#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 5.04 -0.18 -0.08 1.01 -1.26 -1.78 121.20 123.96 3n59 s ILE 4 Ca 0.00 1.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.92 3n59 s ILE 4 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 3n59 s ILE 4 CO 0.00 0.19 -0.10 -0.69 0.00 0.00 0.00 174.94 174.34 3n59 s VAL 5 N 1.30 3.04 -0.04 2.92 1.01 0.50 -4.12 120.40 125.02 3n59 s VAL 5 Ca 0.33 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 3n59 s VAL 5 Cb -0.16 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3n59 s VAL 5 CO 0.13 0.48 0.54 0.20 0.00 0.00 0.00 175.10 176.45 3n59 s ASN 6 N 1.00 6.86 -0.25 3.32 0.01 -0.80 -1.60 114.94 123.48 3n59 s ASN 6 Ca -0.01 1.03 0.01 0.00 -0.71 0.00 0.00 52.86 53.18 3n59 s ASN 6 Cb -0.15 -2.33 0.05 0.00 0.41 0.00 0.00 41.25 39.24 3n59 s ASN 6 CO -0.01 0.09 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.88 3n59 s VAL 7 N -0.03 2.37 -0.20 1.60 1.01 0.46 -0.34 120.40 125.27 3n59 s VAL 7 Ca 0.29 -1.43 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 3n59 s VAL 7 Cb -0.17 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3n59 s VAL 7 CO 0.15 0.06 -0.07 -0.63 0.00 0.00 0.00 175.10 174.60 3n59 s ILE 8 N 1.18 3.20 -0.15 2.22 -1.09 0.03 -1.33 121.20 125.26 3n59 s ILE 8 Ca -0.05 -0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 57.77 3n59 s ILE 8 Cb -0.19 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 3n59 s ILE 8 CO -0.05 0.46 -0.05 0.20 -1.23 0.00 0.00 174.94 174.26 3n59 s ASN 9 N 1.22 4.64 0.19 3.58 0.01 -0.21 -0.77 114.94 123.60 3n59 s ASN 9 Ca 0.02 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 3n59 s ASN 9 Cb -0.14 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 39.77 3n59 s ASN 9 CO -0.03 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 3n59 n GLY 10 N 3.58 -0.38 3.63 0.66 0.00 0.29 -1.76 105.19 111.21 3n59 n GLY 10 Ca -0.18 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.23 1.36 -0.65 1.61 -0.02 -1.09 -2.94 135.00 133.03 3n59 n PRO 11 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3n59 n PRO 11 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 0.12 0.00 -0.16 2.55 3.02 -1.26 -4.59 115.26 114.94 3n59 n ASN 12 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 3n59 n ASN 12 Cb 0.41 -1.11 0.29 0.00 -0.61 0.00 0.00 39.78 38.76 3n59 n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n59 n LEU 13 N 0.00 0.90 0.09 3.41 4.77 -1.15 -3.61 117.00 121.40 3n59 n LEU 13 Ca 0.00 -0.21 0.12 0.00 -0.03 0.00 0.00 56.01 55.89 3n59 n LEU 13 Cb 0.00 -0.15 0.45 0.00 -2.33 0.00 0.00 43.42 41.39 3n59 n LEU 13 CO 0.00 0.18 0.87 0.61 -1.33 0.00 0.00 177.39 177.72 3n59 n GLY 14 N 1.41 -1.44 2.59 -0.72 0.00 -1.26 -3.75 105.19 102.02 3n59 n GLY 14 Ca 0.09 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3n59 n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n59 n ARG 15 N -2.07 3.21 -2.33 1.61 1.85 -1.24 -4.43 116.66 113.27 3n59 n ARG 15 Ca 0.04 -4.15 -0.33 0.00 -1.00 0.00 0.00 57.85 52.41 3n59 n ARG 15 Cb 0.31 -2.26 -0.02 0.00 -1.05 0.00 0.00 32.46 29.45 3n59 n ARG 15 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3n59 s LEU 16 N -3.72 3.68 0.00 2.89 1.43 -1.25 -4.36 118.68 117.36 3n59 s LEU 16 Ca 0.50 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 3n59 s LEU 16 Cb 0.42 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 42.09 3n59 s LEU 16 CO -0.24 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.04 3n59 n GLY 17 N -0.71 1.04 1.29 -3.19 0.00 -1.11 -4.01 105.19 98.50 3n59 n GLY 17 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.57 1.74 0.00 1.61 1.74 -1.26 -4.73 116.66 115.20 3n59 n ARG 18 Ca 0.00 -3.26 0.00 0.00 -0.77 0.00 0.00 57.85 53.82 3n59 n ARG 18 Cb 0.00 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 3n59 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n59 n GLY 25 N -0.67 0.00 2.82 -0.13 0.00 -1.26 -5.21 105.19 100.75 3n59 n GLY 25 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 3n59 n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n59 s GLY 26 N 0.00 -0.70 -0.01 -0.02 0.00 -1.26 -5.11 107.32 100.22 3n59 s GLY 26 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.09 3n59 s GLY 26 CO 0.00 3.29 -0.02 -1.59 0.00 0.00 0.00 173.10 174.77 3n59 s THR 27 N 1.10 0.24 0.77 0.90 2.01 -1.26 -4.94 115.64 114.47 3n59 s THR 27 Ca 0.25 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 3n59 s THR 27 Cb -0.03 -0.25 0.05 0.00 0.01 0.00 0.00 72.50 72.28 3n59 s THR 27 CO -0.07 0.10 1.10 0.42 -0.69 0.00 0.00 174.62 175.48 3n59 s THR 28 N 0.35 3.15 0.20 -0.82 -4.23 -1.26 -2.74 115.64 110.29 3n59 s THR 28 Ca -0.03 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 60.77 3n59 s THR 28 Cb -0.06 -3.20 0.13 0.00 1.34 0.00 0.00 72.50 70.71 3n59 s THR 28 CO -0.01 -0.49 1.74 -0.74 -0.54 0.00 0.00 174.62 174.59 3n59 h HIS 29 N -0.96 1.20 -0.75 3.99 6.17 -1.77 -2.05 115.15 120.97 3n59 h HIS 29 Ca -0.46 -0.12 -0.02 0.00 0.71 0.00 0.00 60.37 60.47 3n59 h HIS 29 Cb 1.27 -0.35 -0.04 0.00 2.52 0.00 0.00 27.41 30.81 3n59 h HIS 29 CO 0.47 0.94 0.37 -0.44 0.71 0.00 0.00 177.93 179.98 3n59 h ASP 30 N 1.11 0.96 0.31 3.26 3.32 -1.94 -1.55 116.42 121.89 3n59 h ASP 30 Ca 0.24 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 3n59 h ASP 30 Cb 0.31 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3n59 h ASP 30 CO -0.01 0.80 -0.58 -0.33 -1.72 0.00 0.00 179.24 177.40 3n59 h GLU 31 N 1.06 0.27 -0.53 3.56 5.08 -1.91 -2.73 114.58 119.38 3n59 h GLU 31 Ca 0.26 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3n59 h GLU 31 Cb 0.09 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3n59 h GLU 31 CO -0.04 0.78 -0.02 1.25 -1.00 0.00 0.00 179.01 179.98 3n59 h LEU 32 N 0.21 0.90 -0.25 1.33 5.85 -0.87 0.16 115.31 122.64 3n59 h LEU 32 Ca -0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3n59 h LEU 32 Cb 1.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3n59 h LEU 32 CO 0.09 0.97 0.16 0.58 -0.34 0.00 0.00 178.44 179.91 3n59 h VAL 33 N 0.85 1.08 -0.64 1.05 2.07 -1.23 -1.10 116.25 118.33 3n59 h VAL 33 Ca 0.15 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3n59 h VAL 33 Cb 0.53 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3n59 h VAL 33 CO 0.03 0.08 0.32 0.00 0.02 0.00 0.00 177.57 178.01 3n59 h ALA 34 N 1.07 0.83 -0.61 1.67 0.00 -1.16 -0.71 119.26 120.35 3n59 h ALA 34 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3n59 h ALA 34 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3n59 h ALA 34 CO -0.02 0.39 0.25 -0.07 0.00 0.00 0.00 179.25 179.79 3n59 h LEU 35 N 0.89 0.85 -0.20 0.00 3.38 -0.54 -1.79 115.31 117.89 3n59 h LEU 35 Ca 0.22 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3n59 h LEU 35 Cb 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3n59 h LEU 35 CO -0.03 0.79 -0.27 0.40 0.09 0.00 0.00 178.44 179.42 3n59 h ILE 36 N 0.86 1.33 -0.85 1.22 2.04 -1.05 -2.26 117.51 118.80 3n59 h ILE 36 Ca 0.20 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.60 3n59 h ILE 36 Cb 0.20 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3n59 h ILE 36 CO -0.02 0.45 0.54 -0.33 0.00 0.00 0.00 178.15 178.79 3n59 h GLU 37 N 0.20 1.13 -0.36 2.37 5.08 -1.10 0.34 114.58 122.25 3n59 h GLU 37 Ca 0.02 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3n59 h GLU 37 Cb 0.84 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3n59 h GLU 37 CO 0.06 0.77 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.68 3n59 h ARG 38 N 1.16 0.68 -0.35 2.33 2.43 -1.34 -2.29 114.38 117.01 3n59 h ARG 38 Ca 0.31 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3n59 h ARG 38 Cb -0.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3n59 h ARG 38 CO -0.06 0.83 -0.18 1.49 -1.51 0.00 0.00 179.97 180.54 3n59 h GLU 39 N 0.48 0.64 -0.31 0.20 4.57 -1.19 -2.96 114.58 116.01 3n59 h GLU 39 Ca 0.09 -0.22 -0.12 0.00 -1.18 0.00 0.00 59.36 57.93 3n59 h GLU 39 Cb 0.57 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3n59 h GLU 39 CO 0.03 0.78 -0.29 0.00 -1.18 0.00 0.00 179.01 178.35 3n59 h ALA 40 N 1.23 0.92 -0.23 2.92 0.00 -0.84 -2.96 119.26 120.30 3n59 h ALA 40 Ca 0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 3n59 h ALA 40 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3n59 h ALA 40 CO 0.04 0.62 -0.23 0.00 0.00 0.00 0.00 179.25 179.68 3n59 h ALA 41 N 1.13 1.19 0.00 0.00 0.00 -1.30 0.26 119.26 120.54 3n59 h ALA 41 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3n59 h ALA 41 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3n59 h ALA 41 CO 0.06 0.52 0.00 0.93 0.00 0.00 0.00 179.25 180.76 3n59 h GLU 42 N 0.37 0.00 0.00 0.00 5.08 -1.37 -3.02 114.58 115.64 3n59 h GLU 42 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3n59 h GLU 42 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3n59 h GLU 42 CO 0.04 0.00 -0.95 1.28 -1.00 0.00 0.00 179.01 178.39 3n59 n LEU 43 N -3.07 0.91 -0.36 1.33 4.77 -0.98 -4.98 117.00 114.62 3n59 n LEU 43 Ca 0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3n59 n LEU 43 Cb 0.36 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3n59 n LEU 43 CO 0.29 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3n59 n GLY 44 N 1.50 0.96 3.26 -0.72 0.00 -0.77 -4.99 105.19 104.43 3n59 n GLY 44 Ca 0.04 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.72 2.45 -0.21 0.99 1.43 0.84 -4.66 118.68 118.80 3n59 s LEU 45 Ca 0.00 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.15 3n59 s LEU 45 Cb 0.00 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 3n59 s LEU 45 CO 0.00 -0.18 0.06 -1.59 0.23 0.00 0.00 176.35 174.87 3n59 s LYS 46 N -3.04 3.80 -0.20 1.70 0.00 -0.73 -3.59 119.74 117.68 3n59 s LYS 46 Ca 0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 55.97 55.62 3n59 s LYS 46 Cb -0.03 -3.23 -0.03 0.00 0.00 0.00 0.00 37.83 34.54 3n59 s LYS 46 CO 0.03 0.07 0.03 0.00 0.00 0.00 0.00 175.35 175.48 3n59 s ALA 47 N 0.91 3.17 -0.37 0.59 0.00 -1.26 -0.37 121.76 124.43 3n59 s ALA 47 Ca 0.03 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 3n59 s ALA 47 Cb -0.14 -1.86 0.06 0.00 0.00 0.00 0.00 23.12 21.18 3n59 s ALA 47 CO 0.03 -0.08 0.16 0.08 0.00 0.00 0.00 175.76 175.95 3n59 s VAL 48 N 0.87 3.90 -0.25 0.00 1.01 -0.63 -4.88 120.40 120.41 3n59 s VAL 48 Ca 0.02 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 60.64 3n59 s VAL 48 Cb -0.14 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3n59 s VAL 48 CO 0.02 -0.32 0.08 -0.69 0.00 0.00 0.00 175.10 174.19 3n59 s VAL 49 N 1.39 4.35 0.03 2.92 1.01 -1.26 -0.40 120.40 128.44 3n59 s VAL 49 Ca 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3n59 s VAL 49 Cb -0.21 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3n59 s VAL 49 CO 0.02 0.32 -0.06 -0.13 0.00 0.00 0.00 175.10 175.25 3n59 s ARG 50 N 1.62 0.45 0.01 2.72 0.52 -0.44 -5.00 118.95 118.81 3n59 s ARG 50 Ca 0.06 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 3n59 s ARG 50 Cb -0.15 -0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.12 3n59 s ARG 50 CO 0.04 0.03 -0.11 -1.14 0.02 0.00 0.00 175.30 174.14 3n59 s GLN 51 N -1.40 0.81 -0.12 3.54 -0.44 -1.26 -1.04 119.66 119.74 3n59 s GLN 51 Ca -0.10 -0.46 -0.19 0.00 -2.50 0.00 0.00 55.36 52.10 3n59 s GLN 51 Cb -0.09 -0.77 0.05 0.00 -1.64 0.00 0.00 33.01 30.55 3n59 s GLN 51 CO -0.00 0.20 0.48 0.45 0.50 0.00 0.00 175.29 176.93 3n59 s SER 52 N -0.51 -0.47 0.00 6.67 0.15 -0.72 -4.98 113.70 113.84 3n59 s SER 52 Ca 0.02 0.74 0.26 0.00 0.70 0.00 0.00 55.95 57.68 3n59 s SER 52 Cb -0.05 0.78 0.67 0.00 -1.71 0.00 0.00 66.02 65.70 3n59 s SER 52 CO 0.00 -0.31 1.52 0.47 1.20 0.00 0.00 173.24 176.12 3n59 n ASP 53 N 2.14 0.57 -4.63 5.45 8.00 -1.26 -2.67 116.55 124.16 3n59 n ASP 53 Ca -0.16 -0.35 -0.40 0.00 0.71 0.00 0.00 54.79 54.59 3n59 n ASP 53 Cb 0.56 0.14 -0.07 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.86 6.52 0.21 -2.24 0.15 -1.26 -4.68 113.70 109.55 3n59 s SER 54 Ca 0.15 0.63 -0.09 0.00 0.70 0.00 0.00 55.95 57.35 3n59 s SER 54 Cb 0.18 -2.30 0.17 0.00 -1.71 0.00 0.00 66.02 62.35 3n59 s SER 54 CO 0.63 -0.29 1.83 -0.08 1.20 0.00 0.00 173.24 176.54 3n59 h GLU 55 N 7.81 1.11 -0.99 5.44 4.81 -2.00 -2.03 114.58 128.74 3n59 h GLU 55 Ca -0.30 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3n59 h GLU 55 Cb 1.14 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 3n59 h GLU 55 CO 0.74 0.82 0.65 0.00 -0.73 0.00 0.00 179.01 180.50 3n59 h ALA 56 N 1.23 1.29 -0.52 2.92 0.00 -2.00 -1.40 119.26 120.78 3n59 h ALA 56 Ca 0.28 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3n59 h ALA 56 Cb 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3n59 h ALA 56 CO -0.04 0.60 -0.09 0.37 0.00 0.00 0.00 179.25 180.08 3n59 h GLN 57 N 1.30 0.98 -0.64 0.00 5.75 -1.89 -2.53 115.11 118.09 3n59 h GLN 57 Ca 0.38 -0.36 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3n59 h GLN 57 Cb -0.08 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 3n59 h GLN 57 CO -0.10 1.03 0.27 -0.07 -2.65 0.00 0.00 178.83 177.31 3n59 h LEU 58 N 0.85 0.87 -0.80 -2.39 3.38 -0.94 -2.41 115.31 113.87 3n59 h LEU 58 Ca 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3n59 h LEU 58 Cb 0.65 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3n59 h LEU 58 CO 0.04 0.79 0.45 -0.07 0.09 0.00 0.00 178.44 179.74 3n59 h LEU 59 N 0.89 0.99 -0.53 1.67 3.38 -1.20 -2.28 115.31 118.23 3n59 h LEU 59 Ca 0.21 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3n59 h LEU 59 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3n59 h LEU 59 CO -0.02 0.79 0.33 -0.78 0.09 0.00 0.00 178.44 178.85 3n59 h ASP 60 N 1.11 0.63 0.23 -0.43 -0.00 -1.19 0.13 116.42 116.89 3n59 h ASP 60 Ca 0.28 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.03 57.21 3n59 h ASP 60 Cb 0.01 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.18 3n59 h ASP 60 CO -0.05 0.49 -0.25 -0.50 -0.00 0.00 0.00 179.24 178.93 3n59 h TRP 61 N 0.71 0.04 -0.12 0.28 6.55 -1.23 -2.15 115.95 120.03 3n59 h TRP 61 Ca 0.19 -0.01 -0.16 0.00 0.95 0.00 0.00 58.89 59.87 3n59 h TRP 61 Cb -0.03 -0.01 0.01 0.00 -0.86 0.00 0.00 29.16 28.27 3n59 h TRP 61 CO -0.03 0.28 -0.54 0.82 -1.05 0.00 0.00 178.44 177.92 3n59 h ILE 62 N 0.03 1.35 -0.66 1.49 1.08 -0.89 -2.89 117.51 117.02 3n59 h ILE 62 Ca 0.00 -1.84 0.03 0.00 -0.39 0.00 0.00 64.86 62.67 3n59 h ILE 62 Cb 0.46 2.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 3n59 h ILE 62 CO 0.03 0.56 0.41 0.45 -0.69 0.00 0.00 178.15 178.91 3n59 h HIS 63 N 0.21 0.76 -0.42 1.37 3.86 -0.65 -0.60 115.15 119.69 3n59 h HIS 63 Ca -0.03 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 3n59 h HIS 63 Cb 1.18 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 3n59 h HIS 63 CO 0.11 0.42 -0.07 1.96 0.86 0.00 0.00 177.93 181.21 3n59 h GLN 64 N 0.79 0.72 -0.23 2.45 4.20 -1.47 -1.96 115.11 119.60 3n59 h GLN 64 Ca 0.27 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 3n59 h GLN 64 Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3n59 h GLN 64 CO -0.12 0.78 -0.36 0.00 -0.67 0.00 0.00 178.83 178.45 3n59 h ALA 65 N 1.27 0.95 -0.19 3.87 0.00 -1.18 -1.13 119.26 122.83 3n59 h ALA 65 Ca 0.12 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3n59 h ALA 65 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3n59 h ALA 65 CO 0.03 0.62 -0.45 0.00 0.00 0.00 0.00 179.25 179.45 3n59 h ALA 66 N 1.19 0.86 -0.19 0.00 0.00 -0.87 -0.35 119.26 119.89 3n59 h ALA 66 Ca 0.04 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 3n59 h ALA 66 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3n59 h ALA 66 CO 0.07 0.65 -0.45 -0.44 0.00 0.00 0.00 179.25 179.08 3n59 h ASP 67 N 0.39 0.73 0.31 0.00 3.32 -1.20 -3.20 116.42 116.78 3n59 h ASP 67 Ca 0.03 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3n59 h ASP 67 Cb 0.94 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3n59 h ASP 67 CO 0.08 1.16 -0.06 0.00 -1.72 0.00 0.00 179.24 178.71 3n59 n ALA 68 N -2.53 2.67 -3.76 3.45 0.00 -0.44 -4.93 120.51 114.96 3n59 n ALA 68 Ca -0.06 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 3n59 n ALA 68 Cb 0.57 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.97 -1.69 -2.78 0.00 0.00 -0.50 -5.00 120.51 109.58 3n59 n ALA 69 Ca 0.17 0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 3n59 n ALA 69 Cb 0.24 -3.18 -0.08 0.00 0.00 0.00 0.00 19.45 16.44 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 -6.22 3.16 0.71 0.00 2.02 -0.26 -4.63 118.70 113.48 3n59 s GLU 70 Ca 0.29 -0.34 -0.16 0.00 0.02 0.00 0.00 54.97 54.79 3n59 s GLU 70 Cb -0.14 -2.94 0.03 0.00 0.10 0.00 0.00 34.13 31.17 3n59 s GLU 70 CO 0.81 0.71 1.23 -2.14 0.02 0.00 0.00 175.26 175.89 3n59 s PRO 71 N -1.19 2.25 -0.07 0.39 0.02 -1.26 -4.67 135.00 130.47 3n59 s PRO 71 Ca 0.17 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.04 3n59 s PRO 71 Cb -0.12 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.59 3n59 s PRO 71 CO 0.06 -1.77 -0.06 0.08 -0.33 0.00 0.00 177.00 174.98 3n59 s VAL 72 N -1.82 0.77 -0.35 3.83 1.01 -0.78 -1.91 120.40 121.16 3n59 s VAL 72 Ca 0.77 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 3n59 s VAL 72 Cb -0.31 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.27 3n59 s VAL 72 CO 0.43 0.30 0.22 -0.63 0.00 0.00 0.00 175.10 175.42 3n59 s ILE 73 N 1.27 4.90 -0.13 2.22 1.01 0.54 -0.52 121.20 130.50 3n59 s ILE 73 Ca -0.05 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3n59 s ILE 73 Cb -0.14 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3n59 s ILE 73 CO -0.02 -0.10 -0.21 -0.22 0.00 0.00 0.00 174.94 174.38 3n59 s LEU 74 N 1.64 2.19 -0.42 2.97 2.96 0.70 -0.79 118.68 127.94 3n59 s LEU 74 Ca 0.04 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 3n59 s LEU 74 Cb -0.18 -1.46 0.11 0.00 0.50 0.00 0.00 46.19 45.16 3n59 s LEU 74 CO 0.08 0.12 0.15 0.21 -1.32 0.00 0.00 176.35 175.59 3n59 s ASN 75 N 0.60 4.71 0.00 3.68 3.84 0.05 -0.52 114.94 127.31 3n59 s ASN 75 Ca -0.12 -2.44 0.30 0.00 0.21 0.00 0.00 52.86 50.81 3n59 s ASN 75 Cb -0.16 -1.67 1.48 0.00 -0.55 0.00 0.00 41.25 40.35 3n59 s ASN 75 CO 0.03 -0.35 2.03 0.00 -2.79 0.00 0.00 177.10 176.02 3n59 n ALA 76 N 3.90 2.50 -0.74 1.71 0.00 -1.26 0.10 120.51 126.72 3n59 n ALA 76 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3n59 n ALA 76 Cb 0.39 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.30 2.72 0.27 0.00 0.00 -1.26 -2.51 105.19 105.71 3n59 n GLY 77 Ca 0.14 -0.28 0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 1.95 -0.02 0.00 -1.95 -2.87 103.07 100.18 3n59 h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n59 h GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3n59 n LEU 79 N -3.18 0.00 -0.08 3.11 4.77 -1.04 -2.82 117.00 117.76 3n59 n LEU 79 Ca 0.00 0.48 -0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3n59 n LEU 79 Cb 0.31 -0.48 0.28 0.00 -2.33 0.00 0.00 43.42 41.20 3n59 n LEU 79 CO 0.28 -0.18 1.04 0.74 -1.33 0.00 0.00 177.39 177.94 3n59 h THR 80 N 0.00 1.19 -0.01 -5.08 2.02 -1.65 -1.77 112.91 107.61 3n59 h THR 80 Ca 0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3n59 h THR 80 Cb 0.30 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3n59 h THR 80 CO 0.00 0.23 -0.54 1.41 0.37 0.00 0.00 175.52 176.99 3n59 n HIS 81 N -4.34 0.00 0.00 3.16 8.25 -1.13 -1.66 115.22 119.51 3n59 n HIS 81 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3n59 n HIS 81 Cb 0.17 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3n59 n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n59 n THR 82 N -0.43 0.00 -3.48 1.59 -2.24 -1.16 -4.82 114.28 103.74 3n59 n THR 82 Ca 0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3n59 n THR 82 Cb 0.42 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 3n59 n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n59 s SER 83 N -1.71 6.08 0.10 3.42 0.15 -0.68 -4.89 113.70 116.17 3n59 s SER 83 Ca 0.00 -0.81 -0.02 0.00 0.70 0.00 0.00 55.95 55.81 3n59 s SER 83 Cb 0.00 -2.15 -0.20 0.00 -1.71 0.00 0.00 66.02 61.96 3n59 s SER 83 CO 0.00 -0.41 1.22 0.58 1.20 0.00 0.00 173.24 175.83 3n59 h VAL 84 N 5.61 1.50 -0.65 4.45 2.07 -1.96 -3.14 116.25 124.13 3n59 h VAL 84 Ca -0.28 -2.92 0.10 0.00 0.82 0.00 0.00 66.70 64.42 3n59 h VAL 84 Cb 1.13 2.78 -0.07 0.00 -1.52 0.00 0.00 31.29 33.60 3n59 h VAL 84 CO 0.71 0.85 0.28 0.00 0.02 0.00 0.00 177.57 179.43 3n59 h ALA 85 N 0.70 0.87 -0.31 1.67 0.00 -1.98 0.11 119.26 120.32 3n59 h ALA 85 Ca -0.10 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3n59 h ALA 85 Cb 1.82 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 3n59 h ALA 85 CO 0.18 -0.14 -0.42 1.25 0.00 0.00 0.00 179.25 180.12 3n59 h LEU 86 N 0.49 0.83 0.04 0.00 5.85 -1.94 -2.32 115.31 118.26 3n59 h LEU 86 Ca 0.33 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3n59 h LEU 86 Cb 0.38 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3n59 h LEU 86 CO -0.29 1.14 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.81 3n59 h ARG 87 N 0.63 -0.10 -0.73 1.25 2.43 -1.32 -1.47 114.38 115.07 3n59 h ARG 87 Ca 0.05 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3n59 h ARG 87 Cb 0.98 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 3n59 h ARG 87 CO 0.09 -0.07 0.48 -0.44 -1.51 0.00 0.00 179.97 178.53 3n59 h ASP 88 N -0.10 0.80 -0.42 -3.80 3.32 -0.77 -1.25 116.42 114.19 3n59 h ASP 88 Ca 0.00 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3n59 h ASP 88 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3n59 h ASP 88 CO -0.02 0.56 -0.11 0.00 -1.72 0.00 0.00 179.24 177.95 3n59 h ALA 89 N 1.56 0.58 0.00 3.45 0.00 -1.21 -2.99 119.26 120.65 3n59 h ALA 89 Ca 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3n59 h ALA 89 Cb -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3n59 h ALA 89 CO -0.07 0.47 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 3n59 h ALA 91 N 1.99 1.13 0.00 0.00 0.00 -1.09 -2.71 119.26 118.58 3n59 h ALA 91 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3n59 h ALA 91 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3n59 h ALA 91 CO 0.00 0.18 -0.30 0.93 0.00 0.00 0.00 179.25 180.06 3n59 h GLU 92 N 0.00 0.00 -6.47 0.00 5.08 -1.55 -3.45 114.58 108.19 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 0.51 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.79 3n59 h GLU 92 CO 0.02 0.30 1.13 -0.51 -1.00 0.00 0.00 179.01 178.95 3n59 s LEU 93 N -7.41 4.40 -0.03 1.33 1.43 -1.03 -4.90 118.68 112.48 3n59 s LEU 93 Ca -0.01 2.72 -0.00 0.00 -1.03 0.00 0.00 54.13 55.80 3n59 s LEU 93 Cb 0.12 -3.56 -0.26 0.00 0.03 0.00 0.00 46.19 42.52 3n59 s LEU 93 CO 0.67 -1.01 0.74 0.77 0.23 0.00 0.00 176.35 177.75 3n59 h SER 94 N 9.01 0.31 -4.31 2.29 4.64 -1.88 -3.47 113.55 120.14 3n59 h SER 94 Ca -0.46 -0.50 -0.50 0.00 -0.47 0.00 0.00 61.79 59.86 3n59 h SER 94 Cb 1.22 -0.10 0.05 0.00 -0.31 0.00 0.00 62.40 63.26 3n59 h SER 94 CO 0.95 1.43 0.41 0.00 -0.87 0.00 0.00 176.83 178.74 3n59 s ALA 95 N -2.61 3.09 0.62 5.18 0.00 -1.26 -5.02 121.76 121.76 3n59 s ALA 95 Ca -0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 3n59 s ALA 95 Cb 0.07 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3n59 s ALA 95 CO 0.83 -0.56 1.13 -2.30 0.00 0.00 0.00 175.76 174.86 3n59 n PRO 96 N -2.41 1.04 -4.12 0.00 -0.02 -1.26 -4.76 135.00 123.47 3n59 n PRO 96 Ca 0.06 0.41 -0.28 0.00 -2.02 0.00 0.00 63.50 61.67 3n59 n PRO 96 Cb 0.54 -2.35 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 3n59 n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n59 s LEU 97 N -3.07 1.50 -0.24 2.45 2.96 -1.26 -1.86 118.68 119.16 3n59 s LEU 97 Ca 0.78 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 54.26 3n59 s LEU 97 Cb -0.40 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 3n59 s LEU 97 CO 0.44 -0.06 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.77 3n59 s ILE 98 N 1.39 3.49 0.01 6.68 -1.09 0.33 0.21 121.20 132.22 3n59 s ILE 98 Ca 0.01 -0.54 -0.27 0.00 -2.23 0.00 0.00 60.65 57.62 3n59 s ILE 98 Cb -0.13 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3n59 s ILE 98 CO -0.07 0.35 0.83 -0.70 -1.23 0.00 0.00 174.94 174.12 3n59 s GLU 99 N 1.48 4.53 -0.04 2.79 2.12 -0.27 -0.22 118.70 129.09 3n59 s GLU 99 Ca 0.05 1.16 0.03 0.00 0.36 0.00 0.00 54.97 56.57 3n59 s GLU 99 Cb -0.15 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3n59 s GLU 99 CO -0.02 0.13 -0.13 0.08 -0.54 0.00 0.00 175.26 174.78 3n59 s VAL 100 N 0.44 1.11 -0.05 3.70 1.01 0.33 -0.69 120.40 126.25 3n59 s VAL 100 Ca 0.43 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3n59 s VAL 100 Cb -0.20 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3n59 s VAL 100 CO 0.24 0.33 -0.14 -1.00 0.00 0.00 0.00 175.10 174.53 3n59 s HIS 101 N 0.27 1.51 -0.03 5.22 3.76 -0.33 -4.24 115.29 121.45 3n59 s HIS 101 Ca -0.06 -0.49 -0.25 0.00 -0.15 0.00 0.00 55.06 54.11 3n59 s HIS 101 Cb -0.12 -1.06 -0.20 0.00 1.11 0.00 0.00 32.58 32.32 3n59 s HIS 101 CO 0.02 -0.21 1.16 0.82 -0.85 0.00 0.00 174.74 175.68 3n59 h ILE 102 N 5.58 1.27 -3.30 0.60 2.04 -1.86 -2.23 117.51 119.60 3n59 h ILE 102 Ca -0.31 -1.18 -0.47 0.00 1.00 0.00 0.00 64.86 63.89 3n59 h ILE 102 Cb 1.18 2.03 0.04 0.00 -0.74 0.00 0.00 36.82 39.34 3n59 h ILE 102 CO 0.48 0.29 0.06 -0.94 0.00 0.00 0.00 178.15 178.04 3n59 s SER 103 N -5.64 5.81 -0.60 1.72 1.04 -1.26 -1.48 113.70 113.29 3n59 s SER 103 Ca -0.15 0.60 -0.27 0.00 0.48 0.00 0.00 55.95 56.60 3n59 s SER 103 Cb 0.01 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.37 3n59 s SER 103 CO 0.63 -0.83 1.67 0.21 0.98 0.00 0.00 173.24 175.90 3n59 s ASN 104 N -4.23 5.64 0.09 7.02 3.84 -1.26 -2.75 114.94 123.28 3n59 s ASN 104 Ca 0.50 0.26 0.16 0.00 0.21 0.00 0.00 52.86 53.99 3n59 s ASN 104 Cb -0.10 -2.54 0.67 0.00 -0.55 0.00 0.00 41.25 38.73 3n59 s ASN 104 CO 0.42 -2.11 1.49 0.55 -2.79 0.00 0.00 177.10 174.66 3n59 n VAL 105 N 7.01 1.07 1.15 -5.21 3.14 -1.26 -2.04 118.33 122.20 3n59 n VAL 105 Ca 0.16 0.30 0.12 0.00 -2.96 0.00 0.00 64.34 61.96 3n59 n VAL 105 Cb 0.51 -1.14 0.21 0.00 -1.06 0.00 0.00 33.84 32.36 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 -1.74 0.00 -0.40 1.45 8.25 -1.26 -4.15 115.22 117.37 3n59 n HIS 106 Ca 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 3n59 n HIS 106 Cb 0.16 -0.05 0.27 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.09 2.50 -2.87 -1.41 0.00 -0.87 -4.95 120.51 112.82 3n59 n ALA 107 Ca 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.18 3n59 n ALA 107 Cb 0.42 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 1.03 0.72 -1.80 0.00 1.74 -1.26 -5.11 116.66 111.98 3n59 n ARG 108 Ca 0.20 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.97 3n59 n ARG 108 Cb 0.64 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.11 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 4.24 3.11 0.25 5.56 8.01 -1.26 -4.99 118.70 133.63 3n59 s GLU 109 Ca 0.00 1.08 -0.00 0.00 0.01 0.00 0.00 54.97 56.06 3n59 s GLU 109 Cb 0.00 -2.01 0.32 0.00 -4.31 0.00 0.00 34.13 28.13 3n59 s GLU 109 CO 0.00 -0.97 1.69 0.93 0.01 0.00 0.00 175.26 176.92 3n59 h GLU 110 N -0.16 0.59 0.00 1.61 4.39 -1.97 -3.04 114.58 116.01 3n59 h GLU 110 Ca -0.45 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.02 3n59 h GLU 110 Cb 1.21 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3n59 h GLU 110 CO 0.57 0.79 0.00 0.27 -1.16 0.00 0.00 179.01 179.47 3n59 h PHE 111 N 0.52 0.00 0.00 4.33 -5.15 -1.97 -1.58 116.94 113.09 3n59 h PHE 111 Ca 0.08 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.85 3n59 h PHE 111 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.86 3n59 h PHE 111 CO 0.03 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.88 3n59 n ARG 112 N -2.79 0.01 -0.05 6.09 1.74 -1.15 -3.55 116.66 116.96 3n59 n ARG 112 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3n59 n ARG 112 Cb 0.22 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.50 1.55 -4.87 5.56 1.74 -0.59 -4.73 116.66 113.82 3n59 n ARG 113 Ca 0.07 -0.82 -0.33 0.00 -0.77 0.00 0.00 57.85 56.00 3n59 n ARG 113 Cb 0.34 -1.39 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 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 2.74 -0.05 -1.55 2.46 -1.23 -5.09 115.29 110.70 3n59 s HIS 114 Ca 0.33 -0.59 0.03 0.00 0.47 0.00 0.00 55.06 55.31 3n59 s HIS 114 Cb 0.17 -1.77 0.00 0.00 -0.13 0.00 0.00 32.58 30.85 3n59 s HIS 114 CO 0.27 -0.15 -0.15 0.45 -2.47 0.00 0.00 174.74 172.69 3n59 s SER 115 N 0.09 1.94 0.43 9.88 0.15 -1.26 -4.41 113.70 120.53 3n59 s SER 115 Ca -0.07 -0.32 0.24 0.00 0.70 0.00 0.00 55.95 56.50 3n59 s SER 115 Cb -0.15 -0.67 0.54 0.00 -1.71 0.00 0.00 66.02 64.02 3n59 s SER 115 CO 0.05 0.10 1.67 1.88 1.20 0.00 0.00 173.24 178.14 3n59 h TYR 116 N 6.53 0.00 0.19 3.44 0.05 -1.63 -3.36 116.97 122.19 3n59 h TYR 116 Ca -0.31 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.13 3n59 h TYR 116 Cb 1.18 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.93 3n59 h TYR 116 CO 0.46 0.11 -1.64 -0.07 -1.05 0.00 0.00 178.16 175.97 3n59 h LEU 117 N 0.00 0.63 -0.64 3.88 3.38 -1.91 -3.40 115.31 117.25 3n59 h LEU 117 Ca -0.00 -0.93 0.13 0.00 0.09 0.00 0.00 57.88 57.17 3n59 h LEU 117 Cb 0.95 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 3n59 h LEU 117 CO 0.01 1.75 -0.20 0.28 0.09 0.00 0.00 178.44 180.37 3n59 h SER 118 N 0.05 -0.73 -0.97 -0.43 0.02 -1.93 -0.67 113.55 108.88 3n59 h SER 118 Ca -0.32 0.20 0.10 0.00 -0.84 0.00 0.00 61.79 60.93 3n59 h SER 118 Cb 2.06 0.45 -0.08 0.00 0.14 0.00 0.00 62.40 64.96 3n59 h SER 118 CO 0.18 -0.24 0.61 -0.65 -1.14 0.00 0.00 176.83 175.59 3n59 h PRO 119 N -0.04 0.99 0.00 3.45 0.11 -1.80 -2.62 132.00 132.10 3n59 h PRO 119 Ca 0.30 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3n59 h PRO 119 Cb 0.50 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3n59 h PRO 119 CO -0.68 0.66 -0.74 0.44 -0.21 0.00 0.00 178.00 177.46 3n59 n ILE 120 N -4.60 0.28 -1.51 4.15 -5.35 -0.81 -4.91 119.36 106.61 3n59 n ILE 120 Ca 0.17 -0.25 -0.32 0.00 -0.27 0.00 0.00 62.75 62.08 3n59 n ILE 120 Cb 0.29 -0.01 0.07 0.00 -1.74 0.00 0.00 39.64 38.24 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 -3.17 2.41 0.03 -1.28 0.00 -0.32 -4.92 121.76 114.51 3n59 s ALA 121 Ca 0.06 0.33 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 3n59 s ALA 121 Cb 0.14 -3.27 -0.17 0.00 0.00 0.00 0.00 23.12 19.82 3n59 s ALA 121 CO 0.74 -1.48 1.25 1.15 0.00 0.00 0.00 175.76 177.43 3n59 h THR 122 N -0.62 1.38 -3.18 0.00 2.02 -0.53 -3.48 112.91 108.50 3n59 h THR 122 Ca -0.45 -1.64 0.01 0.00 0.77 0.00 0.00 66.41 65.10 3n59 h THR 122 Cb 1.23 2.14 -0.09 0.00 -1.74 0.00 0.00 68.15 69.69 3n59 h THR 122 CO 0.53 0.48 0.12 -0.83 0.37 0.00 0.00 175.52 176.19 3n59 s GLY 123 N -3.73 -0.13 -0.07 2.16 0.00 -1.17 -5.03 107.32 99.35 3n59 s GLY 123 Ca -0.14 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.40 3n59 s GLY 123 CO 0.79 -0.16 -0.06 0.14 0.00 0.00 0.00 173.10 173.80 3n59 s VAL 124 N -3.88 0.76 -0.18 1.40 1.01 -1.26 -1.11 120.40 117.13 3n59 s VAL 124 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 3n59 s VAL 124 Cb -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3n59 s VAL 124 CO -0.00 0.29 -0.06 -0.63 0.00 0.00 0.00 175.10 174.70 3n59 s ILE 125 N 1.23 3.47 -0.02 2.22 1.01 0.14 -4.98 121.20 124.26 3n59 s ILE 125 Ca -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3n59 s ILE 125 Cb -0.14 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.81 3n59 s ILE 125 CO -0.02 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 174.63 3n59 s VAL 126 N 0.86 0.59 -0.02 2.92 1.01 -1.26 -1.18 120.40 123.32 3n59 s VAL 126 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3n59 s VAL 126 Cb -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.69 3n59 s VAL 126 CO 0.01 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3n59 n GLY 127 N 3.36 0.47 1.63 4.51 0.00 -0.84 -4.81 105.19 109.51 3n59 n GLY 127 Ca -0.18 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.02 5.18 0.00 0.99 4.77 -1.21 -4.62 117.00 122.09 3n59 n LEU 128 Ca -0.00 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 3n59 n LEU 128 Cb 0.03 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3n59 n LEU 128 CO 0.00 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3n59 n GLY 129 N 0.52 0.91 0.36 -0.72 0.00 -0.55 -3.19 105.19 102.53 3n59 n GLY 129 Ca 0.26 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.64 3n59 n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3n59 h ILE 130 N 0.00 1.09 0.00 -0.61 5.03 -1.96 -2.51 117.51 118.54 3n59 h ILE 130 Ca 0.00 -0.35 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 3n59 h ILE 130 Cb 0.00 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 33.77 3n59 h ILE 130 CO 0.00 0.19 0.00 -0.61 -0.68 0.00 0.00 178.15 177.05 3n59 h GLN 131 N 1.02 0.00 -0.79 2.37 4.15 -1.97 -2.22 115.11 117.66 3n59 h GLN 131 Ca 0.37 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.88 3n59 h GLN 131 Cb 0.15 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 3n59 h GLN 131 CO -0.13 0.00 0.52 0.78 -1.93 0.00 0.00 178.83 178.07 3n59 h GLY 132 N 0.75 1.05 0.98 2.39 0.00 -1.41 -0.03 103.07 106.81 3n59 h GLY 132 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3n59 h GLY 132 CO 0.00 0.19 0.05 -0.97 0.00 0.00 0.00 176.54 175.81 3n59 h TYR 133 N 0.75 0.87 -0.40 5.60 -1.99 -1.60 -2.53 116.97 117.67 3n59 h TYR 133 Ca 0.36 -0.13 -0.13 0.00 2.00 0.00 0.00 58.73 60.83 3n59 h TYR 133 Cb 0.41 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 3n59 h TYR 133 CO -0.00 0.81 -0.26 -0.07 -0.00 0.00 0.00 178.16 178.64 3n59 h LEU 134 N 0.68 0.85 -1.00 3.88 3.38 -1.39 -2.32 115.31 119.39 3n59 h LEU 134 Ca 0.14 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3n59 h LEU 134 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3n59 h LEU 134 CO 0.01 1.06 -0.48 -0.07 0.09 0.00 0.00 178.44 179.06 3n59 h LEU 135 N 0.71 0.00 -0.63 1.67 3.38 -1.08 -2.68 115.31 116.69 3n59 h LEU 135 Ca 0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3n59 h LEU 135 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3n59 h LEU 135 CO 0.07 0.48 -0.42 0.00 0.09 0.00 0.00 178.44 178.66 3n59 h ALA 136 N 1.52 0.81 -0.55 1.53 0.00 -1.16 -2.75 119.26 118.66 3n59 h ALA 136 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3n59 h ALA 136 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3n59 h ALA 136 CO 0.06 0.65 0.08 -0.07 0.00 0.00 0.00 179.25 179.98 3n59 h LEU 137 N 0.49 0.84 -0.72 0.00 3.38 -1.24 -3.10 115.31 114.96 3n59 h LEU 137 Ca 0.04 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 3n59 h LEU 137 Cb 0.93 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3n59 h LEU 137 CO 0.08 0.85 -0.31 -0.09 0.09 0.00 0.00 178.44 179.06 3n59 h ARG 138 N 0.84 0.63 -0.56 1.13 2.43 -1.33 -2.16 114.38 115.36 3n59 h ARG 138 Ca 0.17 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 3n59 h ARG 138 Cb 0.38 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3n59 h ARG 138 CO 0.01 0.87 0.25 -0.92 -1.51 0.00 0.00 179.97 178.67 3n59 h TYR 139 N 0.54 0.83 -0.19 2.20 3.20 -1.44 -2.45 116.97 119.65 3n59 h TYR 139 Ca 0.06 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 3n59 h TYR 139 Cb 0.81 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3n59 h TYR 139 CO 0.04 0.65 -0.51 -0.07 -1.64 0.00 0.00 178.16 176.62 3n59 h LEU 140 N 0.76 0.58 -0.97 2.82 3.38 -1.46 -2.77 115.31 117.66 3n59 h LEU 140 Ca 0.19 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3n59 h LEU 140 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3n59 h LEU 140 CO -0.02 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.50 3n59 h ALA 141 N 1.02 1.00 -0.01 1.53 0.00 -1.34 -2.94 119.26 118.53 3n59 h ALA 141 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3n59 h ALA 141 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3n59 h ALA 141 CO 0.10 0.00 -0.32 -1.91 0.00 0.00 0.00 179.25 177.11 3n59 n GLU 142 N -2.88 0.86 0.00 0.00 4.07 -0.93 -5.09 120.64 116.67 3n59 n GLU 142 Ca 0.02 -0.56 0.02 0.00 -0.06 0.00 0.00 57.16 56.57 3n59 n GLU 142 Cb 0.34 -1.49 0.01 0.00 -0.06 0.00 0.00 31.44 30.24 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79