#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 5.07 -0.15 1.96 -1.09 -1.26 -1.14 121.20 124.59 3n59 s ILE 4 Ca 0.00 1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 59.52 3n59 s ILE 4 Cb 0.00 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 3n59 s ILE 4 CO 0.00 0.16 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.06 3n59 s VAL 5 N 1.62 2.97 -0.27 2.92 1.01 0.56 -4.11 120.40 125.09 3n59 s VAL 5 Ca 0.27 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3n59 s VAL 5 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3n59 s VAL 5 CO 0.11 0.51 0.40 0.20 0.00 0.00 0.00 175.10 176.31 3n59 s ASN 6 N 0.67 6.28 -0.33 3.32 0.01 -0.67 -1.41 114.94 122.81 3n59 s ASN 6 Ca -0.06 0.29 -0.12 0.00 -0.71 0.00 0.00 52.86 52.26 3n59 s ASN 6 Cb -0.15 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 3n59 s ASN 6 CO 0.02 -0.21 0.21 -0.69 -1.51 0.00 0.00 177.10 174.92 3n59 s VAL 7 N 2.11 5.08 -0.21 1.60 1.01 -0.58 0.31 120.40 129.72 3n59 s VAL 7 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3n59 s VAL 7 Cb -0.16 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3n59 s VAL 7 CO 0.10 0.01 -0.10 -0.63 0.00 0.00 0.00 175.10 174.48 3n59 s ILE 8 N 1.69 2.82 -0.16 2.22 1.01 0.26 -0.78 121.20 128.27 3n59 s ILE 8 Ca 0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 3n59 s ILE 8 Cb -0.17 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3n59 s ILE 8 CO 0.09 0.42 -0.02 0.20 0.00 0.00 0.00 174.94 175.63 3n59 s ASN 9 N 1.38 4.94 0.00 3.58 0.01 0.54 -1.04 114.94 124.35 3n59 s ASN 9 Ca 0.04 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 3n59 s ASN 9 Cb -0.14 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.72 3n59 s ASN 9 CO -0.07 0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 3n59 n GLY 10 N 3.47 0.57 3.67 0.66 0.00 0.11 -1.49 105.19 112.17 3n59 n GLY 10 Ca -0.17 -1.79 -0.45 0.00 0.00 0.00 0.00 46.02 43.61 3n59 n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n59 n PRO 11 N 0.00 1.99 -0.43 1.61 -0.02 -1.08 -2.86 135.00 134.20 3n59 n PRO 11 Ca 0.00 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3n59 n PRO 11 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3n59 n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3n59 n ASN 12 N 1.97 0.00 0.16 2.55 3.02 -1.26 -4.51 115.26 117.19 3n59 n ASN 12 Ca 0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 3n59 n ASN 12 Cb 0.32 -0.28 0.36 0.00 -0.61 0.00 0.00 39.78 39.56 3n59 n ASN 12 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n59 h LEU 13 N 0.00 0.00 0.00 3.41 3.38 -1.89 -2.42 115.31 117.79 3n59 h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n59 h LEU 13 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n59 h LEU 13 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3n59 n GLY 14 N 1.03 -0.83 1.08 0.83 0.00 -1.26 -3.26 105.19 102.78 3n59 n GLY 14 Ca 0.04 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.99 2.83 -1.74 1.61 5.12 -0.91 -4.76 116.66 117.81 3n59 n ARG 15 Ca 0.20 -2.44 -0.42 0.00 -1.93 0.00 0.00 57.85 53.26 3n59 n ARG 15 Cb 0.09 -1.47 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 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 1.16 4.35 0.00 0.55 4.77 -1.20 -3.53 117.00 123.09 3n59 n LEU 16 Ca 0.19 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 3n59 n LEU 16 Cb 0.56 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3n59 n LEU 16 CO 0.13 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3n59 n GLY 17 N 2.16 2.25 2.69 -0.72 0.00 -1.11 -3.83 105.19 106.63 3n59 n GLY 17 Ca 0.09 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 4.21 0.00 1.61 1.74 -1.23 -4.51 116.66 118.48 3n59 n ARG 18 Ca 0.00 -3.93 0.00 0.00 -0.77 0.00 0.00 57.85 53.15 3n59 n ARG 18 Cb 0.00 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.04 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 0.12 0.00 0.19 -0.13 0.00 -1.26 -4.99 105.19 99.13 3n59 n GLY 25 Ca 0.51 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.60 3n59 n GLY 25 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n59 h GLY 26 N 0.00 0.00 -4.88 -0.02 0.00 -1.97 -3.45 103.07 92.75 3n59 h GLY 26 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3n59 h GLY 26 CO 0.00 0.00 0.94 -1.59 0.00 0.00 0.00 176.54 175.89 3n59 s THR 27 N -3.62 3.14 0.65 4.70 2.01 -1.26 -4.47 115.64 116.79 3n59 s THR 27 Ca 0.00 0.62 -0.07 0.00 0.31 0.00 0.00 61.69 62.55 3n59 s THR 27 Cb 0.11 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.25 3n59 s THR 27 CO 0.68 0.00 0.97 0.42 -0.69 0.00 0.00 174.62 176.00 3n59 s THR 28 N 2.39 3.07 0.21 -0.82 -4.23 -1.26 -2.77 115.64 112.23 3n59 s THR 28 Ca 0.71 -0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 61.09 3n59 s THR 28 Cb -0.38 -3.27 0.12 0.00 1.34 0.00 0.00 72.50 70.30 3n59 s THR 28 CO 0.31 -0.29 1.73 -0.74 -0.54 0.00 0.00 174.62 175.08 3n59 h HIS 29 N -0.40 1.15 -0.61 3.99 6.17 -1.84 -0.10 115.15 123.51 3n59 h HIS 29 Ca -0.45 -0.14 0.03 0.00 0.71 0.00 0.00 60.37 60.53 3n59 h HIS 29 Cb 1.28 -0.32 -0.04 0.00 2.52 0.00 0.00 27.41 30.85 3n59 h HIS 29 CO 0.42 0.94 0.36 -0.44 0.71 0.00 0.00 177.93 179.92 3n59 h ASP 30 N 1.03 0.58 -0.36 3.26 3.32 -1.94 0.12 116.42 122.43 3n59 h ASP 30 Ca 0.21 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 3n59 h ASP 30 Cb 0.38 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3n59 h ASP 30 CO 0.00 0.40 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.54 3n59 h GLU 31 N 0.70 0.77 -0.38 3.56 5.08 -1.87 -2.46 114.58 119.99 3n59 h GLU 31 Ca 0.25 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3n59 h GLU 31 Cb 0.06 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3n59 h GLU 31 CO -0.12 0.81 0.10 1.25 -1.00 0.00 0.00 179.01 180.05 3n59 h LEU 32 N 0.71 0.56 -0.38 1.33 5.85 -0.33 -0.85 115.31 122.20 3n59 h LEU 32 Ca 0.13 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3n59 h LEU 32 Cb 0.51 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3n59 h LEU 32 CO 0.03 0.63 0.08 0.58 -0.34 0.00 0.00 178.44 179.42 3n59 h VAL 33 N 0.46 0.82 -0.61 1.05 2.07 -0.61 -0.99 116.25 118.43 3n59 h VAL 33 Ca 0.12 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3n59 h VAL 33 Cb 0.28 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3n59 h VAL 33 CO -0.00 0.04 0.24 0.00 0.02 0.00 0.00 177.57 177.87 3n59 h ALA 34 N 1.28 0.80 -0.76 1.67 0.00 -1.33 -2.00 119.26 118.92 3n59 h ALA 34 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3n59 h ALA 34 Cb 0.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3n59 h ALA 34 CO -0.23 0.42 0.44 -0.07 0.00 0.00 0.00 179.25 179.80 3n59 h LEU 35 N 0.86 0.93 -0.13 0.00 3.38 -0.68 -1.25 115.31 118.41 3n59 h LEU 35 Ca 0.20 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3n59 h LEU 35 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3n59 h LEU 35 CO -0.02 0.74 -0.02 0.40 0.09 0.00 0.00 178.44 179.63 3n59 h ILE 36 N 1.04 1.28 -0.84 1.22 2.04 -1.07 -2.48 117.51 118.71 3n59 h ILE 36 Ca 0.27 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.22 3n59 h ILE 36 Cb -0.00 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 3n59 h ILE 36 CO -0.05 0.27 0.53 -0.33 0.00 0.00 0.00 178.15 178.58 3n59 h GLU 37 N -0.05 0.99 -0.34 2.37 5.08 -1.27 0.97 114.58 122.33 3n59 h GLU 37 Ca 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3n59 h GLU 37 Cb 0.43 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3n59 h GLU 37 CO 0.01 0.66 0.12 -0.09 -1.00 0.00 0.00 179.01 178.71 3n59 h ARG 38 N 1.02 0.52 -0.11 2.33 2.43 -1.20 -2.02 114.38 117.34 3n59 h ARG 38 Ca 0.34 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 3n59 h ARG 38 Cb 0.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3n59 h ARG 38 CO -0.13 0.53 -0.49 1.49 -1.51 0.00 0.00 179.97 179.87 3n59 h GLU 39 N 0.40 0.29 -0.35 0.20 4.57 -1.16 -2.74 114.58 115.79 3n59 h GLU 39 Ca 0.11 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3n59 h GLU 39 Cb 0.22 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3n59 h GLU 39 CO -0.01 0.71 0.18 0.00 -1.18 0.00 0.00 179.01 178.71 3n59 h ALA 40 N 1.26 0.45 -0.62 2.92 0.00 -0.61 -2.55 119.26 120.11 3n59 h ALA 40 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3n59 h ALA 40 Cb 0.94 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3n59 h ALA 40 CO 0.08 -0.01 0.14 0.00 0.00 0.00 0.00 179.25 179.46 3n59 h ALA 41 N 1.03 1.08 0.00 0.00 0.00 -1.29 0.35 119.26 120.43 3n59 h ALA 41 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3n59 h ALA 41 Cb 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3n59 h ALA 41 CO -0.02 0.61 -0.16 1.49 0.00 0.00 0.00 179.25 181.18 3n59 h GLU 42 N 0.93 0.00 -0.02 0.00 4.81 -1.35 -1.66 114.58 117.30 3n59 h GLU 42 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3n59 h GLU 42 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3n59 h GLU 42 CO 0.00 0.16 -0.04 1.28 -0.73 0.00 0.00 179.01 179.68 3n59 n LEU 43 N -4.14 1.76 0.00 1.64 4.77 -0.88 -4.94 117.00 115.20 3n59 n LEU 43 Ca -0.02 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3n59 n LEU 43 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3n59 n LEU 43 CO 0.34 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3n59 n GLY 44 N 1.24 0.42 3.73 -0.72 0.00 -0.62 -4.96 105.19 104.27 3n59 n GLY 44 Ca 0.17 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 3n59 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n59 s LEU 45 N 0.00 2.99 -0.10 0.99 1.43 0.12 -4.63 118.68 119.48 3n59 s LEU 45 Ca 0.00 -1.18 0.02 0.00 -1.03 0.00 0.00 54.13 51.95 3n59 s LEU 45 Cb 0.00 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.94 3n59 s LEU 45 CO 0.00 -0.59 -0.17 -0.75 0.23 0.00 0.00 176.35 175.07 3n59 s LYS 46 N -3.90 2.39 -0.18 1.70 2.20 -0.29 -3.12 119.74 118.54 3n59 s LYS 46 Ca 0.37 -0.63 -0.06 0.00 -0.36 0.00 0.00 55.97 55.28 3n59 s LYS 46 Cb 0.04 -1.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.39 3n59 s LYS 46 CO 0.20 0.02 0.03 0.00 -0.36 0.00 0.00 175.35 175.25 3n59 s ALA 47 N 0.75 3.27 -0.44 3.13 0.00 -1.26 -0.33 121.76 126.89 3n59 s ALA 47 Ca -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 3n59 s ALA 47 Cb -0.16 -1.82 0.09 0.00 0.00 0.00 0.00 23.12 21.23 3n59 s ALA 47 CO 0.02 0.16 0.29 0.08 0.00 0.00 0.00 175.76 176.31 3n59 s VAL 48 N 0.43 4.28 -0.25 0.00 1.01 -0.50 -4.83 120.40 120.54 3n59 s VAL 48 Ca 0.01 -1.49 -0.13 0.00 0.00 0.00 0.00 61.98 60.37 3n59 s VAL 48 Cb -0.13 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3n59 s VAL 48 CO 0.01 -0.59 0.28 -0.69 0.00 0.00 0.00 175.10 174.11 3n59 s VAL 49 N 1.42 5.26 -0.00 2.92 1.01 -1.26 -1.53 120.40 128.22 3n59 s VAL 49 Ca 0.04 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3n59 s VAL 49 Cb -0.24 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 3n59 s VAL 49 CO 0.02 0.25 -0.03 -0.13 0.00 0.00 0.00 175.10 175.20 3n59 s ARG 50 N 1.58 0.30 -0.02 2.72 0.52 0.04 -5.00 118.95 119.09 3n59 s ARG 50 Ca 0.12 -0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.28 3n59 s ARG 50 Cb -0.15 -0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.01 3n59 s ARG 50 CO 0.08 0.06 -0.22 -1.14 0.02 0.00 0.00 175.30 174.11 3n59 s GLN 51 N -0.00 1.83 -0.07 3.54 -0.44 -1.26 -0.34 119.66 122.92 3n59 s GLN 51 Ca 0.00 -0.78 -0.13 0.00 -2.50 0.00 0.00 55.36 51.96 3n59 s GLN 51 Cb -0.02 -1.73 0.03 0.00 -1.64 0.00 0.00 33.01 29.64 3n59 s GLN 51 CO -0.00 0.45 0.32 0.45 0.50 0.00 0.00 175.29 177.00 3n59 s SER 52 N -0.44 -0.27 0.00 6.67 0.15 -0.55 -4.98 113.70 114.28 3n59 s SER 52 Ca 0.07 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.37 3n59 s SER 52 Cb -0.09 0.50 0.88 0.00 -1.71 0.00 0.00 66.02 65.60 3n59 s SER 52 CO -0.00 -0.27 1.65 0.47 1.20 0.00 0.00 173.24 176.28 3n59 n ASP 53 N 2.14 0.81 -4.63 5.45 8.00 -1.26 -2.64 116.55 124.42 3n59 n ASP 53 Ca -0.17 -0.73 -0.39 0.00 0.71 0.00 0.00 54.79 54.21 3n59 n ASP 53 Cb 0.57 0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.66 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 -2.54 6.37 0.20 -2.24 0.15 -1.26 -4.65 113.70 109.73 3n59 s SER 54 Ca 0.24 0.43 -0.11 0.00 0.70 0.00 0.00 55.95 57.22 3n59 s SER 54 Cb 0.19 -2.24 0.21 0.00 -1.71 0.00 0.00 66.02 62.47 3n59 s SER 54 CO 0.52 -0.18 1.80 -0.08 1.20 0.00 0.00 173.24 176.49 3n59 h GLU 55 N 7.87 0.58 -0.98 5.44 4.81 -2.00 -2.62 114.58 127.68 3n59 h GLU 55 Ca -0.32 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.92 3n59 h GLU 55 Cb 1.16 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 3n59 h GLU 55 CO 0.69 0.39 0.64 0.00 -0.73 0.00 0.00 179.01 179.99 3n59 h ALA 56 N 1.33 1.39 -0.45 2.92 0.00 -1.99 -1.48 119.26 120.98 3n59 h ALA 56 Ca 0.27 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3n59 h ALA 56 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3n59 h ALA 56 CO -0.18 0.48 -0.15 0.37 0.00 0.00 0.00 179.25 179.78 3n59 h GLN 57 N 1.19 0.90 -0.66 0.00 5.75 -1.90 -1.45 115.11 118.94 3n59 h GLN 57 Ca 0.41 -0.36 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3n59 h GLN 57 Cb 0.09 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 3n59 h GLN 57 CO -0.14 1.01 0.33 -0.07 -2.65 0.00 0.00 178.83 177.31 3n59 h LEU 58 N 0.73 0.85 -0.70 -2.39 3.38 -1.12 -0.23 115.31 115.84 3n59 h LEU 58 Ca 0.11 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3n59 h LEU 58 Cb 0.70 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3n59 h LEU 58 CO 0.05 0.73 0.41 -0.07 0.09 0.00 0.00 178.44 179.65 3n59 h LEU 59 N 0.91 0.62 -0.12 1.67 3.38 -1.13 -0.20 115.31 120.44 3n59 h LEU 59 Ca 0.23 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3n59 h LEU 59 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3n59 h LEU 59 CO -0.03 0.40 0.05 -0.78 0.09 0.00 0.00 178.44 178.17 3n59 h ASP 60 N 0.75 0.17 -0.85 -0.43 3.58 -0.74 -1.12 116.42 117.78 3n59 h ASP 60 Ca 0.31 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.63 3n59 h ASP 60 Cb 0.16 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 3n59 h ASP 60 CO -0.17 0.28 0.56 -0.50 -2.88 0.00 0.00 179.24 176.53 3n59 h TRP 61 N 0.05 1.04 -0.52 0.28 6.55 -0.75 -1.15 115.95 121.44 3n59 h TRP 61 Ca 0.04 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.81 3n59 h TRP 61 Cb 0.16 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.09 3n59 h TRP 61 CO -0.02 0.62 -0.08 0.82 -1.05 0.00 0.00 178.44 178.73 3n59 h ILE 62 N 1.09 1.26 -0.73 1.49 1.08 -0.88 -2.56 117.51 118.27 3n59 h ILE 62 Ca 0.33 -1.19 -0.04 0.00 -0.39 0.00 0.00 64.86 63.57 3n59 h ILE 62 Cb -0.02 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 3n59 h ILE 62 CO -0.09 0.42 0.32 0.45 -0.69 0.00 0.00 178.15 178.56 3n59 h HIS 63 N 0.85 1.08 -0.73 1.37 3.86 -0.31 -1.65 115.15 119.62 3n59 h HIS 63 Ca 0.14 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 3n59 h HIS 63 Cb 0.61 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3n59 h HIS 63 CO 0.04 0.82 0.21 1.96 0.86 0.00 0.00 177.93 181.81 3n59 h GLN 64 N 1.03 1.15 -0.01 2.45 4.20 -1.17 -2.24 115.11 120.53 3n59 h GLN 64 Ca 0.25 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 3n59 h GLN 64 Cb 0.17 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3n59 h GLN 64 CO -0.03 0.99 -0.53 0.00 -0.67 0.00 0.00 178.83 178.60 3n59 h ALA 65 N 1.12 1.10 -0.33 3.87 0.00 -1.24 -1.34 119.26 122.44 3n59 h ALA 65 Ca 0.23 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3n59 h ALA 65 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3n59 h ALA 65 CO -0.00 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.75 3n59 h ALA 66 N 1.44 0.46 -0.63 0.00 0.00 -1.09 -0.39 119.26 119.05 3n59 h ALA 66 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3n59 h ALA 66 Cb 0.95 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3n59 h ALA 66 CO 0.07 0.37 0.03 -0.44 0.00 0.00 0.00 179.25 179.28 3n59 h ASP 67 N 0.45 1.06 0.02 0.00 3.32 -1.28 -3.03 116.42 116.98 3n59 h ASP 67 Ca 0.07 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3n59 h ASP 67 Cb 0.70 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3n59 h ASP 67 CO 0.05 1.09 -0.02 0.00 -1.72 0.00 0.00 179.24 178.64 3n59 n ALA 68 N -2.48 2.64 -3.81 3.45 0.00 -0.52 -4.94 120.51 114.85 3n59 n ALA 68 Ca 0.03 -0.37 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 3n59 n ALA 68 Cb 0.34 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.23 -1.70 -2.75 0.00 0.00 -0.71 -4.99 120.51 110.12 3n59 n ALA 69 Ca 0.20 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 3n59 n ALA 69 Cb 0.29 -3.00 -0.08 0.00 0.00 0.00 0.00 19.45 16.65 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 -6.29 3.15 0.67 0.00 2.02 -0.24 -4.74 118.70 113.27 3n59 s GLU 70 Ca 0.29 -0.32 -0.16 0.00 0.02 0.00 0.00 54.97 54.80 3n59 s GLU 70 Cb -0.14 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.17 3n59 s GLU 70 CO 0.82 0.72 1.18 -1.25 0.02 0.00 0.00 175.26 176.75 3n59 s PRO 71 N -0.90 2.57 -0.07 0.39 0.04 -1.26 -4.69 135.00 131.09 3n59 s PRO 71 Ca 0.14 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.86 3n59 s PRO 71 Cb -0.12 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.54 3n59 s PRO 71 CO 0.03 -1.48 -0.11 0.08 0.04 0.00 0.00 177.00 175.56 3n59 s VAL 72 N -1.97 1.06 -0.34 -0.36 1.01 -0.54 -1.68 120.40 117.58 3n59 s VAL 72 Ca 0.73 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 3n59 s VAL 72 Cb -0.27 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3n59 s VAL 72 CO 0.40 0.34 0.24 -0.63 0.00 0.00 0.00 175.10 175.45 3n59 s ILE 73 N 0.82 5.26 -0.19 2.22 1.01 0.15 -0.21 121.20 130.27 3n59 s ILE 73 Ca -0.12 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3n59 s ILE 73 Cb -0.15 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.64 3n59 s ILE 73 CO 0.02 -0.00 -0.18 -0.22 0.00 0.00 0.00 174.94 174.56 3n59 s LEU 74 N 1.72 2.27 -0.39 2.97 2.96 0.49 -0.58 118.68 128.12 3n59 s LEU 74 Ca 0.06 -0.66 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 3n59 s LEU 74 Cb -0.17 -1.51 0.10 0.00 0.50 0.00 0.00 46.19 45.10 3n59 s LEU 74 CO 0.10 -0.01 0.18 0.21 -1.32 0.00 0.00 176.35 175.51 3n59 s ASN 75 N 1.30 5.26 0.00 3.68 3.84 -0.21 -0.88 114.94 127.93 3n59 s ASN 75 Ca 0.04 -1.84 0.28 0.00 0.21 0.00 0.00 52.86 51.56 3n59 s ASN 75 Cb -0.13 -1.84 1.07 0.00 -0.55 0.00 0.00 41.25 39.80 3n59 s ASN 75 CO -0.12 -0.50 1.76 0.00 -2.79 0.00 0.00 177.10 175.45 3n59 n ALA 76 N 4.65 2.82 -0.86 1.71 0.00 -1.26 0.06 120.51 127.63 3n59 n ALA 76 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3n59 n ALA 76 Cb 0.42 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.26 2.95 0.24 0.00 0.00 -1.26 -2.61 105.19 105.77 3n59 n GLY 77 Ca 0.15 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.96 -2.78 103.07 100.31 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 -0.05 1.41 0.00 0.00 0.00 176.54 177.90 3n59 h LEU 79 N 0.00 0.00 -0.79 3.11 3.38 -1.88 -2.65 115.31 116.48 3n59 h LEU 79 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 3n59 h LEU 79 Cb 0.50 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.12 3n59 h LEU 79 CO 0.02 0.05 0.12 0.74 0.09 0.00 0.00 178.44 179.47 3n59 h THR 80 N 0.00 0.38 -0.00 0.22 2.02 -1.63 -0.42 112.91 113.49 3n59 h THR 80 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3n59 h THR 80 Cb 0.25 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3n59 h THR 80 CO 0.01 0.03 -0.60 1.41 0.37 0.00 0.00 175.52 176.74 3n59 n HIS 81 N -5.26 0.00 0.00 3.16 8.25 -1.00 -1.66 115.22 118.72 3n59 n HIS 81 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3n59 n HIS 81 Cb 0.53 -0.17 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 -1.38 0.00 -3.37 1.59 -2.24 -0.94 -4.78 114.28 103.16 3n59 n THR 82 Ca 0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 3n59 n THR 82 Cb 0.34 -0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.27 6.16 0.11 3.42 0.15 -0.21 -4.89 113.70 116.18 3n59 s SER 83 Ca 0.00 -0.85 -0.04 0.00 0.70 0.00 0.00 55.95 55.76 3n59 s SER 83 Cb 0.00 -2.20 -0.15 0.00 -1.71 0.00 0.00 66.02 61.96 3n59 s SER 83 CO 0.00 -0.55 1.25 0.58 1.20 0.00 0.00 173.24 175.72 3n59 h VAL 84 N 5.70 1.44 -0.70 4.45 2.07 -1.95 -3.09 116.25 124.17 3n59 h VAL 84 Ca -0.27 -2.66 0.05 0.00 0.82 0.00 0.00 66.70 64.64 3n59 h VAL 84 Cb 1.11 2.60 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 3n59 h VAL 84 CO 0.79 0.79 0.41 0.00 0.02 0.00 0.00 177.57 179.58 3n59 h ALA 85 N 0.70 0.93 -0.48 1.67 0.00 -1.98 0.13 119.26 120.22 3n59 h ALA 85 Ca -0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3n59 h ALA 85 Cb 1.70 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3n59 h ALA 85 CO 0.18 0.14 0.04 1.25 0.00 0.00 0.00 179.25 180.85 3n59 h LEU 86 N 0.78 0.80 -0.60 0.00 5.85 -1.95 -2.28 115.31 117.90 3n59 h LEU 86 Ca 0.30 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3n59 h LEU 86 Cb 0.12 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3n59 h LEU 86 CO -0.15 0.88 0.34 -0.09 -0.34 0.00 0.00 178.44 179.08 3n59 h ARG 87 N 0.69 0.64 -0.73 1.25 2.43 -1.33 -1.69 114.38 115.64 3n59 h ARG 87 Ca 0.14 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3n59 h ARG 87 Cb 0.44 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3n59 h ARG 87 CO 0.02 0.42 0.24 -0.44 -1.51 0.00 0.00 179.97 178.70 3n59 h ASP 88 N 0.66 1.04 -0.59 -3.80 3.32 -0.60 -2.24 116.42 114.21 3n59 h ASP 88 Ca 0.26 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3n59 h ASP 88 Cb 0.11 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3n59 h ASP 88 CO -0.15 0.95 0.12 0.00 -1.72 0.00 0.00 179.24 178.44 3n59 h ALA 89 N 1.18 0.77 0.00 3.45 0.00 -1.14 -2.87 119.26 120.65 3n59 h ALA 89 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3n59 h ALA 89 Cb 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3n59 h ALA 89 CO -0.01 0.51 -0.06 0.00 0.00 0.00 0.00 179.25 179.69 3n59 h ALA 91 N 1.94 1.02 0.00 0.00 0.00 -1.17 -2.73 119.26 118.32 3n59 h ALA 91 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3n59 h ALA 91 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3n59 h ALA 91 CO 0.01 0.06 0.00 0.93 0.00 0.00 0.00 179.25 180.24 3n59 h GLU 92 N 0.00 0.00 -6.45 0.00 5.08 -1.59 -3.45 114.58 108.16 3n59 h GLU 92 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 3n59 h GLU 92 Cb 0.50 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.77 3n59 h GLU 92 CO 0.01 0.00 0.92 -0.51 -1.00 0.00 0.00 179.01 178.43 3n59 s LEU 93 N -5.90 4.35 -0.07 1.33 1.43 -1.03 -4.90 118.68 113.89 3n59 s LEU 93 Ca 0.04 2.39 0.03 0.00 -1.03 0.00 0.00 54.13 55.56 3n59 s LEU 93 Cb 0.08 -3.57 -0.25 0.00 0.03 0.00 0.00 46.19 42.48 3n59 s LEU 93 CO 0.57 -0.82 0.57 0.77 0.23 0.00 0.00 176.35 177.67 3n59 h SER 94 N 7.93 0.22 -4.37 2.29 4.64 -1.88 -3.47 113.55 118.90 3n59 h SER 94 Ca -0.41 -0.47 -0.51 0.00 -0.47 0.00 0.00 61.79 59.93 3n59 h SER 94 Cb 1.20 -0.07 0.07 0.00 -0.31 0.00 0.00 62.40 63.29 3n59 h SER 94 CO 0.92 1.42 0.40 0.00 -0.87 0.00 0.00 176.83 178.70 3n59 s ALA 95 N -2.58 2.93 0.60 5.18 0.00 -1.26 -5.01 121.76 121.62 3n59 s ALA 95 Ca -0.13 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 3n59 s ALA 95 Cb 0.07 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3n59 s ALA 95 CO 0.80 -0.93 1.29 -2.14 0.00 0.00 0.00 175.76 174.78 3n59 s PRO 96 N -5.19 2.83 -0.13 0.00 0.02 -1.26 -4.78 135.00 126.49 3n59 s PRO 96 Ca 0.56 2.04 0.02 0.00 0.02 0.00 0.00 61.00 63.64 3n59 s PRO 96 Cb -0.12 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.44 3n59 s PRO 96 CO 0.54 -1.38 -0.17 -1.17 -0.33 0.00 0.00 177.00 174.49 3n59 s LEU 97 N -4.05 1.83 -0.24 -5.54 2.96 -1.26 -1.46 118.68 110.92 3n59 s LEU 97 Ca 0.78 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 54.17 3n59 s LEU 97 Cb -0.36 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.12 3n59 s LEU 97 CO 0.40 0.01 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.76 3n59 s ILE 98 N 1.08 3.05 0.04 6.68 -1.09 0.71 -0.11 121.20 131.57 3n59 s ILE 98 Ca -0.03 -0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 57.26 3n59 s ILE 98 Cb -0.14 -2.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.20 3n59 s ILE 98 CO -0.05 0.27 0.89 -0.70 -1.23 0.00 0.00 174.94 174.12 3n59 s GLU 99 N 1.38 4.58 -0.06 2.79 2.12 -0.35 -0.38 118.70 128.78 3n59 s GLU 99 Ca 0.02 1.28 0.03 0.00 0.36 0.00 0.00 54.97 56.66 3n59 s GLU 99 Cb -0.16 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.83 3n59 s GLU 99 CO -0.04 0.14 -0.13 0.08 -0.54 0.00 0.00 175.26 174.76 3n59 s VAL 100 N 0.37 1.20 -0.09 3.70 1.01 -0.06 -0.36 120.40 126.17 3n59 s VAL 100 Ca 0.45 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3n59 s VAL 100 Cb -0.21 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.11 3n59 s VAL 100 CO 0.26 0.36 -0.13 -1.00 0.00 0.00 0.00 175.10 174.60 3n59 s HIS 101 N 0.45 1.65 0.04 5.22 3.76 -0.08 -4.27 115.29 122.06 3n59 s HIS 101 Ca -0.11 -0.70 -0.24 0.00 -0.15 0.00 0.00 55.06 53.86 3n59 s HIS 101 Cb -0.14 -1.22 -0.17 0.00 1.11 0.00 0.00 32.58 32.16 3n59 s HIS 101 CO 0.03 -0.38 1.53 0.82 -0.85 0.00 0.00 174.74 175.88 3n59 h ILE 102 N 5.99 1.18 -3.19 0.60 2.04 -1.86 -2.05 117.51 120.23 3n59 h ILE 102 Ca -0.30 -0.55 -0.46 0.00 1.00 0.00 0.00 64.86 64.55 3n59 h ILE 102 Cb 1.18 1.51 0.05 0.00 -0.74 0.00 0.00 36.82 38.82 3n59 h ILE 102 CO 0.47 0.15 0.07 -0.94 0.00 0.00 0.00 178.15 177.89 3n59 s SER 103 N -5.46 5.46 -0.75 1.72 1.04 -1.26 -1.27 113.70 113.17 3n59 s SER 103 Ca -0.14 0.40 -0.25 0.00 0.48 0.00 0.00 55.95 56.44 3n59 s SER 103 Cb 0.04 -1.38 0.05 0.00 0.10 0.00 0.00 66.02 64.83 3n59 s SER 103 CO 0.67 -1.07 1.20 0.21 0.98 0.00 0.00 173.24 175.22 3n59 s ASN 104 N -4.34 6.22 0.65 7.02 3.84 -1.26 -2.30 114.94 124.77 3n59 s ASN 104 Ca 0.54 -0.80 0.38 0.00 0.21 0.00 0.00 52.86 53.20 3n59 s ASN 104 Cb -0.10 -2.51 2.13 0.00 -0.55 0.00 0.00 41.25 40.21 3n59 s ASN 104 CO 0.42 -1.65 2.25 1.62 -2.79 0.00 0.00 177.10 176.95 3n59 h VAL 105 N 6.09 0.12 0.00 -5.21 3.04 -1.93 -1.79 116.25 116.57 3n59 h VAL 105 Ca -0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3n59 h VAL 105 Cb 1.05 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 3n59 h VAL 105 CO 1.26 0.00 -0.44 1.41 -1.01 0.00 0.00 177.57 178.79 3n59 n HIS 106 N -3.23 0.16 0.71 3.17 8.25 -1.26 -3.56 115.22 119.46 3n59 n HIS 106 Ca -0.02 0.05 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 3n59 n HIS 106 Cb 0.16 -0.41 0.26 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.59 2.46 -2.72 -1.41 0.00 -0.67 -4.94 120.51 111.64 3n59 n ALA 107 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3n59 n ALA 107 Cb 0.36 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.06 3.66 -2.07 0.00 1.74 -1.23 -5.09 116.66 114.72 3n59 n ARG 108 Ca 0.18 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 3n59 n ARG 108 Cb 0.51 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.97 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 3.41 3.22 0.44 5.56 8.01 -1.26 -4.93 118.70 133.14 3n59 s GLU 109 Ca 0.00 1.84 0.10 0.00 0.01 0.00 0.00 54.97 56.93 3n59 s GLU 109 Cb 0.00 -2.09 0.98 0.00 -4.31 0.00 0.00 34.13 28.72 3n59 s GLU 109 CO 0.00 -1.01 2.06 1.49 0.01 0.00 0.00 175.26 177.81 3n59 h GLU 110 N 1.26 0.30 0.00 1.61 4.57 -1.95 -2.35 114.58 118.02 3n59 h GLU 110 Ca -0.50 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3n59 h GLU 110 Cb 1.28 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3n59 h GLU 110 CO 0.57 0.24 0.00 0.27 -1.18 0.00 0.00 179.01 178.91 3n59 h PHE 111 N 0.31 0.00 -0.00 0.92 -5.15 -1.95 -1.97 116.94 109.10 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 0.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.21 3n59 h PHE 111 CO 0.00 0.00 -0.26 0.54 -2.00 0.00 0.00 178.31 176.59 3n59 n ARG 112 N -2.32 0.30 0.00 6.09 1.74 -0.88 -3.84 116.66 117.74 3n59 n ARG 112 Ca 0.01 -0.13 0.14 0.00 -0.77 0.00 0.00 57.85 57.10 3n59 n ARG 112 Cb 0.20 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.24 1.01 -4.55 5.56 1.74 -0.74 -4.73 116.66 113.70 3n59 n ARG 113 Ca 0.09 -0.43 -0.34 0.00 -0.77 0.00 0.00 57.85 56.40 3n59 n ARG 113 Cb 0.32 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.29 2.99 -0.03 -1.55 2.46 -1.25 -5.05 115.29 110.56 3n59 s HIS 114 Ca 0.33 0.02 0.01 0.00 0.47 0.00 0.00 55.06 55.89 3n59 s HIS 114 Cb 0.20 -1.75 0.01 0.00 -0.13 0.00 0.00 32.58 30.92 3n59 s HIS 114 CO 0.43 0.32 -0.05 0.45 -2.47 0.00 0.00 174.74 173.42 3n59 s SER 115 N -0.69 0.87 0.46 9.88 0.15 -1.26 -4.43 113.70 118.69 3n59 s SER 115 Ca 0.11 -0.12 0.25 0.00 0.70 0.00 0.00 55.95 56.88 3n59 s SER 115 Cb -0.11 -0.35 0.54 0.00 -1.71 0.00 0.00 66.02 64.39 3n59 s SER 115 CO 0.02 -0.02 1.68 1.88 1.20 0.00 0.00 173.24 178.01 3n59 h TYR 116 N 6.84 0.00 0.02 3.44 0.05 -1.62 -3.33 116.97 122.37 3n59 h TYR 116 Ca -0.36 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.15 3n59 h TYR 116 Cb 1.16 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.86 3n59 h TYR 116 CO 0.48 0.00 -1.47 -0.07 -1.05 0.00 0.00 178.16 176.04 3n59 h LEU 117 N 0.00 0.06 -0.32 3.88 3.38 -1.90 -3.40 115.31 117.01 3n59 h LEU 117 Ca 0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3n59 h LEU 117 Cb 0.90 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 3n59 h LEU 117 CO 0.00 1.09 0.01 0.28 0.09 0.00 0.00 178.44 179.90 3n59 h SER 118 N 0.01 -0.12 0.06 -0.43 0.02 -1.93 -1.55 113.55 109.61 3n59 h SER 118 Ca -0.20 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3n59 h SER 118 Cb 1.94 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 64.60 3n59 h SER 118 CO 0.11 -0.02 -0.03 -0.65 -1.14 0.00 0.00 176.83 175.09 3n59 h PRO 119 N 0.10 0.00 0.00 3.45 0.11 -1.79 -2.81 132.00 131.06 3n59 h PRO 119 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3n59 h PRO 119 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3n59 h PRO 119 CO -0.26 0.03 -1.27 0.44 -0.21 0.00 0.00 178.00 176.73 3n59 n ILE 120 N -3.99 0.00 -1.88 4.15 -5.35 -1.00 -4.97 119.36 106.32 3n59 n ILE 120 Ca -0.03 -0.17 -0.32 0.00 -0.27 0.00 0.00 62.75 61.96 3n59 n ILE 120 Cb 0.11 0.68 0.02 0.00 -1.74 0.00 0.00 39.64 38.72 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 -3.07 2.71 0.01 -1.28 0.00 -0.62 -4.92 121.76 114.59 3n59 s ALA 121 Ca 0.03 0.30 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 3n59 s ALA 121 Cb 0.15 -3.22 -0.18 0.00 0.00 0.00 0.00 23.12 19.87 3n59 s ALA 121 CO 0.84 -0.96 1.36 1.15 0.00 0.00 0.00 175.76 178.14 3n59 h THR 122 N 0.04 1.13 -3.74 0.00 2.02 -0.82 -3.48 112.91 108.06 3n59 h THR 122 Ca -0.46 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 65.89 3n59 h THR 122 Cb 1.22 1.62 -0.10 0.00 -1.74 0.00 0.00 68.15 69.14 3n59 h THR 122 CO 0.57 0.19 -0.18 -0.83 0.37 0.00 0.00 175.52 175.64 3n59 s GLY 123 N -2.85 0.55 -0.05 2.16 0.00 -1.17 -5.03 107.32 100.92 3n59 s GLY 123 Ca -0.15 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.69 3n59 s GLY 123 CO 0.64 -0.69 -0.05 0.14 0.00 0.00 0.00 173.10 173.13 3n59 s VAL 124 N -4.01 0.61 -0.17 1.40 1.01 -1.26 -1.21 120.40 116.77 3n59 s VAL 124 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3n59 s VAL 124 Cb 0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 3n59 s VAL 124 CO 0.07 0.24 -0.10 -0.63 0.00 0.00 0.00 175.10 174.68 3n59 s ILE 125 N 0.91 3.09 -0.02 2.22 1.01 0.52 -4.97 121.20 123.96 3n59 s ILE 125 Ca -0.11 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3n59 s ILE 125 Cb -0.14 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.99 3n59 s ILE 125 CO 0.00 0.49 -0.06 -0.69 0.00 0.00 0.00 174.94 174.68 3n59 s VAL 126 N 0.81 0.56 0.00 2.92 1.01 -1.26 -0.90 120.40 123.54 3n59 s VAL 126 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3n59 s VAL 126 Cb -0.15 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3n59 s VAL 126 CO 0.01 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3n59 n GLY 127 N 3.25 0.77 1.50 4.51 0.00 -0.77 -4.84 105.19 109.61 3n59 n GLY 127 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 4.42 0.00 0.99 4.77 -1.23 -4.63 117.00 121.32 3n59 n LEU 128 Ca 0.00 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 3n59 n LEU 128 Cb 0.00 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 3n59 n LEU 128 CO 0.00 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3n59 n GLY 129 N 0.73 0.56 0.25 -0.72 0.00 -0.40 -3.32 105.19 102.29 3n59 n GLY 129 Ca 0.22 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.63 0.00 -0.61 6.09 -1.95 -2.76 117.51 118.91 3n59 h ILE 130 Ca 0.00 -0.71 -0.00 0.00 -1.37 0.00 0.00 64.86 62.78 3n59 h ILE 130 Cb 0.00 1.45 -0.00 0.00 0.47 0.00 0.00 36.82 38.74 3n59 h ILE 130 CO 0.00 0.16 -0.00 -0.61 -3.07 0.00 0.00 178.15 174.62 3n59 h GLN 131 N 0.00 0.00 -0.71 2.19 4.15 -1.96 -2.95 115.11 115.83 3n59 h GLN 131 Ca -0.00 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.58 3n59 h GLN 131 Cb 0.44 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 3n59 h GLN 131 CO 0.02 0.00 0.48 0.78 -1.93 0.00 0.00 178.83 178.19 3n59 h GLY 132 N 1.48 0.46 0.82 2.39 0.00 -1.56 -0.79 103.07 105.87 3n59 h GLY 132 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3n59 h GLY 132 CO 0.00 0.03 -0.04 -0.97 0.00 0.00 0.00 176.54 175.56 3n59 h TYR 133 N 0.26 0.47 -0.26 5.60 -1.99 -1.76 -2.19 116.97 117.11 3n59 h TYR 133 Ca 0.34 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.86 3n59 h TYR 133 Cb 0.97 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.57 3n59 h TYR 133 CO -0.00 0.65 -0.34 -0.07 -0.00 0.00 0.00 178.16 178.40 3n59 h LEU 134 N 0.16 0.58 -0.83 3.88 3.38 -1.43 -1.42 115.31 119.63 3n59 h LEU 134 Ca 0.06 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 3n59 h LEU 134 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3n59 h LEU 134 CO 0.02 0.88 -0.29 -0.07 0.09 0.00 0.00 178.44 179.07 3n59 h LEU 135 N 0.48 0.55 -0.84 1.67 3.38 -1.23 -1.69 115.31 117.63 3n59 h LEU 135 Ca 0.05 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3n59 h LEU 135 Cb 0.82 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3n59 h LEU 135 CO 0.07 0.82 -0.22 0.00 0.09 0.00 0.00 178.44 179.19 3n59 h ALA 136 N 1.22 1.01 -0.52 1.53 0.00 -0.99 -2.35 119.26 119.16 3n59 h ALA 136 Ca 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3n59 h ALA 136 Cb 0.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3n59 h ALA 136 CO 0.06 0.59 0.14 -0.07 0.00 0.00 0.00 179.25 179.96 3n59 h LEU 137 N 0.55 0.78 -0.95 0.00 3.38 -0.99 -2.64 115.31 115.44 3n59 h LEU 137 Ca 0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3n59 h LEU 137 Cb 0.68 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3n59 h LEU 137 CO 0.05 0.80 0.11 -0.09 0.09 0.00 0.00 178.44 179.40 3n59 h ARG 138 N 0.72 0.87 -0.31 1.13 2.43 -1.14 0.34 114.38 118.43 3n59 h ARG 138 Ca 0.16 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3n59 h ARG 138 Cb 0.32 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3n59 h ARG 138 CO -0.00 0.80 0.16 -0.92 -1.51 0.00 0.00 179.97 178.50 3n59 h TYR 139 N 0.84 0.43 0.00 2.20 3.20 -1.38 -3.02 116.97 119.23 3n59 h TYR 139 Ca 0.18 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3n59 h TYR 139 Cb 0.34 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3n59 h TYR 139 CO 0.02 0.36 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.49 3n59 h LEU 140 N 0.37 0.00 -1.79 2.82 3.38 -1.05 -2.21 115.31 116.83 3n59 h LEU 140 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3n59 h LEU 140 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3n59 h LEU 140 CO -0.02 0.33 -0.15 0.00 0.09 0.00 0.00 178.44 178.69 3n59 h ALA 141 N 1.67 1.44 -0.26 1.53 0.00 -0.82 -2.35 119.26 120.47 3n59 h ALA 141 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n59 h ALA 141 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3n59 h ALA 141 CO 0.04 0.19 0.00 -1.91 0.00 0.00 0.00 179.25 177.58 3n59 n GLU 142 N -3.91 2.14 0.00 0.00 4.07 -0.84 -5.10 120.64 116.99 3n59 n GLU 142 Ca -0.02 -1.71 0.00 0.00 -0.06 0.00 0.00 57.16 55.37 3n59 n GLU 142 Cb 0.25 -1.46 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79