65 -0.95 1.71 0.00 -1.26 0.88 120.51 127.87 3n59 n ALA 76 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3n59 n ALA 76 Cb 0.41 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.09 3.50 0.28 0.00 0.00 -1.26 -2.33 105.19 106.48 3n59 n GLY 77 Ca 0.21 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.73 103.07 100.37 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 1.41 0.00 0.00 0.00 176.54 177.95 3n59 h LEU 79 N 0.00 0.00 -0.87 3.11 3.38 -1.84 -2.97 115.31 116.12 3n59 h LEU 79 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 3n59 h LEU 79 Cb 0.45 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 3n59 h LEU 79 CO 0.00 0.00 0.45 0.74 0.09 0.00 0.00 178.44 179.73 3n59 h THR 80 N 0.00 0.72 -0.01 0.22 2.02 -1.61 -1.83 112.91 112.43 3n59 h THR 80 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3n59 h THR 80 Cb 0.38 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3n59 h THR 80 CO 0.00 0.12 -0.60 1.41 0.37 0.00 0.00 175.52 176.82 3n59 n HIS 81 N -4.86 0.00 0.00 3.16 8.25 -1.12 -1.54 115.22 119.11 3n59 n HIS 81 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3n59 n HIS 81 Cb 0.45 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.72 0.00 -3.33 1.59 -2.24 -1.09 -4.80 114.28 103.69 3n59 n THR 82 Ca 0.08 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.42 3n59 n THR 82 Cb 0.39 -0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.59 6.17 0.25 3.42 0.15 -0.71 -4.89 113.70 115.51 3n59 s SER 83 Ca 0.00 -1.06 0.08 0.00 0.70 0.00 0.00 55.95 55.67 3n59 s SER 83 Cb 0.00 -2.21 0.29 0.00 -1.71 0.00 0.00 66.02 62.38 3n59 s SER 83 CO 0.00 -0.66 1.57 0.58 1.20 0.00 0.00 173.24 175.93 3n59 h VAL 84 N 5.76 1.43 -0.70 4.45 2.07 -1.96 -3.10 116.25 124.20 3n59 h VAL 84 Ca -0.28 -2.13 -0.06 0.00 0.82 0.00 0.00 66.70 65.05 3n59 h VAL 84 Cb 1.11 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 3n59 h VAL 84 CO 0.86 0.62 0.19 0.00 0.02 0.00 0.00 177.57 179.26 3n59 h ALA 85 N 1.29 1.02 -0.22 1.67 0.00 -1.98 -0.66 119.26 120.38 3n59 h ALA 85 Ca -0.01 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 3n59 h ALA 85 Cb 1.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3n59 h ALA 85 CO 0.09 0.65 -0.52 1.25 0.00 0.00 0.00 179.25 180.72 3n59 h LEU 86 N 1.04 0.69 -0.45 0.00 5.85 -1.94 -2.20 115.31 118.31 3n59 h LEU 86 Ca 0.22 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3n59 h LEU 86 Cb 0.33 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3n59 h LEU 86 CO -0.00 1.08 0.28 -0.09 -0.34 0.00 0.00 178.44 179.37 3n59 h ARG 87 N 0.49 0.60 -0.71 1.25 2.43 -1.42 -1.60 114.38 115.42 3n59 h ARG 87 Ca 0.02 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3n59 h ARG 87 Cb 1.07 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 3n59 h ARG 87 CO 0.10 0.42 0.22 -0.44 -1.51 0.00 0.00 179.97 178.76 3n59 h ASP 88 N 0.60 1.02 -0.40 -3.80 3.32 -1.03 -1.19 116.42 114.95 3n59 h ASP 88 Ca 0.16 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3n59 h ASP 88 Cb -0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3n59 h ASP 88 CO -0.03 0.95 0.13 0.00 -1.72 0.00 0.00 179.24 178.57 3n59 h ALA 89 N 1.19 0.52 0.00 3.45 0.00 -1.26 -2.81 119.26 120.35 3n59 h ALA 89 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3n59 h ALA 89 Cb 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3n59 h ALA 89 CO -0.01 0.15 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 3n59 h ALA 91 N 1.95 1.00 0.00 0.00 0.00 -0.95 -2.68 119.26 118.58 3n59 h ALA 91 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3n59 h ALA 91 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3n59 h ALA 91 CO 0.01 0.00 -0.60 0.93 0.00 0.00 0.00 179.25 179.59 3n59 h GLU 92 N 0.00 0.00 -6.57 0.00 5.08 -1.54 -3.46 114.58 108.09 3n59 h GLU 92 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3n59 h GLU 92 Cb 0.43 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.74 3n59 h GLU 92 CO 0.00 0.60 0.86 1.28 -1.00 0.00 0.00 179.01 180.75 3n59 n LEU 93 N -3.53 3.42 -0.07 1.33 4.77 -1.01 -4.90 117.00 117.01 3n59 n LEU 93 Ca -0.00 1.08 -0.05 0.00 -0.03 0.00 0.00 56.01 57.01 3n59 n LEU 93 Cb 0.67 -1.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.12 3n59 n LEU 93 CO 0.41 -0.13 -0.99 -1.54 -1.33 0.00 0.00 177.39 173.81 3n59 n SER 94 N 3.49 0.10 -4.87 -1.43 3.41 -1.26 -4.95 113.62 108.10 3n59 n SER 94 Ca 0.16 0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 3n59 n SER 94 Cb 0.31 1.11 -0.00 0.00 -0.26 0.00 0.00 64.21 65.37 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 -2.75 3.18 0.36 7.33 0.00 -1.26 -5.01 121.76 123.62 3n59 s ALA 95 Ca -0.09 -0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.47 3n59 s ALA 95 Cb 0.08 -2.96 -0.12 0.00 0.00 0.00 0.00 23.12 20.13 3n59 s ALA 95 CO 0.85 -0.47 1.29 -2.30 0.00 0.00 0.00 175.76 175.12 3n59 n PRO 96 N -2.28 2.09 -4.61 0.00 -0.02 -1.26 -4.75 135.00 124.17 3n59 n PRO 96 Ca 0.05 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 3n59 n PRO 96 Cb 0.54 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.21 2.48 -0.17 2.45 2.96 -1.26 -1.88 118.68 122.05 3n59 s LEU 97 Ca 0.57 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 3n59 s LEU 97 Cb -0.55 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 44.59 3n59 s LEU 97 CO 0.61 0.10 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.95 3n59 s ILE 98 N 0.72 2.53 -0.12 6.68 1.01 0.05 -0.07 121.20 132.00 3n59 s ILE 98 Ca -0.07 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 3n59 s ILE 98 Cb -0.16 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3n59 s ILE 98 CO 0.01 0.51 0.59 -0.70 0.00 0.00 0.00 174.94 175.35 3n59 s GLU 99 N 0.99 4.34 -0.03 2.79 2.12 -0.31 -0.64 118.70 127.96 3n59 s GLU 99 Ca -0.02 0.63 0.07 0.00 0.36 0.00 0.00 54.97 56.01 3n59 s GLU 99 Cb -0.15 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3n59 s GLU 99 CO -0.03 0.03 -0.25 0.08 -0.54 0.00 0.00 175.26 174.55 3n59 s VAL 100 N 0.98 2.13 -0.04 3.70 1.01 -0.08 -0.38 120.40 127.72 3n59 s VAL 100 Ca 0.30 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3n59 s VAL 100 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3n59 s VAL 100 CO 0.13 0.58 -0.12 -1.00 0.00 0.00 0.00 175.10 174.69 3n59 s HIS 101 N -0.47 1.27 0.00 5.22 3.76 -0.20 -4.24 115.29 120.64 3n59 s HIS 101 Ca 0.06 -0.38 -0.25 0.00 -0.15 0.00 0.00 55.06 54.34 3n59 s HIS 101 Cb -0.11 -0.90 -0.19 0.00 1.11 0.00 0.00 32.58 32.48 3n59 s HIS 101 CO 0.01 -0.16 1.37 0.82 -0.85 0.00 0.00 174.74 175.93 3n59 h ILE 102 N 5.53 1.30 -3.44 0.60 2.04 -1.87 -2.41 117.51 119.27 3n59 h ILE 102 Ca -0.33 -0.89 -0.49 0.00 1.00 0.00 0.00 64.86 64.15 3n59 h ILE 102 Cb 1.17 1.90 0.02 0.00 -0.74 0.00 0.00 36.82 39.18 3n59 h ILE 102 CO 0.48 0.23 0.04 -0.94 0.00 0.00 0.00 178.15 177.96 3n59 s SER 103 N -5.58 6.33 -0.58 1.72 1.04 -1.26 -1.79 113.70 113.57 3n59 s SER 103 Ca -0.15 0.87 -0.27 0.00 0.48 0.00 0.00 55.95 56.88 3n59 s SER 103 Cb 0.03 -2.22 -0.01 0.00 0.10 0.00 0.00 66.02 63.92 3n59 s SER 103 CO 0.67 -0.47 1.68 0.21 0.98 0.00 0.00 173.24 176.31 3n59 s ASN 104 N -3.84 5.66 0.21 7.02 3.84 -1.26 -2.57 114.94 124.00 3n59 s ASN 104 Ca 0.47 0.35 0.19 0.00 0.21 0.00 0.00 52.86 54.07 3n59 s ASN 104 Cb -0.10 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 38.93 3n59 s ASN 104 CO 0.40 -2.07 1.58 0.55 -2.79 0.00 0.00 177.10 174.76 3n59 n VAL 105 N 7.05 1.05 1.08 -5.21 3.14 -1.26 -1.96 118.33 122.22 3n59 n VAL 105 Ca 0.17 0.41 0.12 0.00 -2.96 0.00 0.00 64.34 62.08 3n59 n VAL 105 Cb 0.50 -1.35 0.11 0.00 -1.06 0.00 0.00 33.84 32.05 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 -2.05 0.00 -0.41 1.45 8.25 -1.26 -3.96 115.22 117.25 3n59 n HIS 106 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 3n59 n HIS 106 Cb 0.14 -0.05 0.33 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.40 2.50 -3.00 -1.41 0.00 -0.83 -4.94 120.51 112.43 3n59 n ALA 107 Ca 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.19 3n59 n ALA 107 Cb 0.41 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.59 3.72 -1.65 0.00 1.74 -1.25 -5.10 116.66 115.71 3n59 n ARG 108 Ca 0.25 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.97 3n59 n ARG 108 Cb 0.67 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.19 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 1.90 2.43 0.48 5.56 8.01 -1.26 -4.92 118.70 130.89 3n59 s GLU 109 Ca 0.00 1.93 0.21 0.00 0.01 0.00 0.00 54.97 57.12 3n59 s GLU 109 Cb 0.00 -1.85 1.20 0.00 -4.31 0.00 0.00 34.13 29.18 3n59 s GLU 109 CO 0.00 -1.66 2.01 0.93 0.01 0.00 0.00 175.26 176.55 3n59 h GLU 110 N 0.25 0.00 0.00 1.61 4.39 -1.96 -2.59 114.58 116.28 3n59 h GLU 110 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3n59 h GLU 110 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3n59 h GLU 110 CO 0.52 0.17 0.00 0.27 -1.16 0.00 0.00 179.01 178.81 3n59 h PHE 111 N 0.00 0.00 0.00 4.33 -5.15 -1.96 -2.54 116.94 111.62 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 0.38 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.55 3n59 h PHE 111 CO 0.00 0.00 -0.32 0.54 -2.00 0.00 0.00 178.31 176.53 3n59 n ARG 112 N -2.34 0.16 -0.05 6.09 1.74 -0.98 -3.86 116.66 117.43 3n59 n ARG 112 Ca 0.03 0.08 0.09 0.00 -0.77 0.00 0.00 57.85 57.27 3n59 n ARG 112 Cb 0.29 -1.63 0.39 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.88 1.37 -5.27 5.56 1.74 -0.96 -4.73 116.66 112.49 3n59 n ARG 113 Ca 0.05 -0.56 -0.31 0.00 -0.77 0.00 0.00 57.85 56.26 3n59 n ARG 113 Cb 0.39 -1.30 -0.16 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.87 2.38 -0.03 -1.55 2.46 -1.25 -5.08 115.29 110.35 3n59 s HIS 114 Ca 0.27 -0.61 0.02 0.00 0.47 0.00 0.00 55.06 55.21 3n59 s HIS 114 Cb 0.13 -1.55 0.01 0.00 -0.13 0.00 0.00 32.58 31.04 3n59 s HIS 114 CO 0.21 -0.15 -0.08 0.45 -2.47 0.00 0.00 174.74 172.70 3n59 s SER 115 N -0.34 1.19 0.41 9.88 0.15 -1.26 -4.36 113.70 119.37 3n59 s SER 115 Ca 0.02 -0.18 0.22 0.00 0.70 0.00 0.00 55.95 56.71 3n59 s SER 115 Cb -0.12 -0.39 0.49 0.00 -1.71 0.00 0.00 66.02 64.29 3n59 s SER 115 CO 0.02 0.04 1.65 1.88 1.20 0.00 0.00 173.24 178.02 3n59 h TYR 116 N 6.58 0.00 0.07 3.44 0.05 -1.59 -3.35 116.97 122.18 3n59 h TYR 116 Ca -0.34 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.15 3n59 h TYR 116 Cb 1.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 3n59 h TYR 116 CO 0.46 0.18 -1.54 -0.07 -1.05 0.00 0.00 178.16 176.13 3n59 h LEU 117 N 0.00 0.24 -0.52 3.88 3.38 -1.90 -3.40 115.31 116.99 3n59 h LEU 117 Ca -0.00 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.69 3n59 h LEU 117 Cb 1.01 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 3n59 h LEU 117 CO 0.02 1.31 0.10 0.28 0.09 0.00 0.00 178.44 180.25 3n59 h SER 118 N 0.04 -0.00 -0.21 -0.43 0.02 -1.93 -1.29 113.55 109.76 3n59 h SER 118 Ca -0.24 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3n59 h SER 118 Cb 1.98 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.64 3n59 h SER 118 CO 0.13 0.02 0.14 -0.65 -1.14 0.00 0.00 176.83 175.33 3n59 h PRO 119 N 0.24 0.26 -0.02 3.45 0.11 -1.79 -2.73 132.00 131.52 3n59 h PRO 119 Ca 0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3n59 h PRO 119 Cb 0.36 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3n59 h PRO 119 CO -0.34 0.17 -0.37 0.44 -0.21 0.00 0.00 178.00 177.68 3n59 n ILE 120 N -4.51 0.00 -2.17 4.15 -6.64 -0.95 -4.95 119.36 104.29 3n59 n ILE 120 Ca 0.00 -0.31 -0.32 0.00 -1.77 0.00 0.00 62.75 60.35 3n59 n ILE 120 Cb 0.09 1.30 -0.01 0.00 -1.44 0.00 0.00 39.64 39.58 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 -2.33 3.02 -0.04 -1.28 0.00 -0.53 -4.90 121.76 115.70 3n59 s ALA 121 Ca 0.20 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.02 3n59 s ALA 121 Cb 0.18 -3.12 -0.21 0.00 0.00 0.00 0.00 23.12 19.97 3n59 s ALA 121 CO 0.50 -0.47 1.18 1.15 0.00 0.00 0.00 175.76 178.12 3n59 h THR 122 N 0.44 1.40 -4.02 0.00 2.02 -0.78 -3.48 112.91 108.48 3n59 h THR 122 Ca -0.46 -1.30 -0.13 0.00 0.77 0.00 0.00 66.41 65.30 3n59 h THR 122 Cb 1.19 2.27 -0.13 0.00 -1.74 0.00 0.00 68.15 69.75 3n59 h THR 122 CO 0.61 0.33 -0.39 -0.83 0.37 0.00 0.00 175.52 175.61 3n59 s GLY 123 N -3.32 0.66 -0.06 2.16 0.00 -1.12 -5.04 107.32 100.60 3n59 s GLY 123 Ca -0.16 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.50 3n59 s GLY 123 CO 0.66 -0.96 -0.04 0.14 0.00 0.00 0.00 173.10 172.90 3n59 s VAL 124 N -4.00 0.59 -0.18 1.40 1.01 -1.26 -1.16 120.40 116.80 3n59 s VAL 124 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 3n59 s VAL 124 Cb 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 3n59 s VAL 124 CO 0.02 0.25 -0.08 -0.63 0.00 0.00 0.00 175.10 174.66 3n59 s ILE 125 N 1.18 3.25 -0.02 2.22 1.01 0.49 -4.97 121.20 124.36 3n59 s ILE 125 Ca -0.07 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3n59 s ILE 125 Cb -0.14 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.91 3n59 s ILE 125 CO -0.01 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.63 3n59 s VAL 126 N 0.91 0.69 0.00 2.92 1.01 -1.26 -1.03 120.40 123.64 3n59 s VAL 126 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3n59 s VAL 126 Cb -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.62 3n59 s VAL 126 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3n59 n GLY 127 N 3.21 0.65 1.40 4.51 0.00 -0.91 -4.81 105.19 109.24 3n59 n GLY 127 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 4.08 0.00 0.99 4.77 -1.24 -4.57 117.00 121.03 3n59 n LEU 128 Ca 0.00 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 3n59 n LEU 128 Cb 0.03 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3n59 n LEU 128 CO 0.00 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3n59 n GLY 129 N 0.52 0.70 0.26 -0.72 0.00 -0.74 -3.30 105.19 101.91 3n59 n GLY 129 Ca 0.19 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.63 3n59 n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n59 h ILE 130 N 0.00 0.23 0.00 -0.61 2.10 -1.94 -2.54 117.51 114.76 3n59 h ILE 130 Ca 0.00 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.25 3n59 h ILE 130 Cb 0.00 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 3n59 h ILE 130 CO 0.00 0.08 0.00 -0.61 -1.08 0.00 0.00 178.15 176.54 3n59 h GLN 131 N 0.00 0.00 -0.94 2.19 4.15 -1.97 -2.78 115.11 115.76 3n59 h GLN 131 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 3n59 h GLN 131 Cb 0.55 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.17 3n59 h GLN 131 CO 0.01 0.00 0.60 0.78 -1.93 0.00 0.00 178.83 178.29 3n59 h GLY 132 N 1.99 1.37 0.99 2.39 0.00 -1.49 -0.56 103.07 107.75 3n59 h GLY 132 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3n59 h GLY 132 CO 0.00 0.08 0.17 -0.97 0.00 0.00 0.00 176.54 175.81 3n59 h TYR 133 N 0.76 0.88 -0.07 5.60 -1.99 -1.72 -2.27 116.97 118.16 3n59 h TYR 133 Ca 0.48 -0.09 -0.17 0.00 2.00 0.00 0.00 58.73 60.94 3n59 h TYR 133 Cb 0.72 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 3n59 h TYR 133 CO -0.00 0.75 -0.70 -0.07 -0.00 0.00 0.00 178.16 178.13 3n59 h LEU 134 N 0.76 0.42 -0.60 3.88 3.38 -1.41 -1.72 115.31 120.02 3n59 h LEU 134 Ca 0.17 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 3n59 h LEU 134 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3n59 h LEU 134 CO -0.00 0.99 -0.50 -0.07 0.09 0.00 0.00 178.44 178.95 3n59 h LEU 135 N 0.25 0.57 -0.76 1.67 3.38 -1.17 -2.16 115.31 117.08 3n59 h LEU 135 Ca -0.02 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3n59 h LEU 135 Cb 1.27 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3n59 h LEU 135 CO 0.12 0.97 0.29 0.00 0.09 0.00 0.00 178.44 179.91 3n59 h ALA 136 N 1.04 0.99 -0.76 1.53 0.00 -1.24 -2.02 119.26 118.80 3n59 h ALA 136 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3n59 h ALA 136 Cb 1.02 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3n59 h ALA 136 CO 0.09 0.63 0.46 -0.07 0.00 0.00 0.00 179.25 180.36 3n59 h LEU 137 N 1.11 0.92 -0.81 0.00 3.38 -1.14 -2.54 115.31 116.23 3n59 h LEU 137 Ca 0.25 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 3n59 h LEU 137 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3n59 h LEU 137 CO -0.02 0.71 -0.24 -0.09 0.09 0.00 0.00 178.44 178.90 3n59 h ARG 138 N 1.04 0.63 -0.38 1.13 2.43 -1.16 -1.79 114.38 116.29 3n59 h ARG 138 Ca 0.27 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3n59 h ARG 138 Cb -0.04 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3n59 h ARG 138 CO -0.05 0.82 0.25 -0.92 -1.51 0.00 0.00 179.97 178.55 3n59 h TYR 139 N 0.55 0.47 -0.03 2.20 3.20 -1.18 -2.30 116.97 119.89 3n59 h TYR 139 Ca 0.08 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 3n59 h TYR 139 Cb 0.70 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3n59 h TYR 139 CO 0.03 0.30 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.36 3n59 h LEU 140 N 0.51 0.06 -0.83 2.82 3.38 -1.23 -2.17 115.31 117.85 3n59 h LEU 140 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3n59 h LEU 140 Cb -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3n59 h LEU 140 CO -0.03 0.48 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3n59 h ALA 141 N 1.53 1.00 -0.33 1.53 0.00 -1.17 -3.05 119.26 118.77 3n59 h ALA 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n59 h ALA 141 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3n59 h ALA 141 CO 0.06 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.40 3n59 n GLU 142 N -3.03 2.43 0.00 0.00 2.13 -0.84 -5.09 120.64 116.24 3n59 n GLU 142 Ca 0.02 -2.15 0.00 0.00 0.66 0.00 0.00 57.16 55.69 3n59 n GLU 142 Cb 0.39 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.60 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44