#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 5.30 -0.12 1.47 1.09 -1.26 -0.27 121.20 127.41 3n59 s ILE 4 Ca 0.00 0.48 0.02 0.00 -1.10 0.00 0.00 60.65 60.05 3n59 s ILE 4 Cb 0.00 -3.62 -0.01 0.00 -1.06 0.00 0.00 42.46 37.78 3n59 s ILE 4 CO 0.00 0.35 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.31 3n59 s VAL 5 N 0.79 2.52 -0.30 2.92 1.01 0.12 -4.05 120.40 123.41 3n59 s VAL 5 Ca 0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 3n59 s VAL 5 Cb -0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3n59 s VAL 5 CO 0.04 0.54 0.17 0.20 0.00 0.00 0.00 175.10 176.05 3n59 s ASN 6 N 0.41 5.71 -0.40 3.32 0.01 -0.56 -1.12 114.94 122.30 3n59 s ASN 6 Ca -0.14 -0.32 -0.15 0.00 -0.71 0.00 0.00 52.86 51.54 3n59 s ASN 6 Cb -0.17 -2.05 0.02 0.00 0.41 0.00 0.00 41.25 39.46 3n59 s ASN 6 CO 0.06 -0.14 0.29 -0.69 -1.51 0.00 0.00 177.10 175.11 3n59 s VAL 7 N 1.67 5.21 -0.28 1.60 1.01 0.55 0.08 120.40 130.25 3n59 s VAL 7 Ca 0.06 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3n59 s VAL 7 Cb -0.17 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3n59 s VAL 7 CO 0.08 -0.29 -0.00 -0.63 0.00 0.00 0.00 175.10 174.26 3n59 s ILE 8 N 1.67 3.21 -0.19 2.22 1.01 0.72 -1.26 121.20 128.58 3n59 s ILE 8 Ca 0.05 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 3n59 s ILE 8 Cb -0.19 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3n59 s ILE 8 CO 0.10 0.07 0.08 0.20 0.00 0.00 0.00 174.94 175.39 3n59 s ASN 9 N 1.35 5.74 0.27 3.58 0.01 -0.43 -1.57 114.94 123.90 3n59 s ASN 9 Ca -0.01 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 3n59 s ASN 9 Cb -0.18 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.49 3n59 s ASN 9 CO -0.02 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.34 3n59 n GLY 10 N 3.64 -0.38 3.60 0.66 0.00 0.23 -2.29 105.19 110.65 3n59 n GLY 10 Ca -0.16 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 3n59 n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3n59 n PRO 11 N -0.33 0.91 -0.07 1.61 -0.04 -1.07 -2.95 135.00 133.05 3n59 n PRO 11 Ca 0.00 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3n59 n PRO 11 Cb 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 3n59 n PRO 11 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3n59 n ASN 12 N -0.50 0.00 0.08 3.54 3.02 -1.26 -4.56 115.26 115.58 3n59 n ASN 12 Ca 0.13 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.81 3n59 n ASN 12 Cb 0.46 -0.73 0.37 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.66 0.00 3.41 4.77 -1.15 -2.25 117.00 122.44 3n59 n LEU 13 Ca 0.00 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.55 3n59 n LEU 13 Cb 0.00 -0.31 0.59 0.00 -2.33 0.00 0.00 43.42 41.37 3n59 n LEU 13 CO 0.00 -0.11 0.87 0.61 -1.33 0.00 0.00 177.39 177.43 3n59 n GLY 14 N 1.35 -1.00 1.15 -0.72 0.00 -1.26 -3.13 105.19 101.58 3n59 n GLY 14 Ca 0.05 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.25 2.52 -1.49 1.61 5.12 -0.95 -4.72 116.66 117.50 3n59 n ARG 15 Ca 0.12 -2.34 -0.37 0.00 -1.93 0.00 0.00 57.85 53.33 3n59 n ARG 15 Cb 0.17 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.03 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 1.45 2.87 0.00 0.55 4.77 -1.18 -3.97 117.00 121.49 3n59 n LEU 16 Ca 0.20 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 3n59 n LEU 16 Cb 0.59 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3n59 n LEU 16 CO 0.15 -2.26 0.00 0.61 -1.33 0.00 0.00 177.39 174.56 3n59 n GLY 17 N 1.37 1.82 2.24 -0.72 0.00 -0.68 -4.01 105.19 105.20 3n59 n GLY 17 Ca 0.13 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 2.15 0.00 1.61 1.85 -1.25 -4.43 116.66 116.59 3n59 n ARG 18 Ca 0.00 -1.86 0.00 0.00 -1.00 0.00 0.00 57.85 54.99 3n59 n ARG 18 Cb 0.00 -1.96 0.00 0.00 -1.05 0.00 0.00 32.46 29.45 3n59 n ARG 18 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3n59 n GLY 25 N 1.05 0.00 0.00 2.89 0.00 -1.26 -4.99 105.19 102.89 3n59 n GLY 25 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.00 3.66 -0.02 0.00 -1.26 -5.03 105.19 102.54 3n59 n GLY 26 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3n59 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n59 s THR 27 N -1.93 4.01 0.89 2.61 2.01 -1.26 -4.52 115.64 117.45 3n59 s THR 27 Ca 0.00 1.22 -0.12 0.00 0.31 0.00 0.00 61.69 63.10 3n59 s THR 27 Cb 0.00 -3.80 0.12 0.00 0.01 0.00 0.00 72.50 68.83 3n59 s THR 27 CO 0.00 -0.12 1.12 0.42 -0.69 0.00 0.00 174.62 175.35 3n59 s THR 28 N 3.76 2.34 0.20 -0.82 -4.23 -1.26 -1.69 115.64 113.93 3n59 s THR 28 Ca 0.62 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 3n59 s THR 28 Cb -0.26 -2.82 0.09 0.00 1.34 0.00 0.00 72.50 70.85 3n59 s THR 28 CO 0.20 -0.14 1.68 -0.74 -0.54 0.00 0.00 174.62 175.08 3n59 h HIS 29 N -1.42 1.14 -0.67 3.99 6.17 -1.84 -1.77 115.15 120.75 3n59 h HIS 29 Ca -0.50 -0.18 0.02 0.00 0.71 0.00 0.00 60.37 60.42 3n59 h HIS 29 Cb 1.31 -0.30 -0.04 0.00 2.52 0.00 0.00 27.41 30.90 3n59 h HIS 29 CO 0.35 0.98 0.43 -0.44 0.71 0.00 0.00 177.93 179.97 3n59 h ASP 30 N 0.98 0.74 -0.01 3.26 3.32 -1.94 0.56 116.42 123.32 3n59 h ASP 30 Ca 0.18 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 3n59 h ASP 30 Cb 0.51 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3n59 h ASP 30 CO 0.02 0.53 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.44 3n59 h GLU 31 N 0.87 0.45 -0.54 3.56 5.08 -1.91 -1.72 114.58 120.38 3n59 h GLU 31 Ca 0.25 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 3n59 h GLU 31 Cb -0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3n59 h GLU 31 CO -0.07 0.71 -0.08 1.25 -1.00 0.00 0.00 179.01 179.81 3n59 h LEU 32 N 0.40 1.00 -0.55 1.33 5.85 -0.82 -0.24 115.31 122.27 3n59 h LEU 32 Ca 0.05 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3n59 h LEU 32 Cb 0.72 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3n59 h LEU 32 CO 0.06 1.09 0.35 0.58 -0.34 0.00 0.00 178.44 180.18 3n59 h VAL 33 N 0.90 1.15 -0.82 1.05 2.07 -0.65 -0.35 116.25 119.60 3n59 h VAL 33 Ca 0.15 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3n59 h VAL 33 Cb 0.64 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3n59 h VAL 33 CO 0.04 0.15 0.43 0.00 0.02 0.00 0.00 177.57 178.22 3n59 h ALA 34 N 1.19 1.06 -0.40 1.67 0.00 -1.12 -2.40 119.26 119.25 3n59 h ALA 34 Ca 0.20 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3n59 h ALA 34 Cb -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3n59 h ALA 34 CO -0.04 0.59 -0.25 -0.07 0.00 0.00 0.00 179.25 179.48 3n59 h LEU 35 N 1.15 0.85 -0.07 0.00 3.38 -0.63 -2.68 115.31 117.31 3n59 h LEU 35 Ca 0.29 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3n59 h LEU 35 Cb 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3n59 h LEU 35 CO -0.04 1.05 -0.21 0.40 0.09 0.00 0.00 178.44 179.73 3n59 h ILE 36 N 0.71 1.42 -0.72 1.22 2.04 -0.97 -2.35 117.51 118.87 3n59 h ILE 36 Ca 0.09 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 3n59 h ILE 36 Cb 0.78 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 3n59 h ILE 36 CO 0.06 0.45 0.33 -0.33 0.00 0.00 0.00 178.15 178.66 3n59 h GLU 37 N -0.22 1.03 -0.45 2.37 5.08 -1.51 -0.66 114.58 120.22 3n59 h GLU 37 Ca -0.01 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3n59 h GLU 37 Cb 0.83 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3n59 h GLU 37 CO 0.05 0.81 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.77 3n59 h ARG 38 N 1.02 0.80 -0.38 2.33 2.43 -1.52 -2.63 114.38 116.44 3n59 h ARG 38 Ca 0.25 -0.25 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 3n59 h ARG 38 Cb 0.13 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3n59 h ARG 38 CO -0.03 0.86 -0.36 1.49 -1.51 0.00 0.00 179.97 180.41 3n59 h GLU 39 N 0.64 0.90 0.00 0.20 4.57 -1.12 -3.04 114.58 116.74 3n59 h GLU 39 Ca 0.13 -0.46 -0.06 0.00 -1.18 0.00 0.00 59.36 57.79 3n59 h GLU 39 Cb 0.50 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3n59 h GLU 39 CO 0.02 1.11 -0.29 0.00 -1.18 0.00 0.00 179.01 178.67 3n59 h ALA 40 N 0.83 1.31 -0.52 2.92 0.00 -1.12 -2.77 119.26 119.91 3n59 h ALA 40 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3n59 h ALA 40 Cb 0.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3n59 h ALA 40 CO 0.09 0.37 0.02 0.00 0.00 0.00 0.00 179.25 179.72 3n59 h ALA 41 N 1.71 0.70 0.00 0.00 0.00 -1.35 0.22 119.26 120.54 3n59 h ALA 41 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3n59 h ALA 41 Cb 0.60 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3n59 h ALA 41 CO 0.04 0.50 -0.08 0.93 0.00 0.00 0.00 179.25 180.64 3n59 h GLU 42 N 0.78 0.00 -0.02 0.00 3.07 -1.43 -2.56 114.58 114.42 3n59 h GLU 42 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3n59 h GLU 42 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3n59 h GLU 42 CO 0.02 0.08 -0.31 1.28 -1.40 0.00 0.00 179.01 178.68 3n59 n LEU 43 N -3.78 2.35 -1.48 1.33 4.77 -1.04 -4.98 117.00 114.17 3n59 n LEU 43 Ca -0.02 -0.84 -0.07 0.00 -0.03 0.00 0.00 56.01 55.05 3n59 n LEU 43 Cb 0.18 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3n59 n LEU 43 CO 0.30 0.42 0.06 0.61 -1.33 0.00 0.00 177.39 177.45 3n59 n GLY 44 N 1.39 0.45 3.22 -0.72 0.00 -0.61 -4.98 105.19 103.93 3n59 n GLY 44 Ca 0.11 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.95 2.32 -0.19 0.99 1.43 0.69 -4.65 118.68 116.32 3n59 s LEU 45 Ca 0.13 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 3n59 s LEU 45 Cb -0.06 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 3n59 s LEU 45 CO 0.21 -0.07 0.34 -0.75 0.23 0.00 0.00 176.35 176.32 3n59 s LYS 46 N -2.08 4.20 -0.22 1.70 2.36 0.63 -3.98 119.74 122.36 3n59 s LYS 46 Ca 0.03 0.13 -0.02 0.00 -2.55 0.00 0.00 55.97 53.55 3n59 s LYS 46 Cb -0.08 -3.50 0.00 0.00 -1.05 0.00 0.00 37.83 33.20 3n59 s LYS 46 CO 0.03 0.07 -0.08 0.00 1.55 0.00 0.00 175.35 176.92 3n59 s ALA 47 N 0.97 2.70 -0.34 3.13 0.00 -1.26 0.10 121.76 127.06 3n59 s ALA 47 Ca 0.17 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 3n59 s ALA 47 Cb -0.14 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.40 3n59 s ALA 47 CO 0.06 -0.48 0.15 0.08 0.00 0.00 0.00 175.76 175.57 3n59 s VAL 48 N 1.41 4.27 -0.26 0.00 1.01 -0.27 -4.89 120.40 121.67 3n59 s VAL 48 Ca 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3n59 s VAL 48 Cb -0.14 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3n59 s VAL 48 CO -0.05 -0.12 -0.01 -0.69 0.00 0.00 0.00 175.10 174.22 3n59 s VAL 49 N 1.51 3.31 0.06 2.92 1.01 -1.26 -0.33 120.40 127.63 3n59 s VAL 49 Ca 0.02 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3n59 s VAL 49 Cb -0.19 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3n59 s VAL 49 CO 0.05 0.20 -0.13 -0.13 0.00 0.00 0.00 175.10 175.08 3n59 s ARG 50 N 1.41 0.79 -0.01 2.72 0.52 -0.39 -5.01 118.95 118.98 3n59 s ARG 50 Ca 0.02 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 3n59 s ARG 50 Cb -0.16 -0.76 0.01 0.00 0.52 0.00 0.00 34.95 34.55 3n59 s ARG 50 CO -0.02 0.17 -0.02 -1.14 0.02 0.00 0.00 175.30 174.31 3n59 s GLN 51 N -1.59 0.32 -0.08 3.54 -0.44 -1.26 -1.31 119.66 118.84 3n59 s GLN 51 Ca -0.02 -0.06 -0.11 0.00 -2.50 0.00 0.00 55.36 52.67 3n59 s GLN 51 Cb -0.10 -0.38 0.03 0.00 -1.64 0.00 0.00 33.01 30.92 3n59 s GLN 51 CO 0.02 -0.00 0.29 0.45 0.50 0.00 0.00 175.29 176.54 3n59 s SER 52 N 0.35 -0.25 0.00 6.67 0.15 -0.97 -5.01 113.70 114.64 3n59 s SER 52 Ca -0.03 0.41 0.27 0.00 0.70 0.00 0.00 55.95 57.29 3n59 s SER 52 Cb -0.06 0.50 0.83 0.00 -1.71 0.00 0.00 66.02 65.58 3n59 s SER 52 CO -0.01 -0.20 1.64 0.47 1.20 0.00 0.00 173.24 176.34 3n59 n ASP 53 N 2.42 0.32 -4.70 5.45 8.00 -1.26 -2.61 116.55 124.17 3n59 n ASP 53 Ca -0.16 -0.01 -0.39 0.00 0.71 0.00 0.00 54.79 54.95 3n59 n ASP 53 Cb 0.57 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 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 -2.95 6.82 0.18 -2.24 0.15 -1.26 -4.67 113.70 109.73 3n59 s SER 54 Ca 0.14 0.99 -0.09 0.00 0.70 0.00 0.00 55.95 57.68 3n59 s SER 54 Cb 0.18 -2.36 0.05 0.00 -1.71 0.00 0.00 66.02 62.19 3n59 s SER 54 CO 0.62 -0.12 1.62 -0.08 1.20 0.00 0.00 173.24 176.47 3n59 h GLU 55 N 6.93 1.07 -0.84 5.44 4.81 -2.00 -2.70 114.58 127.30 3n59 h GLU 55 Ca -0.38 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.46 3n59 h GLU 55 Cb 1.18 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3n59 h GLU 55 CO 0.76 1.07 0.45 0.00 -0.73 0.00 0.00 179.01 180.56 3n59 h ALA 56 N 0.96 1.07 -0.48 2.92 0.00 -1.99 -0.76 119.26 120.98 3n59 h ALA 56 Ca 0.16 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3n59 h ALA 56 Cb 0.62 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3n59 h ALA 56 CO 0.04 0.58 -0.10 0.37 0.00 0.00 0.00 179.25 180.15 3n59 h GLN 57 N 1.16 0.88 -0.54 0.00 5.75 -1.97 -0.93 115.11 119.47 3n59 h GLN 57 Ca 0.29 -0.30 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 3n59 h GLN 57 Cb 0.04 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 3n59 h GLN 57 CO -0.05 0.93 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.98 3n59 h LEU 58 N 0.79 0.91 -0.48 -2.39 3.38 -1.12 -2.11 115.31 114.28 3n59 h LEU 58 Ca 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3n59 h LEU 58 Cb 0.61 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3n59 h LEU 58 CO 0.04 0.98 0.18 -0.07 0.09 0.00 0.00 178.44 179.66 3n59 h LEU 59 N 0.86 0.68 -0.77 1.67 3.38 -0.93 -2.36 115.31 117.83 3n59 h LEU 59 Ca 0.15 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3n59 h LEU 59 Cb 0.53 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3n59 h LEU 59 CO 0.03 0.68 0.49 -0.78 0.09 0.00 0.00 178.44 178.95 3n59 h ASP 60 N 0.64 0.82 -0.05 -0.43 3.58 -0.95 -0.35 116.42 119.67 3n59 h ASP 60 Ca 0.16 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 3n59 h ASP 60 Cb 0.22 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3n59 h ASP 60 CO -0.01 0.57 -0.36 -0.50 -2.88 0.00 0.00 179.24 176.05 3n59 h TRP 61 N 0.96 0.65 -0.37 0.28 6.55 -1.31 -2.11 115.95 120.60 3n59 h TRP 61 Ca 0.30 -0.18 -0.14 0.00 0.95 0.00 0.00 58.89 59.82 3n59 h TRP 61 Cb -0.01 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 28.14 3n59 h TRP 61 CO -0.03 0.84 -0.33 0.82 -1.05 0.00 0.00 178.44 178.69 3n59 h ILE 62 N 0.47 1.28 -0.69 1.49 2.04 -1.00 -0.96 117.51 120.13 3n59 h ILE 62 Ca 0.05 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 3n59 h ILE 62 Cb 0.85 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3n59 h ILE 62 CO 0.07 0.50 0.40 0.45 0.00 0.00 0.00 178.15 179.57 3n59 h HIS 63 N 0.70 0.92 -0.41 1.37 3.86 -0.96 -0.17 115.15 120.47 3n59 h HIS 63 Ca 0.07 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3n59 h HIS 63 Cb 0.89 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 3n59 h HIS 63 CO 0.05 0.64 0.14 1.96 0.86 0.00 0.00 177.93 181.58 3n59 h GLN 64 N 0.94 0.62 -0.42 2.45 4.20 -1.25 -2.04 115.11 119.61 3n59 h GLN 64 Ca 0.24 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3n59 h GLN 64 Cb -0.00 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3n59 h GLN 64 CO -0.04 0.60 0.05 0.00 -0.67 0.00 0.00 178.83 178.77 3n59 h ALA 65 N 0.99 1.30 -0.49 3.87 0.00 -0.95 -2.32 119.26 121.67 3n59 h ALA 65 Ca 0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3n59 h ALA 65 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3n59 h ALA 65 CO -0.01 0.48 -0.21 0.00 0.00 0.00 0.00 179.25 179.52 3n59 h ALA 66 N 1.43 0.69 -0.16 0.00 0.00 -0.87 -1.08 119.26 119.27 3n59 h ALA 66 Ca 0.14 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3n59 h ALA 66 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3n59 h ALA 66 CO 0.01 0.67 -0.32 -0.44 0.00 0.00 0.00 179.25 179.17 3n59 h ASP 67 N 0.87 0.32 0.14 0.00 3.32 -1.12 -2.86 116.42 117.09 3n59 h ASP 67 Ca 0.11 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n59 h ASP 67 Cb 0.79 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3n59 h ASP 67 CO 0.07 0.63 -0.23 0.00 -1.72 0.00 0.00 179.24 177.98 3n59 n ALA 68 N -2.48 3.04 -3.75 3.45 0.00 -0.89 -4.97 120.51 114.91 3n59 n ALA 68 Ca -0.01 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.71 3n59 n ALA 68 Cb 0.42 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.31 -1.46 -2.81 0.00 0.00 -0.64 -5.00 120.51 110.29 3n59 n ALA 69 Ca 0.13 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.39 3n59 n ALA 69 Cb 0.38 -4.28 -0.07 0.00 0.00 0.00 0.00 19.45 15.49 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 -6.34 3.71 0.52 0.00 2.02 -0.50 -4.59 118.70 113.51 3n59 s GLU 70 Ca 0.49 -0.11 -0.23 0.00 0.02 0.00 0.00 54.97 55.14 3n59 s GLU 70 Cb -0.24 -3.27 -0.06 0.00 0.10 0.00 0.00 34.13 30.67 3n59 s GLU 70 CO 0.79 0.62 1.36 -1.25 0.02 0.00 0.00 175.26 176.80 3n59 s PRO 71 N -0.59 3.29 -0.12 0.39 0.04 -1.26 -4.71 135.00 132.05 3n59 s PRO 71 Ca 0.14 2.25 0.03 0.00 0.04 0.00 0.00 61.00 63.46 3n59 s PRO 71 Cb -0.12 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.07 3n59 s PRO 71 CO 0.03 -1.07 -0.21 0.08 0.04 0.00 0.00 177.00 175.87 3n59 s VAL 72 N -1.29 1.93 -0.33 -0.36 1.01 -0.79 -1.50 120.40 119.07 3n59 s VAL 72 Ca 0.69 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3n59 s VAL 72 Cb -0.40 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3n59 s VAL 72 CO 0.49 0.53 0.19 -0.63 0.00 0.00 0.00 175.10 175.68 3n59 s ILE 73 N 0.67 4.84 -0.16 2.22 1.01 0.11 -0.53 121.20 129.36 3n59 s ILE 73 Ca -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3n59 s ILE 73 Cb -0.16 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.81 3n59 s ILE 73 CO 0.02 -0.01 -0.18 -0.22 0.00 0.00 0.00 174.94 174.55 3n59 s LEU 74 N 1.64 1.97 -0.41 2.97 2.96 0.53 -0.20 118.68 128.15 3n59 s LEU 74 Ca 0.05 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3n59 s LEU 74 Cb -0.17 -1.35 0.11 0.00 0.50 0.00 0.00 46.19 45.27 3n59 s LEU 74 CO 0.08 0.01 0.17 0.21 -1.32 0.00 0.00 176.35 175.49 3n59 s ASN 75 N 1.20 5.03 0.25 3.68 3.84 -0.61 -0.82 114.94 127.52 3n59 s ASN 75 Ca 0.01 -2.19 0.26 0.00 0.21 0.00 0.00 52.86 51.15 3n59 s ASN 75 Cb -0.14 -1.75 0.84 0.00 -0.55 0.00 0.00 41.25 39.65 3n59 s ASN 75 CO -0.09 -0.46 1.76 0.00 -2.79 0.00 0.00 177.10 175.52 3n59 h ALA 76 N 7.74 1.00 -0.44 1.71 0.00 -1.81 0.65 119.26 128.11 3n59 h ALA 76 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 76 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3n59 h ALA 76 CO 0.64 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.30 3n59 n GLY 77 N 0.92 2.19 0.24 0.00 0.00 -1.26 -3.12 105.19 104.15 3n59 n GLY 77 Ca 0.04 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3n59 n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n59 h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -2.99 103.07 100.11 3n59 h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n59 h GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3n59 h LEU 79 N 0.00 0.00 -0.75 3.11 3.38 -1.93 -3.05 115.31 116.07 3n59 h LEU 79 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.11 3n59 h LEU 79 Cb 0.67 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 3n59 h LEU 79 CO 0.02 0.00 0.27 0.74 0.09 0.00 0.00 178.44 179.57 3n59 h THR 80 N 0.00 0.62 -0.00 0.22 2.02 -1.71 -1.21 112.91 112.85 3n59 h THR 80 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3n59 h THR 80 Cb 0.43 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3n59 h THR 80 CO 0.00 0.07 -0.81 1.41 0.37 0.00 0.00 175.52 176.56 3n59 n HIS 81 N -5.04 0.00 -0.01 3.16 8.25 -1.15 -1.85 115.22 118.57 3n59 n HIS 81 Ca 0.14 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 3n59 n HIS 81 Cb 0.43 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.43 0.17 -3.30 1.59 -2.24 -1.08 -4.77 114.28 103.21 3n59 n THR 82 Ca 0.05 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3n59 n THR 82 Cb 0.34 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.67 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 -3.67 6.23 0.13 3.42 0.15 -0.48 -4.90 113.70 114.58 3n59 s SER 83 Ca -0.02 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.31 3n59 s SER 83 Cb 0.01 -2.24 -0.14 0.00 -1.71 0.00 0.00 66.02 61.94 3n59 s SER 83 CO 0.09 -0.50 1.28 0.58 1.20 0.00 0.00 173.24 175.89 3n59 h VAL 84 N 5.65 1.55 -0.63 4.45 2.07 -1.95 -3.15 116.25 124.23 3n59 h VAL 84 Ca -0.28 -2.94 0.02 0.00 0.82 0.00 0.00 66.70 64.32 3n59 h VAL 84 Cb 1.12 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.56 3n59 h VAL 84 CO 0.77 0.85 0.40 0.00 0.02 0.00 0.00 177.57 179.61 3n59 h ALA 85 N 0.85 0.82 -0.45 1.67 0.00 -1.98 -0.56 119.26 119.61 3n59 h ALA 85 Ca -0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3n59 h ALA 85 Cb 1.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 3n59 h ALA 85 CO 0.16 0.17 -0.11 1.25 0.00 0.00 0.00 179.25 180.71 3n59 h LEU 86 N 0.79 0.80 -0.29 0.00 5.85 -1.94 -2.45 115.31 118.08 3n59 h LEU 86 Ca 0.25 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3n59 h LEU 86 Cb -0.02 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3n59 h LEU 86 CO -0.09 0.93 0.16 -0.09 -0.34 0.00 0.00 178.44 179.02 3n59 h ARG 87 N 0.73 0.40 -0.81 1.25 2.43 -1.40 -2.56 114.38 114.42 3n59 h ARG 87 Ca 0.12 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3n59 h ARG 87 Cb 0.60 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3n59 h ARG 87 CO 0.04 0.35 0.35 -0.44 -1.51 0.00 0.00 179.97 178.75 3n59 h ASP 88 N 0.35 1.10 -0.44 -3.80 3.32 -0.97 -1.54 116.42 114.44 3n59 h ASP 88 Ca 0.10 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3n59 h ASP 88 Cb 0.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3n59 h ASP 88 CO -0.02 0.96 0.21 0.00 -1.72 0.00 0.00 179.24 178.67 3n59 h ALA 89 N 1.19 0.57 0.00 3.45 0.00 -1.41 -2.74 119.26 120.32 3n59 h ALA 89 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3n59 h ALA 89 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3n59 h ALA 89 CO -0.03 0.14 -0.11 0.00 0.00 0.00 0.00 179.25 179.25 3n59 h ALA 91 N 1.89 1.04 0.00 0.00 0.00 -0.97 -2.66 119.26 118.56 3n59 h ALA 91 Ca -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3n59 h ALA 91 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3n59 h ALA 91 CO 0.01 0.07 -0.26 0.93 0.00 0.00 0.00 179.25 180.01 3n59 h GLU 92 N 0.00 0.00 -6.65 0.00 5.08 -1.46 -3.46 114.58 108.10 3n59 h GLU 92 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3n59 h GLU 92 Cb 0.45 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.76 3n59 h GLU 92 CO 0.01 0.26 0.91 -0.51 -1.00 0.00 0.00 179.01 178.68 3n59 s LEU 93 N -6.68 4.37 -0.20 1.33 1.43 -1.01 -4.92 118.68 113.01 3n59 s LEU 93 Ca 0.02 2.73 0.14 0.00 -1.03 0.00 0.00 54.13 55.99 3n59 s LEU 93 Cb 0.09 -3.60 -0.23 0.00 0.03 0.00 0.00 46.19 42.48 3n59 s LEU 93 CO 0.66 -0.87 0.07 -1.54 0.23 0.00 0.00 176.35 174.90 3n59 n SER 94 N 3.70 0.49 -4.82 2.29 3.41 -1.26 -4.94 113.62 112.48 3n59 n SER 94 Ca 0.13 0.02 -0.33 0.00 -0.26 0.00 0.00 58.87 58.44 3n59 n SER 94 Cb 0.37 0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 64.90 3n59 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n59 s ALA 95 N -2.51 2.93 0.55 7.33 0.00 -1.26 -5.00 121.76 123.80 3n59 s ALA 95 Ca -0.14 0.31 -0.20 0.00 0.00 0.00 0.00 51.96 51.92 3n59 s ALA 95 Cb 0.07 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 3n59 s ALA 95 CO 0.79 -0.43 1.06 -2.30 0.00 0.00 0.00 175.76 174.87 3n59 n PRO 96 N -1.63 1.17 -4.38 0.00 -0.02 -1.26 -4.73 135.00 124.14 3n59 n PRO 96 Ca 0.08 0.44 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 3n59 n PRO 96 Cb 0.53 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.02 1.76 -0.19 2.45 2.96 -1.26 -1.88 118.68 120.50 3n59 s LEU 97 Ca 0.72 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3n59 s LEU 97 Cb -0.45 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 3n59 s LEU 97 CO 0.50 0.01 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.84 3n59 s ILE 98 N 1.08 3.43 -0.10 6.68 -1.09 0.31 -2.21 121.20 129.30 3n59 s ILE 98 Ca -0.04 -0.49 -0.19 0.00 -2.23 0.00 0.00 60.65 57.70 3n59 s ILE 98 Cb -0.14 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 3n59 s ILE 98 CO -0.04 0.46 0.51 -0.70 -1.23 0.00 0.00 174.94 173.94 3n59 s GLU 99 N 1.03 4.34 -0.06 2.79 2.12 -0.46 -0.34 118.70 128.12 3n59 s GLU 99 Ca 0.00 0.52 0.04 0.00 0.36 0.00 0.00 54.97 55.89 3n59 s GLU 99 Cb -0.15 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3n59 s GLU 99 CO -0.00 0.18 -0.16 0.08 -0.54 0.00 0.00 175.26 174.81 3n59 s VAL 100 N 0.54 1.41 -0.06 3.70 1.01 0.00 -0.65 120.40 126.35 3n59 s VAL 100 Ca 0.28 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3n59 s VAL 100 Cb -0.16 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.99 3n59 s VAL 100 CO 0.12 0.41 -0.15 -1.00 0.00 0.00 0.00 175.10 174.48 3n59 s HIS 101 N 0.29 1.66 0.03 5.22 3.76 -0.36 -4.19 115.29 121.70 3n59 s HIS 101 Ca -0.10 -0.60 -0.21 0.00 -0.15 0.00 0.00 55.06 54.01 3n59 s HIS 101 Cb -0.14 -1.17 -0.15 0.00 1.11 0.00 0.00 32.58 32.23 3n59 s HIS 101 CO 0.04 -0.27 1.34 0.82 -0.85 0.00 0.00 174.74 175.82 3n59 h ILE 102 N 5.77 1.35 -3.12 0.60 2.04 -1.87 -1.79 117.51 120.49 3n59 h ILE 102 Ca -0.29 -1.27 -0.47 0.00 1.00 0.00 0.00 64.86 63.83 3n59 h ILE 102 Cb 1.19 1.89 0.04 0.00 -0.74 0.00 0.00 36.82 39.20 3n59 h ILE 102 CO 0.47 0.37 0.02 -0.94 0.00 0.00 0.00 178.15 178.07 3n59 s SER 103 N -6.07 5.72 -0.64 1.72 1.04 -1.26 -2.07 113.70 112.14 3n59 s SER 103 Ca -0.14 0.46 -0.27 0.00 0.48 0.00 0.00 55.95 56.47 3n59 s SER 103 Cb 0.05 -1.59 0.03 0.00 0.10 0.00 0.00 66.02 64.61 3n59 s SER 103 CO 0.74 -0.86 1.20 0.21 0.98 0.00 0.00 173.24 175.52 3n59 s ASN 104 N -4.26 6.32 0.56 7.02 3.84 -1.26 -2.36 114.94 124.80 3n59 s ASN 104 Ca 0.51 -0.18 0.33 0.00 0.21 0.00 0.00 52.86 53.74 3n59 s ASN 104 Cb -0.10 -2.54 1.62 0.00 -0.55 0.00 0.00 41.25 39.67 3n59 s ASN 104 CO 0.41 -1.60 2.10 -0.37 -2.79 0.00 0.00 177.10 174.84 3n59 h VAL 105 N 6.09 0.25 -0.00 -5.21 -1.51 -1.93 -2.52 116.25 111.43 3n59 h VAL 105 Ca -0.26 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 3n59 h VAL 105 Cb 1.06 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3n59 h VAL 105 CO 1.22 0.06 -0.18 1.41 -1.23 0.00 0.00 177.57 178.85 3n59 n HIS 106 N -3.31 0.00 -0.47 5.19 8.25 -1.26 -3.31 115.22 120.30 3n59 n HIS 106 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 3n59 n HIS 106 Cb 0.23 -0.25 0.29 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.13 2.65 -3.00 -1.41 0.00 -0.95 -4.96 120.51 111.71 3n59 n ALA 107 Ca 0.11 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 52.09 3n59 n ALA 107 Cb 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 2.98 -1.87 0.00 1.74 -1.21 -5.08 116.66 114.26 3n59 n ARG 108 Ca 0.22 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.94 3n59 n ARG 108 Cb 0.70 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.19 3n59 n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3n59 s GLU 109 N 4.16 2.78 0.34 5.56 8.01 -1.26 -4.94 118.70 133.35 3n59 s GLU 109 Ca 0.00 1.80 0.02 0.00 0.01 0.00 0.00 54.97 56.80 3n59 s GLU 109 Cb 0.00 -1.91 0.63 0.00 -4.31 0.00 0.00 34.13 28.54 3n59 s GLU 109 CO 0.00 -1.35 1.99 0.93 0.01 0.00 0.00 175.26 176.84 3n59 h GLU 110 N 0.58 0.85 0.00 1.61 4.39 -1.96 -2.58 114.58 117.47 3n59 h GLU 110 Ca -0.50 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3n59 h GLU 110 Cb 1.30 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3n59 h GLU 110 CO 0.54 0.56 0.00 1.97 -1.16 0.00 0.00 179.01 180.92 3n59 n PHE 111 N -4.45 0.70 1.33 4.33 1.16 -1.26 -1.93 117.46 117.34 3n59 n PHE 111 Ca 0.08 0.28 0.14 0.00 -1.87 0.00 0.00 57.45 56.08 3n59 n PHE 111 Cb 0.08 -0.95 0.55 0.00 -1.61 0.00 0.00 39.48 37.56 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 -2.14 0.61 0.00 3.97 1.74 -0.97 -3.78 116.66 116.09 3n59 n ARG 112 Ca 0.02 -0.24 0.14 0.00 -0.77 0.00 0.00 57.85 57.00 3n59 n ARG 112 Cb 0.22 -1.50 0.48 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 -0.99 1.45 -4.65 5.56 1.74 -0.81 -4.71 116.66 114.25 3n59 n ARG 113 Ca 0.13 -0.86 -0.34 0.00 -0.77 0.00 0.00 57.85 56.02 3n59 n ARG 113 Cb 0.29 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.13 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 -2.14 2.90 -0.06 -1.55 2.46 -1.25 -5.05 115.29 110.60 3n59 s HIS 114 Ca 0.34 -0.16 0.01 0.00 0.47 0.00 0.00 55.06 55.71 3n59 s HIS 114 Cb 0.20 -1.76 0.02 0.00 -0.13 0.00 0.00 32.58 30.91 3n59 s HIS 114 CO 0.38 0.16 -0.06 0.45 -2.47 0.00 0.00 174.74 173.21 3n59 s SER 115 N -0.41 1.36 0.48 9.88 0.15 -1.26 -4.40 113.70 119.50 3n59 s SER 115 Ca 0.06 -0.18 0.27 0.00 0.70 0.00 0.00 55.95 56.80 3n59 s SER 115 Cb -0.12 -0.58 0.93 0.00 -1.71 0.00 0.00 66.02 64.54 3n59 s SER 115 CO 0.02 -0.06 1.82 1.88 1.20 0.00 0.00 173.24 178.10 3n59 h TYR 116 N 7.42 0.00 0.05 3.44 0.05 -1.67 -3.30 116.97 122.96 3n59 h TYR 116 Ca -0.33 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.18 3n59 h TYR 116 Cb 1.15 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.87 3n59 h TYR 116 CO 0.49 0.10 -1.40 -0.07 -1.05 0.00 0.00 178.16 176.23 3n59 h LEU 117 N 0.00 0.16 -0.44 3.88 3.38 -1.90 -3.40 115.31 116.99 3n59 h LEU 117 Ca -0.00 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3n59 h LEU 117 Cb 0.74 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3n59 h LEU 117 CO 0.01 1.19 0.21 0.28 0.09 0.00 0.00 178.44 180.23 3n59 h SER 118 N 0.03 0.30 -0.30 -0.43 0.02 -1.92 -1.87 113.55 109.38 3n59 h SER 118 Ca -0.18 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3n59 h SER 118 Cb 1.93 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.42 3n59 h SER 118 CO 0.13 0.22 0.06 -0.65 -1.14 0.00 0.00 176.83 175.45 3n59 h PRO 119 N 0.43 0.58 -0.01 3.45 0.11 -1.77 -2.46 132.00 132.33 3n59 h PRO 119 Ca 0.19 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3n59 h PRO 119 Cb 0.11 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3n59 h PRO 119 CO -0.14 0.56 -0.13 0.44 -0.21 0.00 0.00 178.00 178.52 3n59 n ILE 120 N -4.30 0.00 -2.62 4.15 -6.64 -1.12 -4.88 119.36 103.94 3n59 n ILE 120 Ca 0.02 -0.20 -0.26 0.00 -1.77 0.00 0.00 62.75 60.54 3n59 n ILE 120 Cb 0.22 0.50 0.01 0.00 -1.44 0.00 0.00 39.64 38.93 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 -2.24 3.42 -0.08 -1.28 0.00 -0.72 -4.84 121.76 116.02 3n59 s ALA 121 Ca 0.31 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 3n59 s ALA 121 Cb 0.20 -2.52 -0.29 0.00 0.00 0.00 0.00 23.12 20.51 3n59 s ALA 121 CO 0.43 -0.50 0.56 1.79 0.00 0.00 0.00 175.76 178.03 3n59 h THR 122 N 0.12 0.82 -4.00 0.00 1.35 -1.71 -3.49 112.91 106.01 3n59 h THR 122 Ca -0.46 -2.45 -0.13 0.00 -0.55 0.00 0.00 66.41 62.82 3n59 h THR 122 Cb 1.23 2.67 -0.17 0.00 -1.73 0.00 0.00 68.15 70.15 3n59 h THR 122 CO 0.61 0.87 -0.60 -0.83 -0.25 0.00 0.00 175.52 175.32 3n59 s GLY 123 N -5.28 0.29 -0.06 5.82 0.00 -1.17 -5.07 107.32 101.85 3n59 s GLY 123 Ca -0.18 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 3n59 s GLY 123 CO 0.82 -0.94 -0.01 0.14 0.00 0.00 0.00 173.10 173.11 3n59 s VAL 124 N -3.05 0.39 -0.17 1.40 1.01 -1.26 -1.35 120.40 117.37 3n59 s VAL 124 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3n59 s VAL 124 Cb 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 3n59 s VAL 124 CO -0.07 0.23 -0.09 -0.63 0.00 0.00 0.00 175.10 174.54 3n59 s ILE 125 N 1.52 3.19 -0.04 2.22 1.01 0.17 -4.98 121.20 124.30 3n59 s ILE 125 Ca -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3n59 s ILE 125 Cb -0.13 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.97 3n59 s ILE 125 CO -0.03 0.48 -0.04 -0.69 0.00 0.00 0.00 174.94 174.66 3n59 s VAL 126 N 0.85 0.45 0.00 2.92 1.01 -1.26 -1.23 120.40 123.15 3n59 s VAL 126 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3n59 s VAL 126 Cb -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3n59 s VAL 126 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3n59 n GLY 127 N 3.91 0.47 1.91 4.51 0.00 -0.67 -4.79 105.19 110.52 3n59 n GLY 127 Ca -0.24 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 3n59 n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n59 n LEU 128 N 0.00 5.96 0.00 0.99 4.77 -1.23 -4.61 117.00 122.88 3n59 n LEU 128 Ca 0.00 -3.59 0.00 0.00 -0.03 0.00 0.00 56.01 52.39 3n59 n LEU 128 Cb 0.00 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 3n59 n LEU 128 CO 0.00 1.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 3n59 n GLY 129 N -0.99 0.46 0.19 -0.72 0.00 -0.88 -3.19 105.19 100.06 3n59 n GLY 129 Ca 0.50 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.80 3n59 n GLY 129 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3n59 h ILE 130 N 0.00 0.00 0.00 -0.61 3.07 -1.94 -2.80 117.51 115.22 3n59 h ILE 130 Ca 0.00 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.05 3n59 h ILE 130 Cb 0.00 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 3n59 h ILE 130 CO 0.00 0.00 0.00 1.67 -1.05 0.00 0.00 178.15 178.77 3n59 n GLN 131 N -2.59 0.10 0.15 0.16 7.27 -1.19 -1.91 117.38 119.37 3n59 n GLN 131 Ca 0.02 0.37 0.04 0.00 0.07 0.00 0.00 57.00 57.50 3n59 n GLN 131 Cb 0.27 -1.71 0.45 0.00 2.41 0.00 0.00 30.24 31.67 3n59 n GLN 131 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3n59 h GLY 132 N 2.10 0.21 0.82 1.69 0.00 -1.47 -0.65 103.07 105.77 3n59 h GLY 132 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 3n59 h GLY 132 CO 0.00 0.10 -0.11 -0.97 0.00 0.00 0.00 176.54 175.56 3n59 h TYR 133 N 0.19 0.52 -0.25 5.60 -1.99 -1.62 -2.25 116.97 117.18 3n59 h TYR 133 Ca 0.04 -0.13 -0.12 0.00 2.00 0.00 0.00 58.73 60.52 3n59 h TYR 133 Cb 0.25 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 3n59 h TYR 133 CO 0.00 0.74 -0.36 -0.07 -0.00 0.00 0.00 178.16 178.48 3n59 h LEU 134 N 0.15 0.57 -0.95 3.88 3.38 -1.58 -1.20 115.31 119.55 3n59 h LEU 134 Ca 0.05 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 3n59 h LEU 134 Cb 0.61 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3n59 h LEU 134 CO 0.03 0.88 -0.51 -0.07 0.09 0.00 0.00 178.44 178.86 3n59 h LEU 135 N 0.46 0.00 -0.52 1.67 3.38 -1.18 -2.27 115.31 116.85 3n59 h LEU 135 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3n59 h LEU 135 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3n59 h LEU 135 CO 0.07 0.51 -0.59 0.00 0.09 0.00 0.00 178.44 178.52 3n59 h ALA 136 N 1.49 0.70 -0.59 1.53 0.00 -0.95 -2.86 119.26 118.58 3n59 h ALA 136 Ca -0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3n59 h ALA 136 Cb 0.93 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3n59 h ALA 136 CO 0.07 0.70 0.18 -0.07 0.00 0.00 0.00 179.25 180.13 3n59 h LEU 137 N 0.36 0.87 -0.59 0.00 3.38 -1.04 -3.04 115.31 115.24 3n59 h LEU 137 Ca -0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3n59 h LEU 137 Cb 1.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3n59 h LEU 137 CO 0.11 0.85 0.30 -0.09 0.09 0.00 0.00 178.44 179.69 3n59 h ARG 138 N 0.84 0.84 -0.61 1.13 2.43 -1.36 -2.50 114.38 115.16 3n59 h ARG 138 Ca 0.19 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3n59 h ARG 138 Cb 0.30 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3n59 h ARG 138 CO -0.00 0.67 0.35 -0.92 -1.51 0.00 0.00 179.97 178.56 3n59 h TYR 139 N 0.80 0.66 0.00 2.20 3.20 -1.50 -2.65 116.97 119.68 3n59 h TYR 139 Ca 0.20 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3n59 h TYR 139 Cb 0.10 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 3n59 h TYR 139 CO -0.00 0.35 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.73 3n59 h LEU 140 N 0.68 0.00 -0.64 2.82 3.38 -1.36 -1.00 115.31 119.19 3n59 h LEU 140 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3n59 h LEU 140 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3n59 h LEU 140 CO -0.13 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.46 3n59 h ALA 141 N 1.94 1.00 0.00 1.53 0.00 -1.07 -3.25 119.26 119.40 3n59 h ALA 141 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n59 h ALA 141 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3n59 h ALA 141 CO 0.01 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.65 3n59 n GLU 142 N -2.41 -0.00 0.00 0.00 1.02 -0.68 -5.12 120.64 113.44 3n59 n GLU 142 Ca 0.03 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 3n59 n GLU 142 Cb 0.30 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03