#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 4.99 -0.10 -0.08 1.09 -1.26 -0.85 121.20 124.99 3n59 s ILE 4 Ca 0.00 1.61 0.03 0.00 -1.10 0.00 0.00 60.65 61.19 3n59 s ILE 4 Cb 0.00 -4.12 -0.01 0.00 -1.06 0.00 0.00 42.46 37.27 3n59 s ILE 4 CO 0.00 0.20 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.16 3n59 s VAL 5 N 1.02 2.48 -0.23 2.92 1.01 0.13 -4.14 120.40 123.58 3n59 s VAL 5 Ca 0.41 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3n59 s VAL 5 Cb -0.18 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3n59 s VAL 5 CO 0.20 0.55 0.22 0.20 0.00 0.00 0.00 175.10 176.27 3n59 s ASN 6 N 0.15 6.20 -0.33 3.32 -0.87 -0.23 -0.26 114.94 122.93 3n59 s ASN 6 Ca -0.11 0.21 -0.07 0.00 -1.57 0.00 0.00 52.86 51.33 3n59 s ASN 6 Cb -0.16 -2.14 0.03 0.00 -0.02 0.00 0.00 41.25 38.96 3n59 s ASN 6 CO 0.06 0.02 0.11 -0.69 -2.57 0.00 0.00 177.10 174.03 3n59 s VAL 7 N 1.14 3.93 -0.23 1.60 1.01 0.25 0.38 120.40 128.48 3n59 s VAL 7 Ca 0.11 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3n59 s VAL 7 Cb -0.14 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3n59 s VAL 7 CO 0.05 -0.10 -0.02 -0.63 0.00 0.00 0.00 175.10 174.41 3n59 s ILE 8 N 1.45 3.57 -0.18 2.22 1.01 0.31 -1.32 121.20 128.26 3n59 s ILE 8 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 3n59 s ILE 8 Cb -0.19 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3n59 s ILE 8 CO 0.03 0.39 -0.00 0.20 0.00 0.00 0.00 174.94 175.56 3n59 s ASN 9 N 1.50 4.99 0.36 3.58 0.01 -0.40 -1.15 114.94 123.83 3n59 s ASN 9 Ca 0.06 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 3n59 s ASN 9 Cb -0.15 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.68 3n59 s ASN 9 CO -0.02 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 3n59 n GLY 10 N 3.79 -0.33 3.65 0.66 0.00 0.22 -2.28 105.19 110.90 3n59 n GLY 10 Ca -0.17 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.45 1.77 -0.41 1.61 -0.02 -1.05 -2.91 135.00 133.54 3n59 n PRO 11 Ca 0.00 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3n59 n PRO 11 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3n59 n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n59 n ASN 12 N 0.79 0.00 0.09 2.55 3.02 -1.26 -4.41 115.26 116.04 3n59 n ASN 12 Ca 0.07 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.74 3n59 n ASN 12 Cb 0.36 -0.06 0.27 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.22 3.41 3.38 -1.89 -2.80 115.31 117.19 3n59 h LEU 13 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 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 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3n59 n GLY 14 N 1.31 -1.27 0.65 0.83 0.00 -1.26 -2.99 105.19 102.45 3n59 n GLY 14 Ca 0.04 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.84 1.86 -1.63 1.61 5.12 -1.06 -4.67 116.66 116.05 3n59 n ARG 15 Ca 0.04 -1.28 -0.42 0.00 -1.93 0.00 0.00 57.85 54.26 3n59 n ARG 15 Cb 0.25 -1.43 0.01 0.00 -1.16 0.00 0.00 32.46 30.13 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 0.51 2.83 0.00 0.55 4.77 -1.16 -3.25 117.00 121.26 3n59 n LEU 16 Ca 0.17 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 3n59 n LEU 16 Cb 0.39 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 3n59 n LEU 16 CO 0.14 -1.21 0.00 0.61 -1.33 0.00 0.00 177.39 175.60 3n59 n GLY 17 N 1.08 2.22 2.60 -0.72 0.00 -0.95 -4.01 105.19 105.41 3n59 n GLY 17 Ca 0.08 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 3.30 0.00 1.61 1.85 -1.20 -4.77 116.66 117.45 3n59 n ARG 18 Ca 0.00 -2.63 0.00 0.00 -1.00 0.00 0.00 57.85 54.22 3n59 n ARG 18 Cb 0.00 -3.06 0.00 0.00 -1.05 0.00 0.00 32.46 28.35 3n59 n ARG 18 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 3n59 n TYR 24 N 4.83 0.00 0.00 2.89 4.11 -1.26 -5.03 117.16 122.70 3n59 n TYR 24 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.49 3n59 n TYR 24 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.67 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 0.00 -0.14 0.00 -7.48 0.00 -1.26 -5.02 105.19 91.30 3n59 n GLY 25 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 0.52 0.71 3.69 -0.02 0.00 -1.26 -4.59 105.19 104.24 3n59 n GLY 26 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.90 5.04 0.79 2.61 2.01 -1.26 -4.73 115.64 119.21 3n59 s THR 27 Ca 0.00 1.28 -0.11 0.00 0.31 0.00 0.00 61.69 63.17 3n59 s THR 27 Cb 0.00 -3.98 0.07 0.00 0.01 0.00 0.00 72.50 68.61 3n59 s THR 27 CO 0.00 0.19 1.16 0.42 -0.69 0.00 0.00 174.62 175.69 3n59 s THR 28 N 1.34 2.11 0.23 -0.82 -4.23 -1.26 -2.25 115.64 110.76 3n59 s THR 28 Ca 0.32 -0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 3n59 s THR 28 Cb -0.16 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.68 3n59 s THR 28 CO 0.13 -0.03 1.64 -0.74 -0.54 0.00 0.00 174.62 175.08 3n59 h HIS 29 N -0.99 0.78 -0.71 3.99 6.17 -1.82 -0.68 115.15 121.90 3n59 h HIS 29 Ca -0.46 -0.18 -0.02 0.00 0.71 0.00 0.00 60.37 60.42 3n59 h HIS 29 Cb 1.32 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 31.04 3n59 h HIS 29 CO 0.32 0.88 0.37 -0.44 0.71 0.00 0.00 177.93 179.77 3n59 h ASP 30 N 0.60 0.89 0.33 3.26 3.45 -1.93 -0.57 116.42 122.45 3n59 h ASP 30 Ca 0.08 -0.11 -0.11 0.00 0.43 0.00 0.00 57.03 57.32 3n59 h ASP 30 Cb 0.75 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 3n59 h ASP 30 CO 0.06 0.74 -0.46 -0.33 -1.57 0.00 0.00 179.24 177.68 3n59 h GLU 31 N 0.97 0.17 -0.42 3.56 5.08 -1.91 -2.74 114.58 119.29 3n59 h GLU 31 Ca 0.25 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3n59 h GLU 31 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3n59 h GLU 31 CO -0.04 0.60 0.05 1.25 -1.00 0.00 0.00 179.01 179.87 3n59 h LEU 32 N 0.14 0.69 -0.58 1.33 5.85 -0.63 -2.23 115.31 119.88 3n59 h LEU 32 Ca 0.01 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3n59 h LEU 32 Cb 0.87 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3n59 h LEU 32 CO 0.07 0.80 0.32 0.58 -0.34 0.00 0.00 178.44 179.86 3n59 h VAL 33 N 0.57 1.19 -0.72 1.05 2.07 -1.02 -1.61 116.25 117.78 3n59 h VAL 33 Ca 0.13 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3n59 h VAL 33 Cb 0.41 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3n59 h VAL 33 CO 0.01 0.20 0.25 0.00 0.02 0.00 0.00 177.57 178.05 3n59 h ALA 34 N 1.15 0.94 -0.55 1.67 0.00 -1.44 -1.08 119.26 119.95 3n59 h ALA 34 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 34 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3n59 h ALA 34 CO -0.03 0.61 0.01 -0.07 0.00 0.00 0.00 179.25 179.77 3n59 h LEU 35 N 1.06 0.95 -0.18 0.00 3.38 -1.22 -1.51 115.31 117.78 3n59 h LEU 35 Ca 0.24 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3n59 h LEU 35 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3n59 h LEU 35 CO -0.01 1.02 -0.02 0.40 0.09 0.00 0.00 178.44 179.92 3n59 h ILE 36 N 0.85 1.27 -0.17 1.22 2.04 -1.12 -1.76 117.51 119.84 3n59 h ILE 36 Ca 0.16 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 3n59 h ILE 36 Cb 0.52 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3n59 h ILE 36 CO 0.03 0.28 -0.22 -0.33 0.00 0.00 0.00 178.15 177.90 3n59 h GLU 37 N 0.07 0.30 -0.51 2.37 5.08 -1.21 0.09 114.58 120.79 3n59 h GLU 37 Ca 0.05 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3n59 h GLU 37 Cb 0.42 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3n59 h GLU 37 CO 0.01 0.52 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.28 3n59 h ARG 38 N 0.28 1.00 -0.07 2.33 2.43 -1.21 -2.74 114.38 116.40 3n59 h ARG 38 Ca 0.05 -0.40 -0.17 0.00 -0.81 0.00 0.00 59.98 58.65 3n59 h ARG 38 Cb 0.55 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3n59 h ARG 38 CO 0.04 1.08 -0.70 1.49 -1.51 0.00 0.00 179.97 180.37 3n59 h GLU 39 N 0.87 0.32 -0.46 0.20 4.57 -0.90 -3.17 114.58 116.01 3n59 h GLU 39 Ca 0.12 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3n59 h GLU 39 Cb 0.74 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3n59 h GLU 39 CO 0.06 0.89 0.14 0.00 -1.18 0.00 0.00 179.01 178.92 3n59 h ALA 40 N 1.04 0.61 -0.76 2.92 0.00 -0.95 -2.76 119.26 119.36 3n59 h ALA 40 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3n59 h ALA 40 Cb 1.25 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3n59 h ALA 40 CO 0.11 0.27 0.45 0.00 0.00 0.00 0.00 179.25 180.08 3n59 h ALA 41 N 0.99 0.97 0.00 0.00 0.00 -1.50 0.31 119.26 120.04 3n59 h ALA 41 Ca 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3n59 h ALA 41 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3n59 h ALA 41 CO -0.00 0.45 -0.30 0.93 0.00 0.00 0.00 179.25 180.33 3n59 h GLU 42 N 1.05 0.00 -0.02 0.00 5.08 -1.52 -2.48 114.58 116.69 3n59 h GLU 42 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3n59 h GLU 42 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3n59 h GLU 42 CO -0.05 0.30 -0.09 1.28 -1.00 0.00 0.00 179.01 179.45 3n59 n LEU 43 N -3.87 1.71 -1.66 1.33 4.77 -0.87 -4.96 117.00 113.47 3n59 n LEU 43 Ca -0.02 -0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 55.30 3n59 n LEU 43 Cb 0.38 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3n59 n LEU 43 CO 0.36 0.29 0.02 0.61 -1.33 0.00 0.00 177.39 177.35 3n59 n GLY 44 N 1.26 0.13 3.45 -0.72 0.00 -0.42 -4.97 105.19 103.92 3n59 n GLY 44 Ca 0.16 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.58 2.59 -0.31 0.99 1.43 0.97 -4.63 118.68 116.13 3n59 s LEU 45 Ca 0.17 -1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 3n59 s LEU 45 Cb -0.08 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.17 3n59 s LEU 45 CO 0.21 -0.01 0.05 -0.75 0.23 0.00 0.00 176.35 176.09 3n59 s LYS 46 N -3.54 2.59 -0.17 1.70 2.20 -0.03 -3.77 119.74 118.73 3n59 s LYS 46 Ca 0.29 -1.18 -0.16 0.00 -0.36 0.00 0.00 55.97 54.56 3n59 s LYS 46 Cb -0.04 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 3n59 s LYS 46 CO 0.14 -0.61 0.41 0.00 -0.36 0.00 0.00 175.35 174.92 3n59 s ALA 47 N 1.34 3.54 -0.39 3.13 0.00 -1.26 0.18 121.76 128.31 3n59 s ALA 47 Ca -0.03 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 3n59 s ALA 47 Cb -0.19 -2.60 0.07 0.00 0.00 0.00 0.00 23.12 20.39 3n59 s ALA 47 CO 0.01 -0.15 0.19 0.08 0.00 0.00 0.00 175.76 175.89 3n59 s VAL 48 N 0.99 3.93 -0.23 0.00 1.01 0.65 -4.90 120.40 121.84 3n59 s VAL 48 Ca 0.21 -1.39 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 3n59 s VAL 48 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3n59 s VAL 48 CO 0.08 -0.41 0.12 -0.69 0.00 0.00 0.00 175.10 174.21 3n59 s VAL 49 N 1.38 5.03 0.01 2.92 1.01 -1.26 -0.59 120.40 128.90 3n59 s VAL 49 Ca 0.02 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3n59 s VAL 49 Cb -0.22 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3n59 s VAL 49 CO 0.01 0.36 -0.03 -0.13 0.00 0.00 0.00 175.10 175.32 3n59 s ARG 50 N 1.05 0.24 -0.01 2.72 0.52 -0.43 -4.99 118.95 118.04 3n59 s ARG 50 Ca 0.06 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 3n59 s ARG 50 Cb -0.14 -0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.24 3n59 s ARG 50 CO 0.04 0.01 -0.09 -1.14 0.02 0.00 0.00 175.30 174.14 3n59 s GLN 51 N -0.64 0.82 -0.04 3.54 -0.44 -1.26 -1.28 119.66 120.36 3n59 s GLN 51 Ca -0.05 -0.33 -0.18 0.00 -2.50 0.00 0.00 55.36 52.30 3n59 s GLN 51 Cb -0.04 -0.78 0.03 0.00 -1.64 0.00 0.00 33.01 30.58 3n59 s GLN 51 CO -0.00 0.18 0.40 0.45 0.50 0.00 0.00 175.29 176.82 3n59 s SER 52 N -0.11 -0.31 0.00 6.67 0.15 -0.97 -5.01 113.70 114.13 3n59 s SER 52 Ca 0.02 0.29 0.25 0.00 0.70 0.00 0.00 55.95 57.21 3n59 s SER 52 Cb -0.05 0.41 0.55 0.00 -1.71 0.00 0.00 66.02 65.22 3n59 s SER 52 CO -0.00 -0.45 1.44 0.47 1.20 0.00 0.00 173.24 175.89 3n59 n ASP 53 N 1.35 0.95 -4.67 5.45 8.00 -1.26 -2.54 116.55 123.82 3n59 n ASP 53 Ca -0.20 -0.75 -0.39 0.00 0.71 0.00 0.00 54.79 54.15 3n59 n ASP 53 Cb 0.56 0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.69 6.61 0.14 -2.24 0.15 -1.26 -4.66 113.70 109.76 3n59 s SER 54 Ca 0.19 0.74 -0.17 0.00 0.70 0.00 0.00 55.95 57.40 3n59 s SER 54 Cb 0.18 -2.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 3n59 s SER 54 CO 0.60 -0.17 1.77 -0.08 1.20 0.00 0.00 173.24 176.57 3n59 h GLU 55 N 7.34 0.48 -0.97 5.44 4.81 -2.00 -2.78 114.58 126.90 3n59 h GLU 55 Ca -0.34 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.94 3n59 h GLU 55 Cb 1.16 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 3n59 h GLU 55 CO 0.75 0.35 0.62 0.00 -0.73 0.00 0.00 179.01 180.00 3n59 h ALA 56 N 1.09 1.52 -0.30 2.92 0.00 -1.99 -0.66 119.26 121.84 3n59 h ALA 56 Ca 0.13 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3n59 h ALA 56 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3n59 h ALA 56 CO -0.02 0.29 -0.34 0.37 0.00 0.00 0.00 179.25 179.54 3n59 h GLN 57 N 1.02 0.66 -0.45 0.00 5.75 -1.95 -1.09 115.11 119.06 3n59 h GLN 57 Ca 0.45 -0.31 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 3n59 h GLN 57 Cb 0.35 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3n59 h GLN 57 CO -0.20 0.91 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.79 3n59 h LEU 58 N 0.56 0.81 -0.72 -2.39 3.38 -1.10 -1.76 115.31 114.09 3n59 h LEU 58 Ca 0.06 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3n59 h LEU 58 Cb 0.85 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3n59 h LEU 58 CO 0.07 0.94 0.46 -0.07 0.09 0.00 0.00 178.44 179.93 3n59 h LEU 59 N 0.66 0.76 -0.04 1.67 3.38 -0.98 -1.42 115.31 119.34 3n59 h LEU 59 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3n59 h LEU 59 Cb 0.54 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3n59 h LEU 59 CO 0.03 0.53 0.02 -0.78 0.09 0.00 0.00 178.44 178.33 3n59 h ASP 60 N 0.91 0.04 -0.59 -0.43 3.58 -1.05 -0.51 116.42 118.37 3n59 h ASP 60 Ca 0.29 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 3n59 h ASP 60 Cb -0.00 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 3n59 h ASP 60 CO -0.10 0.06 0.36 -0.50 -2.88 0.00 0.00 179.24 176.18 3n59 h TRP 61 N 0.02 0.79 -0.31 0.28 6.55 -1.11 -2.06 115.95 120.12 3n59 h TRP 61 Ca 0.01 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.69 3n59 h TRP 61 Cb 0.02 -0.26 -0.00 0.00 -0.86 0.00 0.00 29.16 28.06 3n59 h TRP 61 CO -0.07 0.53 -0.48 0.82 -1.05 0.00 0.00 178.44 178.19 3n59 h ILE 62 N 0.83 1.28 -0.68 1.49 2.04 -1.02 -2.52 117.51 118.93 3n59 h ILE 62 Ca 0.22 -1.67 0.03 0.00 1.00 0.00 0.00 64.86 64.44 3n59 h ILE 62 Cb -0.03 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3n59 h ILE 62 CO -0.04 0.55 0.42 0.45 0.00 0.00 0.00 178.15 179.52 3n59 h HIS 63 N 0.66 0.78 -0.57 1.37 3.86 -0.64 -1.10 115.15 119.51 3n59 h HIS 63 Ca 0.03 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.17 3n59 h HIS 63 Cb 1.07 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 3n59 h HIS 63 CO 0.06 0.44 -0.00 1.96 0.86 0.00 0.00 177.93 181.25 3n59 h GLN 64 N 0.81 1.00 -0.26 2.45 4.20 -1.35 -1.53 115.11 120.43 3n59 h GLN 64 Ca 0.28 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3n59 h GLN 64 Cb 0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3n59 h GLN 64 CO -0.12 0.98 -0.22 0.00 -0.67 0.00 0.00 178.83 178.81 3n59 h ALA 65 N 1.07 1.13 -0.20 3.87 0.00 -1.18 0.14 119.26 124.08 3n59 h ALA 65 Ca 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3n59 h ALA 65 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3n59 h ALA 65 CO 0.03 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.87 3n59 h ALA 66 N 1.33 0.27 -0.19 0.00 0.00 -0.91 0.11 119.26 119.86 3n59 h ALA 66 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3n59 h ALA 66 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3n59 h ALA 66 CO 0.04 -0.09 -0.28 -0.44 0.00 0.00 0.00 179.25 178.49 3n59 h ASP 67 N 0.14 0.37 0.30 0.00 3.32 -1.10 -2.67 116.42 116.79 3n59 h ASP 67 Ca 0.06 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3n59 h ASP 67 Cb 0.27 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3n59 h ASP 67 CO 0.00 0.64 -0.21 0.00 -1.72 0.00 0.00 179.24 177.96 3n59 n ALA 68 N -2.48 2.96 -3.76 3.45 0.00 0.02 -4.96 120.51 115.74 3n59 n ALA 68 Ca -0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 3n59 n ALA 68 Cb 0.40 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.80 -1.81 -2.69 0.00 0.00 0.09 -4.99 120.51 110.30 3n59 n ALA 69 Ca 0.13 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 3n59 n ALA 69 Cb 0.32 -2.65 -0.10 0.00 0.00 0.00 0.00 19.45 17.02 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 -6.17 3.03 0.40 0.00 2.02 0.14 -4.69 118.70 113.43 3n59 s GLU 70 Ca 0.18 -0.44 -0.27 0.00 0.02 0.00 0.00 54.97 54.46 3n59 s GLU 70 Cb -0.09 -2.78 -0.10 0.00 0.10 0.00 0.00 34.13 31.26 3n59 s GLU 70 CO 0.82 0.64 1.47 -2.14 0.02 0.00 0.00 175.26 176.07 3n59 s PRO 71 N -0.71 3.99 -0.11 0.39 0.02 -1.26 -4.71 135.00 132.61 3n59 s PRO 71 Ca 0.11 2.54 0.03 0.00 0.02 0.00 0.00 61.00 63.69 3n59 s PRO 71 Cb -0.12 -2.89 -0.00 0.00 0.02 0.00 0.00 34.50 31.52 3n59 s PRO 71 CO 0.02 -0.61 -0.21 0.08 -0.33 0.00 0.00 177.00 175.95 3n59 s VAL 72 N -1.14 2.32 -0.33 3.83 1.01 -0.85 -1.06 120.40 124.17 3n59 s VAL 72 Ca 0.55 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3n59 s VAL 72 Cb -0.46 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3n59 s VAL 72 CO 0.62 0.55 0.16 -0.63 0.00 0.00 0.00 175.10 175.80 3n59 s ILE 73 N 0.43 4.52 -0.19 2.22 1.01 0.16 -1.11 121.20 128.24 3n59 s ILE 73 Ca -0.15 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3n59 s ILE 73 Cb -0.17 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.93 3n59 s ILE 73 CO 0.06 -0.03 -0.18 -0.22 0.00 0.00 0.00 174.94 174.57 3n59 s LEU 74 N 1.58 2.22 -0.45 2.97 2.96 -0.04 -0.53 118.68 127.39 3n59 s LEU 74 Ca 0.03 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 3n59 s LEU 74 Cb -0.18 -1.50 0.12 0.00 0.50 0.00 0.00 46.19 45.13 3n59 s LEU 74 CO 0.06 -0.01 0.28 0.21 -1.32 0.00 0.00 176.35 175.57 3n59 s ASN 75 N 1.30 5.42 0.00 3.68 3.84 -0.30 -1.05 114.94 127.83 3n59 s ASN 75 Ca 0.05 -2.08 0.31 0.00 0.21 0.00 0.00 52.86 51.35 3n59 s ASN 75 Cb -0.13 -1.89 1.71 0.00 -0.55 0.00 0.00 41.25 40.38 3n59 s ASN 75 CO -0.12 -0.58 2.14 0.00 -2.79 0.00 0.00 177.10 175.75 3n59 n ALA 76 N 4.59 2.61 -0.93 1.71 0.00 -1.26 0.70 120.51 127.93 3n59 n ALA 76 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3n59 n ALA 76 Cb 0.41 -1.49 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 1.13 3.41 0.22 0.00 0.00 -1.26 -2.60 105.19 106.09 3n59 n GLY 77 Ca 0.20 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.06 103.07 100.04 3n59 h GLY 78 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3n59 h GLY 78 CO 0.00 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.88 3n59 h LEU 79 N 0.00 0.00 -0.89 3.11 3.38 -1.88 -2.97 115.31 116.06 3n59 h LEU 79 Ca -0.00 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.21 3n59 h LEU 79 Cb 0.54 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 3n59 h LEU 79 CO 0.03 0.07 0.14 0.74 0.09 0.00 0.00 178.44 179.52 3n59 h THR 80 N 0.00 0.22 -0.00 0.22 2.02 -1.69 0.10 112.91 113.78 3n59 h THR 80 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3n59 h THR 80 Cb 0.33 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3n59 h THR 80 CO 0.01 0.02 -0.48 1.41 0.37 0.00 0.00 175.52 176.85 3n59 n HIS 81 N -5.33 0.00 0.00 3.16 8.25 -1.12 -1.51 115.22 118.67 3n59 n HIS 81 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3n59 n HIS 81 Cb 0.69 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.98 0.00 -3.10 1.59 -2.24 -0.64 -4.80 114.28 104.11 3n59 n THR 82 Ca 0.08 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 3n59 n THR 82 Cb 0.36 -0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 67.90 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 -3.07 6.36 0.10 3.42 0.15 0.27 -4.89 113.70 116.04 3n59 s SER 83 Ca 0.00 -0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.39 3n59 s SER 83 Cb 0.00 -2.33 -0.19 0.00 -1.71 0.00 0.00 66.02 61.80 3n59 s SER 83 CO 0.00 -0.74 1.22 0.58 1.20 0.00 0.00 173.24 175.50 3n59 h VAL 84 N 5.83 1.37 -0.93 4.45 2.07 -1.96 -3.17 116.25 123.90 3n59 h VAL 84 Ca -0.26 -2.50 0.09 0.00 0.82 0.00 0.00 66.70 64.85 3n59 h VAL 84 Cb 1.10 2.55 -0.07 0.00 -1.52 0.00 0.00 31.29 33.35 3n59 h VAL 84 CO 0.88 0.75 0.60 0.00 0.02 0.00 0.00 177.57 179.83 3n59 h ALA 85 N 0.57 1.54 -0.38 1.67 0.00 -1.99 -0.36 119.26 120.31 3n59 h ALA 85 Ca -0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3n59 h ALA 85 Cb 1.73 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3n59 h ALA 85 CO 0.19 0.28 -0.31 1.25 0.00 0.00 0.00 179.25 180.67 3n59 h LEU 86 N 0.99 0.93 -0.26 0.00 5.85 -1.95 -2.07 115.31 118.80 3n59 h LEU 86 Ca 0.42 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3n59 h LEU 86 Cb 0.32 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3n59 h LEU 86 CO -0.18 1.18 0.14 -0.09 -0.34 0.00 0.00 178.44 179.15 3n59 h ARG 87 N 0.69 0.28 -0.86 1.25 2.43 -1.33 -1.34 114.38 115.50 3n59 h ARG 87 Ca 0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3n59 h ARG 87 Cb 0.89 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 3n59 h ARG 87 CO 0.08 0.19 0.47 -0.44 -1.51 0.00 0.00 179.97 178.75 3n59 h ASP 88 N 0.29 1.08 -0.43 -3.80 3.32 -1.04 -1.15 116.42 114.68 3n59 h ASP 88 Ca 0.11 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3n59 h ASP 88 Cb 0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3n59 h ASP 88 CO -0.07 0.87 0.22 0.00 -1.72 0.00 0.00 179.24 178.55 3n59 h ALA 89 N 1.25 0.55 0.00 3.45 0.00 -1.20 -2.77 119.26 120.53 3n59 h ALA 89 Ca 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3n59 h ALA 89 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3n59 h ALA 89 CO -0.05 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.25 3n59 h ALA 91 N 1.96 1.20 0.00 0.00 0.00 -0.92 -2.81 119.26 118.69 3n59 h ALA 91 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3n59 h ALA 91 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3n59 h ALA 91 CO 0.01 0.29 0.00 0.93 0.00 0.00 0.00 179.25 180.48 3n59 h GLU 92 N 0.00 0.00 -6.30 0.00 5.08 -1.55 -3.45 114.58 108.36 3n59 h GLU 92 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3n59 h GLU 92 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3n59 h GLU 92 CO 0.03 0.00 1.03 -0.51 -1.00 0.00 0.00 179.01 178.56 3n59 s LEU 93 N -5.44 4.32 0.07 1.33 1.43 -1.06 -4.87 118.68 114.46 3n59 s LEU 93 Ca 0.04 2.23 0.15 0.00 -1.03 0.00 0.00 54.13 55.52 3n59 s LEU 93 Cb 0.09 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.63 3n59 s LEU 93 CO 0.52 -0.88 0.88 0.77 0.23 0.00 0.00 176.35 177.87 3n59 h SER 94 N 9.05 0.00 -3.71 2.29 4.64 -1.87 -3.47 113.55 120.48 3n59 h SER 94 Ca -0.39 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.44 3n59 h SER 94 Cb 1.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3n59 h SER 94 CO 0.94 0.67 0.14 0.00 -0.87 0.00 0.00 176.83 177.72 3n59 s ALA 95 N -2.85 3.34 0.39 5.18 0.00 -1.26 -5.02 121.76 121.53 3n59 s ALA 95 Ca -0.02 -0.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 3n59 s ALA 95 Cb 0.08 -2.70 -0.11 0.00 0.00 0.00 0.00 23.12 20.39 3n59 s ALA 95 CO 0.81 -0.18 1.04 -2.30 0.00 0.00 0.00 175.76 175.12 3n59 n PRO 96 N -1.75 1.43 -4.35 0.00 -0.02 -1.26 -4.74 135.00 124.31 3n59 n PRO 96 Ca 0.02 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 3n59 n PRO 96 Cb 0.54 -2.03 -0.16 0.00 -0.02 0.00 0.00 33.50 31.83 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 -0.36 2.10 -0.23 2.45 2.96 -1.26 -2.01 118.68 122.32 3n59 s LEU 97 Ca 0.61 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3n59 s LEU 97 Cb -0.59 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3n59 s LEU 97 CO 0.58 0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.94 3n59 s ILE 98 N 1.09 2.93 -0.01 6.68 1.01 -0.27 0.53 121.20 133.15 3n59 s ILE 98 Ca -0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 3n59 s ILE 98 Cb -0.14 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 3n59 s ILE 98 CO -0.08 0.30 0.92 -0.70 0.00 0.00 0.00 174.94 175.39 3n59 s GLU 99 N 1.37 4.54 -0.07 2.79 2.12 -0.33 -0.86 118.70 128.26 3n59 s GLU 99 Ca 0.02 1.31 0.04 0.00 0.36 0.00 0.00 54.97 56.70 3n59 s GLU 99 Cb -0.15 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.78 3n59 s GLU 99 CO -0.05 -0.02 -0.19 0.08 -0.54 0.00 0.00 175.26 174.54 3n59 s VAL 100 N 0.96 1.61 -0.06 3.70 1.01 -0.22 -0.02 120.40 127.38 3n59 s VAL 100 Ca 0.49 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3n59 s VAL 100 Cb -0.20 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3n59 s VAL 100 CO 0.26 0.46 -0.17 -1.00 0.00 0.00 0.00 175.10 174.65 3n59 s HIS 101 N 0.28 1.79 -0.01 5.22 3.76 0.30 -4.20 115.29 122.43 3n59 s HIS 101 Ca -0.11 -0.60 -0.24 0.00 -0.15 0.00 0.00 55.06 53.96 3n59 s HIS 101 Cb -0.15 -1.23 -0.16 0.00 1.11 0.00 0.00 32.58 32.15 3n59 s HIS 101 CO 0.05 -0.24 1.13 0.82 -0.85 0.00 0.00 174.74 175.64 3n59 h ILE 102 N 5.54 0.71 -3.35 0.60 2.04 -1.87 -2.28 117.51 118.89 3n59 h ILE 102 Ca -0.30 -0.73 -0.47 0.00 1.00 0.00 0.00 64.86 64.37 3n59 h ILE 102 Cb 1.19 1.07 0.05 0.00 -0.74 0.00 0.00 36.82 38.39 3n59 h ILE 102 CO 0.48 0.14 0.10 -0.94 0.00 0.00 0.00 178.15 177.92 3n59 s SER 103 N -5.17 5.53 -0.63 1.72 1.04 -1.26 -1.66 113.70 113.26 3n59 s SER 103 Ca -0.14 0.52 -0.27 0.00 0.48 0.00 0.00 55.95 56.54 3n59 s SER 103 Cb 0.02 -1.52 0.03 0.00 0.10 0.00 0.00 66.02 64.65 3n59 s SER 103 CO 0.52 -1.05 1.16 0.21 0.98 0.00 0.00 173.24 175.06 3n59 s ASN 104 N -4.32 6.32 0.58 7.02 3.84 -1.26 -2.63 114.94 124.48 3n59 s ASN 104 Ca 0.54 -0.22 0.38 0.00 0.21 0.00 0.00 52.86 53.77 3n59 s ASN 104 Cb -0.10 -2.53 1.89 0.00 -0.55 0.00 0.00 41.25 39.96 3n59 s ASN 104 CO 0.43 -1.55 2.15 -0.37 -2.79 0.00 0.00 177.10 174.96 3n59 h VAL 105 N 6.08 0.00 -0.00 -5.21 -1.51 -1.94 -2.57 116.25 111.10 3n59 h VAL 105 Ca -0.26 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3n59 h VAL 105 Cb 1.06 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3n59 h VAL 105 CO 1.20 0.00 -0.33 1.41 -1.23 0.00 0.00 177.57 178.62 3n59 n HIS 106 N -2.96 0.00 -0.07 5.19 8.25 -1.26 -3.19 115.22 121.18 3n59 n HIS 106 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 3n59 n HIS 106 Cb 0.15 -0.33 0.29 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.49 2.40 -3.00 -1.41 0.00 -0.97 -4.95 120.51 111.09 3n59 n ALA 107 Ca 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.35 3n59 n ALA 107 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.47 3.88 -1.58 0.00 1.74 -1.19 -5.10 116.66 115.88 3n59 n ARG 108 Ca 0.22 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 3n59 n ARG 108 Cb 0.57 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.09 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 2.18 2.34 0.39 5.56 8.01 -1.26 -4.93 118.70 130.99 3n59 s GLU 109 Ca 0.00 1.86 0.10 0.00 0.01 0.00 0.00 54.97 56.93 3n59 s GLU 109 Cb 0.00 -1.85 0.81 0.00 -4.31 0.00 0.00 34.13 28.79 3n59 s GLU 109 CO 0.00 -1.71 1.94 0.93 0.01 0.00 0.00 175.26 176.43 3n59 h GLU 110 N 0.07 0.25 0.00 1.61 4.39 -1.96 -2.71 114.58 116.22 3n59 h GLU 110 Ca -0.49 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3n59 h GLU 110 Cb 1.31 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3n59 h GLU 110 CO 0.51 0.36 0.00 1.97 -1.16 0.00 0.00 179.01 180.69 3n59 n PHE 111 N -4.30 0.27 1.05 4.33 1.16 -1.26 -2.14 117.46 116.57 3n59 n PHE 111 Ca -0.01 0.10 0.12 0.00 -1.87 0.00 0.00 57.45 55.80 3n59 n PHE 111 Cb 0.24 -0.67 0.31 0.00 -1.61 0.00 0.00 39.48 37.76 3n59 n PHE 111 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3n59 n ARG 112 N -1.74 0.15 0.00 3.97 1.74 -1.02 -3.96 116.66 115.79 3n59 n ARG 112 Ca 0.03 -0.08 0.13 0.00 -0.77 0.00 0.00 57.85 57.17 3n59 n ARG 112 Cb 0.21 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.64 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 -1.35 0.08 -4.15 5.56 1.74 -0.91 -4.74 116.66 112.90 3n59 n ARG 113 Ca 0.07 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.78 3n59 n ARG 113 Cb 0.33 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.94 3.23 -0.05 -1.55 2.46 -1.25 -5.06 115.29 110.13 3n59 s HIS 114 Ca 0.15 0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.80 3n59 s HIS 114 Cb 0.19 -1.97 0.01 0.00 -0.13 0.00 0.00 32.58 30.68 3n59 s HIS 114 CO 0.58 0.27 -0.10 0.45 -2.47 0.00 0.00 174.74 173.47 3n59 s SER 115 N -0.11 1.48 0.36 9.88 0.15 -1.26 -4.32 113.70 119.87 3n59 s SER 115 Ca 0.06 -0.24 0.19 0.00 0.70 0.00 0.00 55.95 56.66 3n59 s SER 115 Cb -0.12 -0.57 0.37 0.00 -1.71 0.00 0.00 66.02 63.99 3n59 s SER 115 CO 0.01 0.04 1.59 1.88 1.20 0.00 0.00 173.24 177.96 3n59 h TYR 116 N 6.74 0.00 0.09 3.44 0.05 -1.58 -3.34 116.97 122.37 3n59 h TYR 116 Ca -0.33 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.17 3n59 h TYR 116 Cb 1.17 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 3n59 h TYR 116 CO 0.47 0.33 -1.38 -0.07 -1.05 0.00 0.00 178.16 176.46 3n59 h LEU 117 N 0.00 0.29 -0.52 3.88 3.38 -1.90 -3.39 115.31 117.05 3n59 h LEU 117 Ca -0.00 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.70 3n59 h LEU 117 Cb 1.13 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 3n59 h LEU 117 CO 0.04 1.30 -0.07 0.28 0.09 0.00 0.00 178.44 180.08 3n59 h SER 118 N 0.05 -0.37 -0.50 -0.43 0.02 -1.93 -1.27 113.55 109.12 3n59 h SER 118 Ca -0.18 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3n59 h SER 118 Cb 1.96 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 64.75 3n59 h SER 118 CO 0.16 -0.14 0.33 -0.65 -1.14 0.00 0.00 176.83 175.40 3n59 h PRO 119 N 0.05 0.46 -0.01 3.45 0.11 -1.79 -2.89 132.00 131.38 3n59 h PRO 119 Ca 0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3n59 h PRO 119 Cb 0.40 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3n59 h PRO 119 CO -0.49 0.30 -0.72 0.44 -0.21 0.00 0.00 178.00 177.32 3n59 n ILE 120 N -4.48 0.00 -1.90 4.15 -6.64 -0.88 -4.94 119.36 104.67 3n59 n ILE 120 Ca 0.06 -0.11 -0.32 0.00 -1.77 0.00 0.00 62.75 60.62 3n59 n ILE 120 Cb 0.22 1.04 0.02 0.00 -1.44 0.00 0.00 39.64 39.47 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 -2.76 2.88 0.00 -1.28 0.00 -0.53 -4.89 121.76 115.17 3n59 s ALA 121 Ca 0.13 0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 3n59 s ALA 121 Cb 0.17 -3.15 -0.16 0.00 0.00 0.00 0.00 23.12 19.98 3n59 s ALA 121 CO 0.72 -0.81 1.15 1.15 0.00 0.00 0.00 175.76 177.98 3n59 h THR 122 N -0.06 0.53 -4.26 0.00 2.02 -0.22 -3.48 112.91 107.44 3n59 h THR 122 Ca -0.45 -0.57 -0.21 0.00 0.77 0.00 0.00 66.41 65.95 3n59 h THR 122 Cb 1.20 0.77 -0.12 0.00 -1.74 0.00 0.00 68.15 68.26 3n59 h THR 122 CO 0.59 0.09 -0.39 -0.83 0.37 0.00 0.00 175.52 175.35 3n59 s GLY 123 N -2.71 1.25 -0.04 2.16 0.00 -1.18 -5.04 107.32 101.76 3n59 s GLY 123 Ca -0.14 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3n59 s GLY 123 CO 0.50 -1.11 -0.03 0.14 0.00 0.00 0.00 173.10 172.60 3n59 s VAL 124 N -3.89 0.43 -0.14 1.40 1.01 -1.26 -1.18 120.40 116.77 3n59 s VAL 124 Ca 0.33 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3n59 s VAL 124 Cb 0.03 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 3n59 s VAL 124 CO 0.14 0.20 -0.16 -0.63 0.00 0.00 0.00 175.10 174.64 3n59 s ILE 125 N 0.91 2.65 -0.01 2.22 1.01 0.97 -4.97 121.20 123.98 3n59 s ILE 125 Ca -0.11 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3n59 s ILE 125 Cb -0.14 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3n59 s ILE 125 CO -0.00 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.73 3n59 s VAL 126 N 0.63 0.35 0.00 2.92 1.01 -1.26 -0.54 120.40 123.52 3n59 s VAL 126 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3n59 s VAL 126 Cb -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3n59 s VAL 126 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3n59 n GLY 127 N 3.14 0.76 1.48 4.51 0.00 -0.86 -4.83 105.19 109.39 3n59 n GLY 127 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 4.32 0.00 0.99 4.77 -1.23 -4.64 117.00 121.21 3n59 n LEU 128 Ca 0.00 -2.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 3n59 n LEU 128 Cb 0.01 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3n59 n LEU 128 CO 0.00 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3n59 n GLY 129 N 0.47 1.81 0.26 -0.72 0.00 -0.67 -3.08 105.19 103.27 3n59 n GLY 129 Ca 0.20 -0.57 0.15 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 0.12 0.00 -0.61 6.09 -1.94 -3.05 117.51 118.11 3n59 h ILE 130 Ca 0.00 -0.68 0.00 0.00 -1.37 0.00 0.00 64.86 62.81 3n59 h ILE 130 Cb 0.00 1.60 0.00 0.00 0.47 0.00 0.00 36.82 38.89 3n59 h ILE 130 CO 0.00 0.05 0.00 1.67 -3.07 0.00 0.00 178.15 176.80 3n59 n GLN 131 N -3.16 0.21 -0.33 2.19 7.27 -1.18 -3.10 117.38 119.29 3n59 n GLN 131 Ca 0.01 0.33 0.05 0.00 0.07 0.00 0.00 57.00 57.46 3n59 n GLN 131 Cb 0.35 -1.83 0.23 0.00 2.41 0.00 0.00 30.24 31.40 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 3.15 1.41 0.90 1.69 0.00 -1.61 0.26 103.07 108.87 3n59 h GLY 132 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3n59 h GLY 132 CO 0.00 0.28 0.07 -0.97 0.00 0.00 0.00 176.54 175.92 3n59 h TYR 133 N 1.04 0.23 -0.38 5.60 -1.99 -1.79 -0.56 116.97 119.11 3n59 h TYR 133 Ca 0.42 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 61.03 3n59 h TYR 133 Cb 0.26 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 3n59 h TYR 133 CO -0.00 0.28 -0.19 -0.07 -0.00 0.00 0.00 178.16 178.18 3n59 h LEU 134 N 0.12 0.73 -0.70 3.88 3.38 -1.61 0.10 115.31 121.21 3n59 h LEU 134 Ca 0.05 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 3n59 h LEU 134 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3n59 h LEU 134 CO -0.01 0.91 -0.42 -0.07 0.09 0.00 0.00 178.44 178.94 3n59 h LEU 135 N 0.65 0.53 -0.88 1.67 3.38 -0.93 -1.96 115.31 117.77 3n59 h LEU 135 Ca 0.10 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3n59 h LEU 135 Cb 0.67 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3n59 h LEU 135 CO 0.05 0.89 -0.17 0.00 0.09 0.00 0.00 178.44 179.30 3n59 h ALA 136 N 1.13 1.05 -0.71 1.53 0.00 -0.71 -2.57 119.26 118.98 3n59 h ALA 136 Ca 0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3n59 h ALA 136 Cb 0.91 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3n59 h ALA 136 CO 0.08 0.58 0.27 -0.07 0.00 0.00 0.00 179.25 180.10 3n59 h LEU 137 N 0.57 0.99 -0.90 0.00 3.38 -0.76 -3.00 115.31 115.59 3n59 h LEU 137 Ca 0.09 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3n59 h LEU 137 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3n59 h LEU 137 CO 0.04 0.91 -0.27 -0.09 0.09 0.00 0.00 178.44 179.12 3n59 h ARG 138 N 1.02 0.50 -0.40 1.13 2.43 -1.17 -2.19 114.38 115.71 3n59 h ARG 138 Ca 0.23 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3n59 h ARG 138 Cb 0.24 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3n59 h ARG 138 CO -0.02 0.73 0.24 -0.92 -1.51 0.00 0.00 179.97 178.49 3n59 h TYR 139 N 0.44 0.44 0.00 2.20 3.20 -1.37 -2.69 116.97 119.19 3n59 h TYR 139 Ca 0.06 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3n59 h TYR 139 Cb 0.70 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3n59 h TYR 139 CO 0.02 0.26 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.46 3n59 h LEU 140 N 0.48 0.00 -1.23 2.82 3.38 -1.35 -1.37 115.31 118.05 3n59 h LEU 140 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3n59 h LEU 140 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3n59 h LEU 140 CO -0.07 0.27 -0.38 0.00 0.09 0.00 0.00 178.44 178.35 3n59 h ALA 141 N 1.73 1.34 0.00 1.53 0.00 -1.08 -3.10 119.26 119.67 3n59 h ALA 141 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3n59 h ALA 141 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3n59 h ALA 141 CO 0.04 0.48 -1.22 0.39 0.00 0.00 0.00 179.25 178.94 3n59 n GLU 142 N -4.04 0.40 0.00 0.00 4.71 -0.86 -5.11 120.64 115.74 3n59 n GLU 142 Ca -0.02 -0.02 0.01 0.00 -0.01 0.00 0.00 57.16 57.12 3n59 n GLU 142 Cb 0.42 -1.61 0.01 0.00 -1.01 0.00 0.00 31.44 29.25 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94