#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 5.44 -0.08 1.96 1.01 -1.26 -2.58 121.20 125.68 3n59 s ILE 4 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.97 3n59 s ILE 4 Cb 0.00 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 39.03 3n59 s ILE 4 CO 0.00 0.59 -0.17 -0.69 0.00 0.00 0.00 174.94 174.67 3n59 s VAL 5 N -0.84 1.50 -0.29 2.92 1.01 0.35 -4.10 120.40 120.95 3n59 s VAL 5 Ca 0.15 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3n59 s VAL 5 Cb -0.12 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3n59 s VAL 5 CO 0.04 0.44 0.22 0.20 0.00 0.00 0.00 175.10 176.00 3n59 s ASN 6 N 0.60 6.05 -0.45 3.32 0.01 -0.63 -0.70 114.94 123.14 3n59 s ASN 6 Ca -0.15 -0.04 -0.10 0.00 -0.71 0.00 0.00 52.86 51.86 3n59 s ASN 6 Cb -0.16 -2.13 0.09 0.00 0.41 0.00 0.00 41.25 39.46 3n59 s ASN 6 CO 0.05 -0.09 0.32 -0.69 -1.51 0.00 0.00 177.10 175.18 3n59 s VAL 7 N 1.79 4.42 -0.24 1.60 1.01 0.06 -0.07 120.40 128.97 3n59 s VAL 7 Ca 0.08 -1.48 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 3n59 s VAL 7 Cb -0.16 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 3n59 s VAL 7 CO 0.11 -0.63 0.02 -0.63 0.00 0.00 0.00 175.10 173.97 3n59 s ILE 8 N 1.45 3.81 -0.08 2.22 1.01 0.66 -1.05 121.20 129.22 3n59 s ILE 8 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3n59 s ILE 8 Cb -0.25 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 3n59 s ILE 8 CO 0.02 0.34 -0.02 0.20 0.00 0.00 0.00 174.94 175.48 3n59 s ASN 9 N 1.53 5.05 0.00 3.58 0.01 -0.08 -1.52 114.94 123.52 3n59 s ASN 9 Ca 0.06 0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 3n59 s ASN 9 Cb -0.15 -1.39 0.00 0.00 0.41 0.00 0.00 41.25 40.12 3n59 s ASN 9 CO 0.00 0.37 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 3n59 n GLY 10 N 2.22 1.17 3.75 0.66 0.00 0.15 -2.18 105.19 110.95 3n59 n GLY 10 Ca -0.18 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 3n59 n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3n59 n PRO 11 N -0.01 2.62 -0.16 1.61 -0.04 -1.08 -2.85 135.00 135.07 3n59 n PRO 11 Ca 0.00 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 3n59 n PRO 11 Cb 0.00 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 3n59 n PRO 11 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3n59 n ASN 12 N 1.18 0.00 0.20 3.54 3.02 -1.26 -4.46 115.26 117.48 3n59 n ASN 12 Ca 0.05 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.68 3n59 n ASN 12 Cb 0.38 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.80 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 -0.01 3.41 -0.00 -1.90 -2.78 115.31 114.03 3n59 h LEU 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3n59 h LEU 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3n59 h LEU 13 CO 0.00 0.24 0.00 0.61 -0.00 0.00 0.00 178.44 179.29 3n59 n GLY 14 N 0.77 -1.09 0.40 0.83 0.00 -1.26 -2.70 105.19 102.15 3n59 n GLY 14 Ca 0.02 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.51 1.15 -1.58 1.61 5.12 -1.05 -4.74 116.66 115.66 3n59 n ARG 15 Ca 0.04 -0.81 -0.49 0.00 -1.93 0.00 0.00 57.85 54.67 3n59 n ARG 15 Cb 0.20 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 29.97 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 -0.22 1.48 0.00 0.55 4.77 -1.10 -2.73 117.00 119.75 3n59 n LEU 16 Ca 0.12 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 3n59 n LEU 16 Cb 0.40 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 3n59 n LEU 16 CO 0.25 -1.32 0.00 0.61 -1.33 0.00 0.00 177.39 175.59 3n59 n GLY 17 N 2.00 2.46 3.22 -0.72 0.00 -1.16 -3.91 105.19 107.09 3n59 n GLY 17 Ca 0.15 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3n59 n GLY 17 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3n59 s ARG 18 N 0.00 3.73 0.00 1.61 1.70 -1.11 -4.49 118.95 120.40 3n59 s ARG 18 Ca 0.00 -3.23 0.00 0.00 -0.47 0.00 0.00 55.73 52.03 3n59 s ARG 18 Cb 0.00 -4.26 0.00 0.00 -0.57 0.00 0.00 34.95 30.12 3n59 s ARG 18 CO 0.00 -1.25 0.00 0.28 -1.08 0.00 0.00 175.30 173.25 3n59 n VAL 23 N 2.55 0.00 -2.22 4.99 0.31 -1.26 -4.87 118.33 117.83 3n59 n VAL 23 Ca 0.22 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.20 3n59 n VAL 23 Cb 0.38 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.32 3n59 n VAL 23 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3n59 s TYR 24 N 0.00 2.65 0.00 3.52 6.04 -1.26 -5.05 117.35 123.25 3n59 s TYR 24 Ca 0.00 1.54 0.00 0.00 0.04 0.00 0.00 57.07 58.65 3n59 s TYR 24 Cb 0.00 -3.30 0.00 0.00 -1.04 0.00 0.00 41.96 37.62 3n59 s TYR 24 CO 0.00 -1.62 0.00 0.41 -1.54 0.00 0.00 175.55 172.80 3n59 n GLY 25 N 0.15 -1.91 0.00 8.97 0.00 -1.26 -5.04 105.19 106.10 3n59 n GLY 25 Ca 0.12 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 3.39 0.00 3.73 -0.02 0.00 -1.26 -4.47 105.19 106.56 3n59 n GLY 26 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.67 4.19 0.67 2.61 2.01 -1.26 -4.59 115.64 117.60 3n59 s THR 27 Ca 0.00 1.86 -0.08 0.00 0.31 0.00 0.00 61.69 63.78 3n59 s THR 27 Cb 0.00 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.35 3n59 s THR 27 CO 0.00 0.31 1.01 0.42 -0.69 0.00 0.00 174.62 175.67 3n59 s THR 28 N -0.14 3.13 0.29 -0.82 -4.23 -1.26 -2.97 115.64 109.63 3n59 s THR 28 Ca 0.48 0.09 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 3n59 s THR 28 Cb -0.26 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.34 3n59 s THR 28 CO 0.32 -0.36 1.74 -0.74 -0.54 0.00 0.00 174.62 175.04 3n59 h HIS 29 N -0.51 0.54 -0.69 3.99 6.17 -1.83 0.98 115.15 123.80 3n59 h HIS 29 Ca -0.45 -0.11 -0.02 0.00 0.71 0.00 0.00 60.37 60.50 3n59 h HIS 29 Cb 1.28 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 31.04 3n59 h HIS 29 CO 0.43 0.67 0.36 -0.44 0.71 0.00 0.00 177.93 179.66 3n59 h ASP 30 N 0.43 0.89 0.37 3.26 3.32 -1.94 -0.79 116.42 121.96 3n59 h ASP 30 Ca 0.07 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 3n59 h ASP 30 Cb 0.63 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3n59 h ASP 30 CO 0.04 0.75 -0.56 -0.33 -1.72 0.00 0.00 179.24 177.43 3n59 h GLU 31 N 0.96 0.20 -0.69 3.56 5.08 -1.88 -2.90 114.58 118.91 3n59 h GLU 31 Ca 0.24 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3n59 h GLU 31 Cb 0.08 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3n59 h GLU 31 CO -0.03 0.70 0.16 1.25 -1.00 0.00 0.00 179.01 180.09 3n59 h LEU 32 N 0.15 1.05 -0.69 1.33 5.85 -0.39 -1.48 115.31 121.12 3n59 h LEU 32 Ca -0.00 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 3n59 h LEU 32 Cb 1.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3n59 h LEU 32 CO 0.08 1.01 0.32 0.58 -0.34 0.00 0.00 178.44 180.09 3n59 h VAL 33 N 1.04 1.23 -0.62 1.05 2.07 -1.10 -2.22 116.25 117.71 3n59 h VAL 33 Ca 0.22 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 3n59 h VAL 33 Cb 0.38 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3n59 h VAL 33 CO 0.00 0.28 0.15 0.00 0.02 0.00 0.00 177.57 178.03 3n59 h ALA 34 N 1.15 0.81 -0.31 1.67 0.00 -1.29 -1.67 119.26 119.62 3n59 h ALA 34 Ca 0.24 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 34 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3n59 h ALA 34 CO -0.03 0.52 -0.23 -0.07 0.00 0.00 0.00 179.25 179.45 3n59 h LEU 35 N 0.90 0.60 -0.08 0.00 3.38 -1.15 -2.01 115.31 116.94 3n59 h LEU 35 Ca 0.19 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3n59 h LEU 35 Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3n59 h LEU 35 CO 0.00 0.82 -0.11 0.40 0.09 0.00 0.00 178.44 179.64 3n59 h ILE 36 N 0.52 1.38 -0.19 1.22 2.04 -1.26 -2.39 117.51 118.83 3n59 h ILE 36 Ca 0.08 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 3n59 h ILE 36 Cb 0.68 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 3n59 h ILE 36 CO 0.05 0.37 -0.17 -0.33 0.00 0.00 0.00 178.15 178.07 3n59 h GLU 37 N -0.22 0.32 -0.30 2.37 5.08 -1.29 0.14 114.58 120.68 3n59 h GLU 37 Ca 0.01 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.10 3n59 h GLU 37 Cb 0.64 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3n59 h GLU 37 CO 0.03 0.49 -0.52 -0.09 -1.00 0.00 0.00 179.01 177.92 3n59 h ARG 38 N 0.29 0.89 -0.35 2.33 1.12 -1.41 -2.41 114.38 114.84 3n59 h ARG 38 Ca 0.05 -0.55 -0.16 0.00 -1.11 0.00 0.00 59.98 58.22 3n59 h ARG 38 Cb 0.48 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 3n59 h ARG 38 CO 0.03 1.19 -0.41 1.49 -3.11 0.00 0.00 179.97 179.15 3n59 h GLU 39 N 0.68 0.87 -0.28 0.20 4.57 -1.00 -2.78 114.58 116.85 3n59 h GLU 39 Ca 0.02 -0.47 -0.08 0.00 -1.18 0.00 0.00 59.36 57.65 3n59 h GLU 39 Cb 1.13 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 3n59 h GLU 39 CO 0.12 1.11 -0.19 0.00 -1.18 0.00 0.00 179.01 178.88 3n59 h ALA 40 N 0.82 1.17 -0.52 2.92 0.00 -0.77 -2.96 119.26 119.92 3n59 h ALA 40 Ca 0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3n59 h ALA 40 Cb 1.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3n59 h ALA 40 CO 0.10 0.53 -0.15 0.00 0.00 0.00 0.00 179.25 179.73 3n59 h ALA 41 N 1.36 0.71 0.00 0.00 0.00 -1.37 0.30 119.26 120.26 3n59 h ALA 41 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3n59 h ALA 41 Cb 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3n59 h ALA 41 CO 0.04 0.66 -0.01 0.93 0.00 0.00 0.00 179.25 180.87 3n59 h GLU 42 N 0.88 0.00 -0.01 0.00 5.08 -1.35 -2.90 114.58 116.29 3n59 h GLU 42 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3n59 h GLU 42 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3n59 h GLU 42 CO 0.06 0.01 -0.20 1.28 -1.00 0.00 0.00 179.01 179.16 3n59 n LEU 43 N -3.14 1.62 -0.88 1.33 4.77 -1.07 -5.01 117.00 114.62 3n59 n LEU 43 Ca -0.01 -0.83 -0.03 0.00 -0.03 0.00 0.00 56.01 55.11 3n59 n LEU 43 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3n59 n LEU 43 CO 0.24 0.31 0.03 0.61 -1.33 0.00 0.00 177.39 177.25 3n59 n GLY 44 N 0.96 0.71 3.24 -0.72 0.00 -0.55 -5.03 105.19 103.80 3n59 n GLY 44 Ca 0.06 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.79 2.32 -0.33 0.99 1.43 0.94 -4.75 118.68 117.49 3n59 s LEU 45 Ca 0.07 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 3n59 s LEU 45 Cb -0.03 -0.68 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 3n59 s LEU 45 CO 0.09 -0.04 0.19 -0.75 0.23 0.00 0.00 176.35 176.08 3n59 s LYS 46 N -2.03 3.26 -0.32 1.70 2.20 -1.06 -3.85 119.74 119.64 3n59 s LYS 46 Ca 0.04 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.77 3n59 s LYS 46 Cb -0.09 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 3n59 s LYS 46 CO 0.03 -0.49 0.16 0.00 -0.36 0.00 0.00 175.35 174.69 3n59 s ALA 47 N 1.63 3.27 -0.43 3.13 0.00 -1.26 -0.50 121.76 127.60 3n59 s ALA 47 Ca 0.04 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.35 3n59 s ALA 47 Cb -0.18 -2.41 0.02 0.00 0.00 0.00 0.00 23.12 20.55 3n59 s ALA 47 CO 0.08 -1.00 0.53 0.08 0.00 0.00 0.00 175.76 175.44 3n59 s VAL 48 N 1.59 4.96 -0.23 0.00 1.01 0.12 -4.83 120.40 123.03 3n59 s VAL 48 Ca 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 3n59 s VAL 48 Cb -0.18 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 3n59 s VAL 48 CO 0.06 -0.50 0.14 -0.69 0.00 0.00 0.00 175.10 174.11 3n59 s VAL 49 N 2.46 5.18 0.01 2.92 1.01 -1.26 -0.76 120.40 129.96 3n59 s VAL 49 Ca 0.17 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3n59 s VAL 49 Cb -0.16 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3n59 s VAL 49 CO 0.16 0.37 -0.03 -0.13 0.00 0.00 0.00 175.10 175.47 3n59 s ARG 50 N 0.96 0.22 0.02 2.72 0.52 -0.22 -4.99 118.95 118.19 3n59 s ARG 50 Ca 0.07 -0.25 0.04 0.00 -0.52 0.00 0.00 55.73 55.07 3n59 s ARG 50 Cb -0.13 -0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.22 3n59 s ARG 50 CO 0.03 0.02 -0.11 -1.14 0.02 0.00 0.00 175.30 174.12 3n59 s GLN 51 N -0.49 0.82 -0.10 3.54 -0.44 -1.26 -0.90 119.66 120.83 3n59 s GLN 51 Ca -0.04 -0.56 -0.24 0.00 -2.50 0.00 0.00 55.36 52.03 3n59 s GLN 51 Cb -0.04 -0.78 0.06 0.00 -1.64 0.00 0.00 33.01 30.60 3n59 s GLN 51 CO -0.00 0.20 0.57 0.45 0.50 0.00 0.00 175.29 177.01 3n59 s SER 52 N -0.74 -0.54 0.00 6.67 0.15 -0.93 -4.99 113.70 113.32 3n59 s SER 52 Ca 0.01 0.75 0.26 0.00 0.70 0.00 0.00 55.95 57.67 3n59 s SER 52 Cb -0.06 0.73 0.60 0.00 -1.71 0.00 0.00 66.02 65.58 3n59 s SER 52 CO 0.00 -0.43 1.47 0.47 1.20 0.00 0.00 173.24 175.96 3n59 n ASP 53 N 1.66 0.72 -4.66 5.45 9.92 -1.26 -2.65 116.55 125.72 3n59 n ASP 53 Ca -0.18 -0.52 -0.38 0.00 -0.53 0.00 0.00 54.79 53.18 3n59 n ASP 53 Cb 0.56 0.21 -0.07 0.00 -0.64 0.00 0.00 41.12 41.18 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 -2.80 6.46 0.21 -2.24 0.15 -1.26 -4.66 113.70 109.56 3n59 s SER 54 Ca 0.16 0.54 -0.10 0.00 0.70 0.00 0.00 55.95 57.26 3n59 s SER 54 Cb 0.18 -2.25 0.18 0.00 -1.71 0.00 0.00 66.02 62.42 3n59 s SER 54 CO 0.63 -0.11 1.86 -0.08 1.20 0.00 0.00 173.24 176.74 3n59 h GLU 55 N 7.44 0.87 -0.53 5.44 4.81 -1.99 -2.25 114.58 128.37 3n59 h GLU 55 Ca -0.35 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 3n59 h GLU 55 Cb 1.16 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 3n59 h GLU 55 CO 0.72 0.58 0.28 0.00 -0.73 0.00 0.00 179.01 179.86 3n59 h ALA 56 N 1.29 1.51 -0.14 2.92 0.00 -1.99 0.55 119.26 123.40 3n59 h ALA 56 Ca 0.28 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3n59 h ALA 56 Cb -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3n59 h ALA 56 CO -0.09 0.41 -0.14 0.37 0.00 0.00 0.00 179.25 179.79 3n59 h GLN 57 N 0.73 0.34 -0.91 0.00 5.75 -1.91 -2.51 115.11 116.60 3n59 h GLN 57 Ca 0.19 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3n59 h GLN 57 Cb 0.03 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 3n59 h GLN 57 CO -0.03 0.73 0.60 -0.07 -2.65 0.00 0.00 178.83 177.42 3n59 h LEU 58 N -0.04 1.03 -0.51 -2.39 3.38 -0.99 -2.01 115.31 113.78 3n59 h LEU 58 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n59 h LEU 58 Cb 0.67 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3n59 h LEU 58 CO 0.04 0.74 0.32 -0.07 0.09 0.00 0.00 178.44 179.55 3n59 h LEU 59 N 1.21 0.60 -0.84 1.67 3.38 -0.88 -2.46 115.31 117.99 3n59 h LEU 59 Ca 0.34 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3n59 h LEU 59 Cb -0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3n59 h LEU 59 CO -0.08 0.46 0.23 -0.78 0.09 0.00 0.00 178.44 178.36 3n59 h ASP 60 N 0.69 1.01 -0.74 -0.43 3.58 -0.97 -1.88 116.42 117.68 3n59 h ASP 60 Ca 0.19 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 3n59 h ASP 60 Cb -0.04 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 3n59 h ASP 60 CO -0.04 0.94 0.28 -0.50 -2.88 0.00 0.00 179.24 177.03 3n59 h TRP 61 N 1.04 1.15 -0.52 0.28 6.55 -1.22 -2.03 115.95 121.21 3n59 h TRP 61 Ca 0.23 -0.09 -0.09 0.00 0.95 0.00 0.00 58.89 59.89 3n59 h TRP 61 Cb 0.28 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 28.22 3n59 h TRP 61 CO 0.02 0.88 -0.05 0.82 -1.05 0.00 0.00 178.44 179.07 3n59 h ILE 62 N 1.09 1.26 -0.58 1.49 1.08 -1.15 -1.91 117.51 118.80 3n59 h ILE 62 Ca 0.25 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3n59 h ILE 62 Cb 0.24 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 3n59 h ILE 62 CO -0.02 0.40 0.34 0.45 -0.69 0.00 0.00 178.15 178.64 3n59 h HIS 63 N 0.83 0.77 -0.34 1.37 3.86 -1.05 -0.30 115.15 120.28 3n59 h HIS 63 Ca 0.15 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 3n59 h HIS 63 Cb 0.56 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3n59 h HIS 63 CO 0.03 0.53 -0.15 1.96 0.86 0.00 0.00 177.93 181.16 3n59 h GLN 64 N 0.78 0.62 -0.00 2.45 4.20 -1.23 0.22 115.11 122.14 3n59 h GLN 64 Ca 0.21 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 3n59 h GLN 64 Cb -0.01 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3n59 h GLN 64 CO -0.04 0.75 -0.53 0.00 -0.67 0.00 0.00 178.83 178.34 3n59 h ALA 65 N 1.27 1.11 -0.08 3.87 0.00 -1.07 -1.59 119.26 122.76 3n59 h ALA 65 Ca 0.09 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 3n59 h ALA 65 Cb 0.59 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3n59 h ALA 65 CO 0.04 0.67 -0.63 0.00 0.00 0.00 0.00 179.25 179.32 3n59 h ALA 66 N 1.46 0.19 -0.21 0.00 0.00 -0.56 0.92 119.26 121.06 3n59 h ALA 66 Ca -0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 3n59 h ALA 66 Cb 0.95 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3n59 h ALA 66 CO 0.07 0.47 -0.26 -0.44 0.00 0.00 0.00 179.25 179.09 3n59 h ASP 67 N 0.19 0.40 -0.24 0.00 3.32 -0.91 -2.79 116.42 116.38 3n59 h ASP 67 Ca -0.06 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3n59 h ASP 67 Cb 1.29 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3n59 h ASP 67 CO 0.13 0.65 0.00 0.00 -1.72 0.00 0.00 179.24 178.30 3n59 n ALA 68 N -2.48 2.47 -3.96 3.45 0.00 -0.61 -4.98 120.51 114.40 3n59 n ALA 68 Ca -0.01 -0.76 -0.29 0.00 0.00 0.00 0.00 53.44 52.38 3n59 n ALA 68 Cb 0.39 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 0.99 -2.18 -2.57 0.00 0.00 -0.65 -4.98 120.51 111.11 3n59 n ALA 69 Ca 0.18 -0.32 -0.33 0.00 0.00 0.00 0.00 53.44 52.97 3n59 n ALA 69 Cb 0.49 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.81 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 -6.64 2.57 0.68 0.00 2.02 0.23 -4.65 118.70 112.91 3n59 s GLU 70 Ca 0.15 -0.69 -0.17 0.00 0.02 0.00 0.00 54.97 54.28 3n59 s GLU 70 Cb -0.06 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.68 3n59 s GLU 70 CO 0.91 0.62 1.26 -2.14 0.02 0.00 0.00 175.26 175.92 3n59 s PRO 71 N -1.20 2.41 -0.07 0.39 0.02 -1.26 -4.67 135.00 130.62 3n59 s PRO 71 Ca 0.15 1.95 -0.01 0.00 0.02 0.00 0.00 61.00 63.12 3n59 s PRO 71 Cb -0.11 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.59 3n59 s PRO 71 CO 0.05 -1.68 -0.03 0.08 -0.33 0.00 0.00 177.00 175.10 3n59 s VAL 72 N -1.61 0.57 -0.22 3.83 1.01 -0.97 -1.61 120.40 121.39 3n59 s VAL 72 Ca 0.79 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 3n59 s VAL 72 Cb -0.34 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3n59 s VAL 72 CO 0.41 0.28 0.47 -0.63 0.00 0.00 0.00 175.10 175.63 3n59 s ILE 73 N 1.64 5.13 -0.14 2.22 1.09 0.90 -0.74 121.20 131.29 3n59 s ILE 73 Ca 0.01 0.83 0.00 0.00 -1.10 0.00 0.00 60.65 60.39 3n59 s ILE 73 Cb -0.13 -3.79 0.02 0.00 -1.06 0.00 0.00 42.46 37.50 3n59 s ILE 73 CO -0.04 0.17 -0.14 -0.22 -0.10 0.00 0.00 174.94 174.61 3n59 s LEU 74 N 1.78 1.64 -0.48 2.97 2.96 -0.36 -0.24 118.68 126.95 3n59 s LEU 74 Ca 0.21 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3n59 s LEU 74 Cb -0.15 -1.14 0.13 0.00 0.50 0.00 0.00 46.19 45.52 3n59 s LEU 74 CO 0.09 -0.06 0.27 0.21 -1.32 0.00 0.00 176.35 175.54 3n59 s ASN 75 N 1.49 5.10 0.00 3.68 3.84 -0.57 -0.75 114.94 127.72 3n59 s ASN 75 Ca 0.05 -2.41 0.29 0.00 0.21 0.00 0.00 52.86 51.00 3n59 s ASN 75 Cb -0.13 -1.79 1.40 0.00 -0.55 0.00 0.00 41.25 40.18 3n59 s ASN 75 CO -0.10 -0.44 1.99 0.00 -2.79 0.00 0.00 177.10 175.76 3n59 n ALA 76 N 4.05 2.40 -0.71 1.71 0.00 -1.26 0.29 120.51 126.99 3n59 n ALA 76 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3n59 n ALA 76 Cb 0.39 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.27 2.62 0.20 0.00 0.00 -1.26 -2.55 105.19 105.47 3n59 n GLY 77 Ca 0.12 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.94 103.07 100.16 3n59 h GLY 78 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3n59 h GLY 78 CO 0.00 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.92 3n59 h LEU 79 N 0.00 0.00 -0.93 3.11 3.38 -1.87 -3.15 115.31 115.85 3n59 h LEU 79 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3n59 h LEU 79 Cb 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 3n59 h LEU 79 CO 0.00 0.03 0.55 0.74 0.09 0.00 0.00 178.44 179.85 3n59 h THR 80 N 0.00 0.82 -0.01 0.22 2.02 -1.67 -0.32 112.91 113.96 3n59 h THR 80 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3n59 h THR 80 Cb 0.61 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3n59 h THR 80 CO 0.00 0.15 -0.28 1.41 0.37 0.00 0.00 175.52 177.17 3n59 n HIS 81 N -4.74 0.00 0.00 3.16 8.25 -1.19 -1.36 115.22 119.34 3n59 n HIS 81 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 3n59 n HIS 81 Cb 0.41 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.12 0.00 -3.42 1.59 -2.24 -0.91 -4.81 114.28 104.36 3n59 n THR 82 Ca 0.12 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 3n59 n THR 82 Cb 0.42 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.18 6.14 0.14 3.42 0.15 -0.18 -4.88 113.70 116.31 3n59 s SER 83 Ca 0.00 -0.81 0.07 0.00 0.70 0.00 0.00 55.95 55.91 3n59 s SER 83 Cb 0.00 -2.18 -0.12 0.00 -1.71 0.00 0.00 66.02 62.01 3n59 s SER 83 CO 0.00 -0.48 1.33 0.58 1.20 0.00 0.00 173.24 175.87 3n59 h VAL 84 N 5.65 1.67 -0.50 4.45 2.07 -1.96 -3.11 116.25 124.52 3n59 h VAL 84 Ca -0.27 -3.20 0.01 0.00 0.82 0.00 0.00 66.70 64.06 3n59 h VAL 84 Cb 1.12 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.60 3n59 h VAL 84 CO 0.75 0.91 0.32 0.00 0.02 0.00 0.00 177.57 179.57 3n59 h ALA 85 N 1.04 0.63 -0.53 1.67 0.00 -1.98 0.18 119.26 120.27 3n59 h ALA 85 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3n59 h ALA 85 Cb 1.67 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 3n59 h ALA 85 CO 0.12 0.06 -0.13 1.25 0.00 0.00 0.00 179.25 180.55 3n59 h LEU 86 N 0.66 1.03 -0.07 0.00 5.85 -1.95 -2.40 115.31 118.43 3n59 h LEU 86 Ca 0.19 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3n59 h LEU 86 Cb -0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3n59 h LEU 86 CO -0.05 1.15 -0.05 -0.09 -0.34 0.00 0.00 178.44 179.06 3n59 h ARG 87 N 0.89 -0.05 -0.35 1.25 2.43 -1.42 -1.26 114.38 115.87 3n59 h ARG 87 Ca 0.13 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3n59 h ARG 87 Cb 0.70 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3n59 h ARG 87 CO 0.05 -0.03 0.17 -0.44 -1.51 0.00 0.00 179.97 178.21 3n59 h ASP 88 N -0.05 0.43 -0.28 -3.80 3.32 -0.88 -1.30 116.42 113.87 3n59 h ASP 88 Ca 0.04 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 3n59 h ASP 88 Cb 0.12 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3n59 h ASP 88 CO -0.10 0.37 -0.29 0.00 -1.72 0.00 0.00 179.24 177.49 3n59 h ALA 89 N 1.70 0.41 0.00 3.45 0.00 -1.20 -3.09 119.26 120.53 3n59 h ALA 89 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3n59 h ALA 89 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3n59 h ALA 89 CO -0.02 0.43 -0.04 0.00 0.00 0.00 0.00 179.25 179.62 3n59 h ALA 91 N 1.96 1.18 0.00 0.00 0.00 -1.17 -2.83 119.26 118.40 3n59 h ALA 91 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3n59 h ALA 91 Cb 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3n59 h ALA 91 CO 0.00 0.27 -0.13 0.93 0.00 0.00 0.00 179.25 180.33 3n59 h GLU 92 N 0.00 0.00 -6.77 0.00 5.08 -1.55 -3.46 114.58 107.89 3n59 h GLU 92 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3n59 h GLU 92 Cb 0.58 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.89 3n59 h GLU 92 CO 0.03 0.13 0.81 -0.51 -1.00 0.00 0.00 179.01 178.47 3n59 s LEU 93 N -6.65 4.37 -0.18 1.33 1.43 -1.07 -4.92 118.68 112.99 3n59 s LEU 93 Ca 0.00 2.78 -0.03 0.00 -1.03 0.00 0.00 54.13 55.84 3n59 s LEU 93 Cb 0.10 -3.63 -0.22 0.00 0.03 0.00 0.00 46.19 42.48 3n59 s LEU 93 CO 0.59 -0.79 0.10 -1.20 0.23 0.00 0.00 176.35 175.29 3n59 n SER 94 N 2.28 2.06 -4.83 2.29 7.64 -1.26 -4.97 113.62 116.83 3n59 n SER 94 Ca 0.07 0.07 -0.33 0.00 1.01 0.00 0.00 58.87 59.70 3n59 n SER 94 Cb 0.39 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 3n59 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3n59 s ALA 95 N -2.54 2.97 0.12 -0.43 0.00 -1.26 -4.97 121.76 115.65 3n59 s ALA 95 Ca -0.28 0.30 -0.35 0.00 0.00 0.00 0.00 51.96 51.63 3n59 s ALA 95 Cb 0.08 -3.16 -0.16 0.00 0.00 0.00 0.00 23.12 19.87 3n59 s ALA 95 CO 0.69 -0.32 1.29 -0.35 0.00 0.00 0.00 175.76 177.08 3n59 n PRO 96 N -1.49 1.21 -4.18 0.00 -0.04 -1.26 -4.75 135.00 124.50 3n59 n PRO 96 Ca 0.07 0.44 -0.34 0.00 -0.04 0.00 0.00 63.50 63.63 3n59 n PRO 96 Cb 0.54 -2.04 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 3n59 n PRO 96 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3n59 s LEU 97 N 0.55 2.90 -0.18 1.53 2.96 -1.26 -2.29 118.68 122.90 3n59 s LEU 97 Ca 0.80 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 3n59 s LEU 97 Cb -0.90 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.10 3n59 s LEU 97 CO 0.48 0.05 -0.17 -0.51 -1.32 0.00 0.00 176.35 174.88 3n59 s ILE 98 N 1.05 1.91 0.20 6.68 2.07 0.08 0.32 121.20 133.51 3n59 s ILE 98 Ca 0.00 -0.93 -0.27 0.00 -1.41 0.00 0.00 60.65 58.04 3n59 s ILE 98 Cb -0.15 -1.79 -0.08 0.00 0.13 0.00 0.00 42.46 40.57 3n59 s ILE 98 CO -0.00 0.44 0.85 -0.70 -1.91 0.00 0.00 174.94 173.62 3n59 s GLU 99 N 1.33 4.70 -0.02 3.50 2.12 0.24 -1.22 118.70 129.36 3n59 s GLU 99 Ca 0.03 1.31 0.03 0.00 0.36 0.00 0.00 54.97 56.70 3n59 s GLU 99 Cb -0.14 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 3n59 s GLU 99 CO -0.11 0.54 -0.10 0.08 -0.54 0.00 0.00 175.26 175.13 3n59 s VAL 100 N -1.18 0.80 -0.04 3.70 1.01 0.07 -0.31 120.40 124.44 3n59 s VAL 100 Ca 0.38 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3n59 s VAL 100 Cb -0.24 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.47 3n59 s VAL 100 CO 0.29 0.24 -0.03 -1.00 0.00 0.00 0.00 175.10 174.59 3n59 s HIS 101 N 0.00 0.67 0.18 5.22 3.76 -0.26 -4.24 115.29 120.63 3n59 s HIS 101 Ca -0.00 -0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.66 3n59 s HIS 101 Cb -0.07 -0.64 0.07 0.00 1.11 0.00 0.00 32.58 33.06 3n59 s HIS 101 CO 0.00 -0.20 1.59 -0.84 -0.85 0.00 0.00 174.74 174.45 3n59 h ILE 102 N 6.18 1.27 -2.68 0.60 3.07 -1.87 -2.38 117.51 121.69 3n59 h ILE 102 Ca -0.37 -1.33 -0.51 0.00 1.55 0.00 0.00 64.86 64.21 3n59 h ILE 102 Cb 1.15 1.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 3n59 h ILE 102 CO 0.45 0.46 -0.34 -0.94 -1.05 0.00 0.00 178.15 176.73 3n59 s SER 103 N -6.71 6.35 -0.71 2.16 1.04 -1.26 -1.95 113.70 112.62 3n59 s SER 103 Ca -0.11 0.32 -0.26 0.00 0.48 0.00 0.00 55.95 56.39 3n59 s SER 103 Cb 0.13 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 3n59 s SER 103 CO 0.86 -0.08 1.86 0.21 0.98 0.00 0.00 173.24 177.06 3n59 s ASN 104 N -3.48 5.29 0.41 7.02 3.84 -1.26 -2.79 114.94 123.97 3n59 s ASN 104 Ca 0.37 -0.03 0.12 0.00 0.21 0.00 0.00 52.86 53.53 3n59 s ASN 104 Cb -0.10 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 39.02 3n59 s ASN 104 CO 0.30 -2.45 1.96 0.58 -2.79 0.00 0.00 177.10 174.70 3n59 h VAL 105 N 6.96 0.89 -0.00 -5.21 2.07 -1.92 -2.10 116.25 116.94 3n59 h VAL 105 Ca -0.14 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3n59 h VAL 105 Cb 1.11 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3n59 h VAL 105 CO 1.22 0.09 -0.09 1.41 0.02 0.00 0.00 177.57 180.23 3n59 n HIS 106 N -4.48 0.00 0.57 1.57 8.25 -1.26 -3.22 115.22 116.65 3n59 n HIS 106 Ca 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.69 3n59 n HIS 106 Cb 0.38 -0.20 0.22 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.03 2.44 -2.63 -1.41 0.00 -0.79 -4.94 120.51 112.16 3n59 n ALA 107 Ca 0.15 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3n59 n ALA 107 Cb 0.27 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.30 1.83 -2.33 0.00 1.74 -1.20 -5.10 116.66 112.89 3n59 n ARG 108 Ca 0.18 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 3n59 n ARG 108 Cb 0.57 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.99 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 4.61 3.62 0.25 5.56 8.01 -1.26 -4.97 118.70 134.51 3n59 s GLU 109 Ca 0.00 1.26 -0.05 0.00 0.01 0.00 0.00 54.97 56.19 3n59 s GLU 109 Cb 0.00 -2.07 0.31 0.00 -4.31 0.00 0.00 34.13 28.06 3n59 s GLU 109 CO 0.00 -0.57 1.88 1.49 0.01 0.00 0.00 175.26 178.08 3n59 h GLU 110 N 1.06 1.10 0.00 1.61 4.57 -1.96 -2.71 114.58 118.24 3n59 h GLU 110 Ca -0.48 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3n59 h GLU 110 Cb 1.22 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3n59 h GLU 110 CO 0.59 0.73 0.00 0.27 -1.18 0.00 0.00 179.01 179.41 3n59 h PHE 111 N 1.13 0.00 0.00 0.92 -5.15 -1.97 -1.58 116.94 110.30 3n59 h PHE 111 Ca 0.37 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.14 3n59 h PHE 111 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.22 3n59 h PHE 111 CO -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 178.31 176.28 3n59 h ARG 112 N 0.00 0.00 0.00 6.09 3.08 -1.79 -3.28 114.38 118.48 3n59 h ARG 112 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3n59 h ARG 112 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3n59 h ARG 112 CO 0.00 0.01 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 3n59 n ARG 113 N -3.10 0.35 -4.43 0.04 1.74 -0.59 -4.65 116.66 106.02 3n59 n ARG 113 Ca 0.03 0.08 -0.33 0.00 -0.77 0.00 0.00 57.85 56.86 3n59 n ARG 113 Cb 0.48 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.49 2.98 -0.01 -1.55 2.46 -1.24 -5.05 115.29 110.39 3n59 s HIS 114 Ca 0.21 0.03 -0.00 0.00 0.47 0.00 0.00 55.06 55.77 3n59 s HIS 114 Cb 0.14 -1.66 0.02 0.00 -0.13 0.00 0.00 32.58 30.95 3n59 s HIS 114 CO 0.31 0.40 0.02 0.45 -2.47 0.00 0.00 174.74 173.45 3n59 s SER 115 N -1.31 0.04 0.45 9.88 0.15 -1.26 -4.41 113.70 117.23 3n59 s SER 115 Ca 0.17 0.02 0.24 0.00 0.70 0.00 0.00 55.95 57.09 3n59 s SER 115 Cb -0.11 -0.04 0.49 0.00 -1.71 0.00 0.00 66.02 64.65 3n59 s SER 115 CO 0.07 -0.07 1.66 1.88 1.20 0.00 0.00 173.24 177.98 3n59 h TYR 116 N 6.80 0.00 0.09 3.44 0.05 -1.53 -3.35 116.97 122.46 3n59 h TYR 116 Ca -0.36 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.12 3n59 h TYR 116 Cb 1.16 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 3n59 h TYR 116 CO 0.47 0.00 -1.52 -0.07 -1.05 0.00 0.00 178.16 175.98 3n59 h LEU 117 N 0.00 0.29 -0.54 3.88 3.38 -1.90 -3.40 115.31 117.02 3n59 h LEU 117 Ca 0.00 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.59 3n59 h LEU 117 Cb 0.93 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3n59 h LEU 117 CO 0.00 1.35 0.30 0.28 0.09 0.00 0.00 178.44 180.46 3n59 h SER 118 N 0.05 0.47 -0.06 -0.43 0.02 -1.93 -1.52 113.55 110.14 3n59 h SER 118 Ca -0.23 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3n59 h SER 118 Cb 1.99 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.44 3n59 h SER 118 CO 0.14 0.33 0.05 -0.65 -1.14 0.00 0.00 176.83 175.56 3n59 h PRO 119 N 0.59 0.00 0.00 3.45 0.11 -1.80 -2.76 132.00 131.60 3n59 h PRO 119 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3n59 h PRO 119 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3n59 h PRO 119 CO -0.12 0.00 -0.86 0.44 -0.21 0.00 0.00 178.00 177.24 3n59 n ILE 120 N -4.33 0.00 -2.04 4.15 -5.35 -1.10 -4.97 119.36 105.72 3n59 n ILE 120 Ca -0.02 -0.16 -0.33 0.00 -0.27 0.00 0.00 62.75 61.98 3n59 n ILE 120 Cb 0.15 0.89 0.01 0.00 -1.74 0.00 0.00 39.64 38.95 3n59 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n59 s ALA 121 N -2.56 2.73 0.04 -1.28 0.00 -0.59 -4.92 121.76 115.17 3n59 s ALA 121 Ca 0.04 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.21 3n59 s ALA 121 Cb 0.12 -3.24 -0.15 0.00 0.00 0.00 0.00 23.12 19.85 3n59 s ALA 121 CO 0.64 -0.83 1.32 1.15 0.00 0.00 0.00 175.76 178.04 3n59 h THR 122 N 0.43 1.36 -3.84 0.00 2.02 -0.43 -3.48 112.91 108.97 3n59 h THR 122 Ca -0.47 -1.40 -0.10 0.00 0.77 0.00 0.00 66.41 65.22 3n59 h THR 122 Cb 1.22 1.95 -0.12 0.00 -1.74 0.00 0.00 68.15 69.46 3n59 h THR 122 CO 0.57 0.41 -0.28 -0.83 0.37 0.00 0.00 175.52 175.76 3n59 s GLY 123 N -3.51 0.47 -0.04 2.16 0.00 -1.06 -5.02 107.32 100.32 3n59 s GLY 123 Ca -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3n59 s GLY 123 CO 0.76 -0.79 -0.00 0.14 0.00 0.00 0.00 173.10 173.21 3n59 s VAL 124 N -3.97 0.25 -0.15 1.40 1.01 -1.26 -0.59 120.40 117.09 3n59 s VAL 124 Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3n59 s VAL 124 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 3n59 s VAL 124 CO 0.01 0.17 -0.14 -0.63 0.00 0.00 0.00 175.10 174.51 3n59 s ILE 125 N 1.15 2.82 -0.02 2.22 1.01 0.58 -4.96 121.20 124.00 3n59 s ILE 125 Ca -0.08 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.86 3n59 s ILE 125 Cb -0.13 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.15 3n59 s ILE 125 CO -0.02 0.52 -0.05 -0.69 0.00 0.00 0.00 174.94 174.70 3n59 s VAL 126 N 0.64 0.46 0.00 2.92 1.01 -1.26 -1.10 120.40 123.07 3n59 s VAL 126 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3n59 s VAL 126 Cb -0.16 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3n59 s VAL 126 CO 0.03 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3n59 n GLY 127 N 3.42 0.68 1.70 4.51 0.00 -0.89 -4.83 105.19 109.77 3n59 n GLY 127 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 5.06 0.00 0.99 4.77 -1.25 -4.61 117.00 121.96 3n59 n LEU 128 Ca 0.00 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 3n59 n LEU 128 Cb 0.02 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3n59 n LEU 128 CO 0.00 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3n59 n GLY 129 N 0.20 1.91 0.24 -0.72 0.00 -0.82 -3.26 105.19 102.75 3n59 n GLY 129 Ca 0.28 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 1.20 0.00 -0.61 6.09 -1.95 -2.98 117.51 119.25 3n59 h ILE 130 Ca 0.00 -0.86 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 3n59 h ILE 130 Cb 0.00 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.49 3n59 h ILE 130 CO 0.00 0.27 0.00 1.67 -3.07 0.00 0.00 178.15 177.02 3n59 n GLN 131 N -4.25 0.15 -0.35 2.19 7.27 -1.20 -3.03 117.38 118.16 3n59 n GLN 131 Ca -0.00 0.37 0.09 0.00 0.07 0.00 0.00 57.00 57.52 3n59 n GLN 131 Cb 0.29 -1.78 0.26 0.00 2.41 0.00 0.00 30.24 31.41 3n59 n GLN 131 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3n59 h GLY 132 N 2.44 1.64 1.03 1.69 0.00 -1.54 0.15 103.07 108.48 3n59 h GLY 132 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3n59 h GLY 132 CO 0.00 0.06 0.14 -0.97 0.00 0.00 0.00 176.54 175.77 3n59 h TYR 133 N 0.87 1.05 -0.26 5.60 -1.99 -1.79 -2.23 116.97 118.22 3n59 h TYR 133 Ca 0.51 -0.13 -0.16 0.00 2.00 0.00 0.00 58.73 60.95 3n59 h TYR 133 Cb 0.63 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 3n59 h TYR 133 CO -0.02 0.89 -0.48 -0.07 -0.00 0.00 0.00 178.16 178.47 3n59 h LEU 134 N 0.91 0.77 -0.92 3.88 3.38 -1.33 -1.65 115.31 120.34 3n59 h LEU 134 Ca 0.19 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 3n59 h LEU 134 Cb 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3n59 h LEU 134 CO 0.00 1.12 -0.53 -0.07 0.09 0.00 0.00 178.44 179.06 3n59 h LEU 135 N 0.56 0.00 -0.90 1.67 3.38 -1.05 -2.56 115.31 116.41 3n59 h LEU 135 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3n59 h LEU 135 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3n59 h LEU 135 CO 0.10 0.53 -0.38 0.00 0.09 0.00 0.00 178.44 178.78 3n59 h ALA 136 N 1.47 1.06 -0.48 1.53 0.00 -1.07 -2.69 119.26 119.08 3n59 h ALA 136 Ca -0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3n59 h ALA 136 Cb 0.95 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3n59 h ALA 136 CO 0.07 0.59 -0.18 -0.07 0.00 0.00 0.00 179.25 179.66 3n59 h LEU 137 N 0.29 0.97 -0.62 0.00 3.38 -1.03 -3.08 115.31 115.21 3n59 h LEU 137 Ca 0.03 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 3n59 h LEU 137 Cb 0.80 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3n59 h LEU 137 CO 0.06 1.12 -0.19 -0.09 0.09 0.00 0.00 178.44 179.44 3n59 h ARG 138 N 0.84 0.89 -0.84 1.13 2.43 -1.33 -2.30 114.38 115.20 3n59 h ARG 138 Ca 0.12 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3n59 h ARG 138 Cb 0.74 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 3n59 h ARG 138 CO 0.06 1.00 0.47 -0.92 -1.51 0.00 0.00 179.97 179.07 3n59 h TYR 139 N 0.78 1.15 0.00 2.20 3.20 -1.51 -2.62 116.97 120.17 3n59 h TYR 139 Ca 0.11 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3n59 h TYR 139 Cb 0.73 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3n59 h TYR 139 CO 0.04 0.79 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.08 3n59 h LEU 140 N 1.17 0.00 -1.15 2.82 3.38 -1.42 -2.69 115.31 117.41 3n59 h LEU 140 Ca 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 3n59 h LEU 140 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3n59 h LEU 140 CO -0.05 0.20 -0.01 0.00 0.09 0.00 0.00 178.44 178.67 3n59 h ALA 141 N 1.80 1.30 0.09 1.53 0.00 -1.03 -3.26 119.26 119.70 3n59 h ALA 141 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3n59 h ALA 141 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3n59 h ALA 141 CO 0.03 0.47 -0.04 0.93 0.00 0.00 0.00 179.25 180.63 3n59 h GLU 142 N 0.55 -0.12 -0.00 0.00 3.07 -1.48 -3.52 114.58 113.07 3n59 h GLU 142 Ca 0.11 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3n59 h GLU 142 Cb 0.37 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3n59 h GLU 142 CO 0.01 0.14 0.00 0.72 -1.40 0.00 0.00 179.01 178.48