#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 5.33 -0.10 1.96 1.01 -1.26 -0.13 121.20 128.00 3n59 s ILE 4 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 60.65 61.06 3n59 s ILE 4 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.91 3n59 s ILE 4 CO 0.00 0.37 -0.17 -0.69 0.00 0.00 0.00 174.94 174.45 3n59 s VAL 5 N 0.72 1.57 -0.23 2.92 1.01 0.03 -3.97 120.40 122.44 3n59 s VAL 5 Ca 0.13 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3n59 s VAL 5 Cb -0.13 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3n59 s VAL 5 CO 0.03 0.45 0.47 0.20 0.00 0.00 0.00 175.10 176.25 3n59 s ASN 6 N 0.84 6.45 -0.37 3.32 0.01 -0.44 -1.47 114.94 123.28 3n59 s ASN 6 Ca -0.09 0.53 -0.10 0.00 -0.71 0.00 0.00 52.86 52.49 3n59 s ASN 6 Cb -0.15 -2.26 0.03 0.00 0.41 0.00 0.00 41.25 39.27 3n59 s ASN 6 CO 0.01 -0.19 0.18 -0.69 -1.51 0.00 0.00 177.10 174.90 3n59 s VAL 7 N 1.82 4.35 -0.21 1.60 1.01 -0.16 0.01 120.40 128.82 3n59 s VAL 7 Ca 0.21 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3n59 s VAL 7 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 3n59 s VAL 7 CO 0.09 -0.22 -0.07 -0.63 0.00 0.00 0.00 175.10 174.27 3n59 s ILE 8 N 1.51 3.20 -0.14 2.22 1.01 0.36 -1.36 121.20 128.00 3n59 s ILE 8 Ca 0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 3n59 s ILE 8 Cb -0.19 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 3n59 s ILE 8 CO 0.06 0.44 -0.04 0.20 0.00 0.00 0.00 174.94 175.60 3n59 s ASN 9 N 1.40 4.84 0.01 3.58 0.01 -0.37 -1.17 114.94 123.23 3n59 s ASN 9 Ca 0.05 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 3n59 s ASN 9 Cb -0.14 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.83 3n59 s ASN 9 CO -0.04 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.37 3n59 n GLY 10 N 3.25 0.35 3.57 0.66 0.00 0.18 -1.77 105.19 111.44 3n59 n GLY 10 Ca -0.18 -1.80 -0.43 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 -0.01 1.19 -0.71 1.61 -0.02 -1.11 -2.85 135.00 133.10 3n59 n PRO 11 Ca 0.00 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3n59 n PRO 11 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.98 -0.37 -0.04 2.55 3.02 -1.26 -4.60 115.26 115.53 3n59 n ASN 12 Ca 0.10 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 3n59 n ASN 12 Cb 0.36 -1.63 0.46 0.00 -0.61 0.00 0.00 39.78 38.36 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 0.36 -0.09 3.41 4.77 -1.13 -2.58 117.00 121.75 3n59 n LEU 13 Ca 0.00 0.15 0.15 0.00 -0.03 0.00 0.00 56.01 56.27 3n59 n LEU 13 Cb 0.02 -0.31 0.69 0.00 -2.33 0.00 0.00 43.42 41.50 3n59 n LEU 13 CO 0.00 0.08 0.94 0.61 -1.33 0.00 0.00 177.39 177.69 3n59 n GLY 14 N 1.44 -0.99 0.89 -0.72 0.00 -1.26 -3.74 105.19 100.80 3n59 n GLY 14 Ca 0.09 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 2.17 -1.64 1.61 5.12 -1.06 -4.69 116.66 117.17 3n59 n ARG 15 Ca 0.16 -1.76 -0.45 0.00 -1.93 0.00 0.00 57.85 53.87 3n59 n ARG 15 Cb 0.25 -1.46 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.00 2.67 0.00 0.55 4.77 -1.25 -3.19 117.00 121.55 3n59 n LEU 16 Ca 0.18 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 3n59 n LEU 16 Cb 0.49 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 3n59 n LEU 16 CO 0.15 -0.82 0.00 0.61 -1.33 0.00 0.00 177.39 176.00 3n59 n GLY 17 N 1.59 2.00 1.70 -0.72 0.00 -1.16 -4.09 105.19 104.52 3n59 n GLY 17 Ca 0.10 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 1.38 0.00 1.61 1.85 -1.19 -4.74 116.66 115.57 3n59 n ARG 18 Ca 0.00 -0.62 0.00 0.00 -1.00 0.00 0.00 57.85 56.23 3n59 n ARG 18 Cb 0.00 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 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 1.28 0.00 0.00 2.89 0.00 -1.26 -5.14 105.19 102.96 3n59 n GLY 25 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.87 3.70 -0.02 0.00 -1.26 -5.07 105.19 103.41 3n59 n GLY 26 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3n59 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n59 s THR 27 N -0.36 3.43 0.78 2.61 2.01 -1.26 -4.38 115.64 118.46 3n59 s THR 27 Ca 0.00 0.96 -0.10 0.00 0.31 0.00 0.00 61.69 62.86 3n59 s THR 27 Cb 0.00 -3.61 0.08 0.00 0.01 0.00 0.00 72.50 68.98 3n59 s THR 27 CO 0.00 0.04 1.12 0.42 -0.69 0.00 0.00 174.62 175.51 3n59 s THR 28 N 1.68 2.11 0.15 -0.82 -4.23 -1.26 -2.97 115.64 110.30 3n59 s THR 28 Ca 0.65 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 3n59 s THR 28 Cb -0.35 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 3n59 s THR 28 CO 0.29 0.00 1.52 -0.74 -0.54 0.00 0.00 174.62 175.15 3n59 h HIS 29 N -0.91 1.11 -0.89 3.99 6.17 -1.84 -1.89 115.15 120.90 3n59 h HIS 29 Ca -0.45 -0.29 0.08 0.00 0.71 0.00 0.00 60.37 60.41 3n59 h HIS 29 Cb 1.32 -0.25 -0.07 0.00 2.52 0.00 0.00 27.41 30.93 3n59 h HIS 29 CO 0.21 1.11 0.55 -0.44 0.71 0.00 0.00 177.93 180.07 3n59 h ASP 30 N 0.79 0.84 0.01 3.26 3.32 -1.94 -0.81 116.42 121.88 3n59 h ASP 30 Ca 0.09 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 3n59 h ASP 30 Cb 0.85 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3n59 h ASP 30 CO 0.08 0.51 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.30 3n59 h GLU 31 N 0.96 0.54 -0.29 3.56 5.08 -1.92 -2.58 114.58 119.93 3n59 h GLU 31 Ca 0.40 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3n59 h GLU 31 Cb 0.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3n59 h GLU 31 CO -0.20 0.90 0.13 1.25 -1.00 0.00 0.00 179.01 180.09 3n59 h LEU 32 N 0.43 0.39 -0.51 1.33 5.85 -0.64 0.36 115.31 122.52 3n59 h LEU 32 Ca 0.02 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.68 3n59 h LEU 32 Cb 0.99 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 3n59 h LEU 32 CO 0.09 0.42 0.17 0.58 -0.34 0.00 0.00 178.44 179.36 3n59 h VAL 33 N 0.33 0.79 -0.59 1.05 2.07 -1.14 0.11 116.25 118.87 3n59 h VAL 33 Ca 0.10 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3n59 h VAL 33 Cb 0.14 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3n59 h VAL 33 CO -0.01 0.06 0.38 0.00 0.02 0.00 0.00 177.57 178.02 3n59 h ALA 34 N 1.36 0.75 -0.38 1.67 0.00 -1.15 -1.34 119.26 120.18 3n59 h ALA 34 Ca 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3n59 h ALA 34 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3n59 h ALA 34 CO -0.27 0.21 0.22 -0.07 0.00 0.00 0.00 179.25 179.33 3n59 h LEU 35 N 0.80 0.46 -0.30 0.00 3.38 -0.32 -2.07 115.31 117.26 3n59 h LEU 35 Ca 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3n59 h LEU 35 Cb -0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3n59 h LEU 35 CO -0.04 0.40 0.09 0.40 0.09 0.00 0.00 178.44 179.37 3n59 h ILE 36 N 0.49 1.20 -0.73 1.22 2.04 -0.79 -1.84 117.51 119.11 3n59 h ILE 36 Ca 0.13 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3n59 h ILE 36 Cb 0.03 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3n59 h ILE 36 CO -0.02 0.22 0.37 -0.33 0.00 0.00 0.00 178.15 178.39 3n59 h GLU 37 N 0.32 1.04 -0.68 2.37 5.08 -1.22 0.44 114.58 121.93 3n59 h GLU 37 Ca 0.10 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3n59 h GLU 37 Cb 0.25 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3n59 h GLU 37 CO -0.00 0.80 0.15 -0.09 -1.00 0.00 0.00 179.01 178.86 3n59 h ARG 38 N 1.02 1.10 -0.27 2.33 1.12 -1.29 -1.33 114.38 117.06 3n59 h ARG 38 Ca 0.25 -0.28 -0.16 0.00 -1.11 0.00 0.00 59.98 58.69 3n59 h ARG 38 Cb 0.08 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 3n59 h ARG 38 CO -0.04 0.99 -0.46 1.49 -3.11 0.00 0.00 179.97 178.84 3n59 h GLU 39 N 1.03 0.71 -0.59 0.20 4.57 -1.03 -2.86 114.58 116.61 3n59 h GLU 39 Ca 0.21 -0.40 -0.11 0.00 -1.18 0.00 0.00 59.36 57.88 3n59 h GLU 39 Cb 0.39 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3n59 h GLU 39 CO 0.01 1.02 -0.04 0.00 -1.18 0.00 0.00 179.01 178.81 3n59 h ALA 40 N 0.91 0.80 -0.79 2.92 0.00 -0.75 -2.79 119.26 119.57 3n59 h ALA 40 Ca 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3n59 h ALA 40 Cb 1.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3n59 h ALA 40 CO 0.10 0.68 0.42 0.00 0.00 0.00 0.00 179.25 180.44 3n59 h ALA 41 N 0.97 1.01 0.00 0.00 0.00 -1.22 0.25 119.26 120.26 3n59 h ALA 41 Ca 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3n59 h ALA 41 Cb 0.61 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3n59 h ALA 41 CO 0.04 0.53 -0.14 0.93 0.00 0.00 0.00 179.25 180.61 3n59 h GLU 42 N 1.09 0.00 -0.00 0.00 5.08 -1.38 -2.78 114.58 116.59 3n59 h GLU 42 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3n59 h GLU 42 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3n59 h GLU 42 CO -0.04 0.14 -0.69 1.28 -1.00 0.00 0.00 179.01 178.70 3n59 n LEU 43 N -3.47 0.92 -0.13 1.33 4.77 -0.94 -4.97 117.00 114.50 3n59 n LEU 43 Ca -0.01 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3n59 n LEU 43 Cb 0.31 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3n59 n LEU 43 CO 0.30 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3n59 n GLY 44 N 1.48 0.93 3.31 -0.72 0.00 -0.72 -5.01 105.19 104.46 3n59 n GLY 44 Ca 0.06 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.26 2.47 -0.19 0.99 1.43 0.79 -4.80 118.68 119.11 3n59 s LEU 45 Ca 0.00 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 3n59 s LEU 45 Cb 0.00 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 3n59 s LEU 45 CO 0.00 -0.13 -0.01 -0.75 0.23 0.00 0.00 176.35 175.69 3n59 s LYS 46 N -3.08 3.62 -0.18 1.70 2.20 0.81 -3.40 119.74 121.40 3n59 s LYS 46 Ca 0.16 -0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 55.20 3n59 s LYS 46 Cb -0.03 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 3n59 s LYS 46 CO 0.05 0.07 -0.01 0.00 -0.36 0.00 0.00 175.35 175.10 3n59 s ALA 47 N 0.83 3.01 -0.37 3.13 0.00 -1.26 -0.79 121.76 126.32 3n59 s ALA 47 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 3n59 s ALA 47 Cb -0.14 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.33 3n59 s ALA 47 CO 0.02 -0.03 0.17 0.08 0.00 0.00 0.00 175.76 176.01 3n59 s VAL 48 N 0.78 4.16 -0.24 0.00 1.01 -0.54 -4.88 120.40 120.69 3n59 s VAL 48 Ca -0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 3n59 s VAL 48 Cb -0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3n59 s VAL 48 CO 0.02 -0.27 0.07 -0.69 0.00 0.00 0.00 175.10 174.23 3n59 s VAL 49 N 1.46 4.41 0.02 2.92 1.01 -1.26 -0.99 120.40 127.96 3n59 s VAL 49 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3n59 s VAL 49 Cb -0.20 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3n59 s VAL 49 CO 0.04 0.36 -0.07 -0.13 0.00 0.00 0.00 175.10 175.30 3n59 s ARG 50 N 1.37 0.50 -0.03 2.72 0.52 -0.47 -5.00 118.95 118.56 3n59 s ARG 50 Ca 0.05 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 3n59 s ARG 50 Cb -0.15 -0.39 -0.00 0.00 0.52 0.00 0.00 34.95 34.93 3n59 s ARG 50 CO 0.04 0.09 -0.14 -1.14 0.02 0.00 0.00 175.30 174.17 3n59 s GLN 51 N -0.77 1.38 -0.08 3.54 -0.44 -1.26 -1.24 119.66 120.79 3n59 s GLN 51 Ca -0.03 -0.50 -0.14 0.00 -2.50 0.00 0.00 55.36 52.19 3n59 s GLN 51 Cb -0.06 -1.26 0.03 0.00 -1.64 0.00 0.00 33.01 30.09 3n59 s GLN 51 CO 0.00 0.24 0.34 0.45 0.50 0.00 0.00 175.29 176.82 3n59 s SER 52 N -0.05 -0.30 0.05 6.67 0.15 -0.73 -4.99 113.70 114.49 3n59 s SER 52 Ca -0.00 0.43 0.26 0.00 0.70 0.00 0.00 55.95 57.34 3n59 s SER 52 Cb -0.09 0.54 0.63 0.00 -1.71 0.00 0.00 66.02 65.39 3n59 s SER 52 CO 0.01 -0.28 1.52 0.47 1.20 0.00 0.00 173.24 176.15 3n59 n ASP 53 N 2.11 0.47 -4.64 5.45 8.00 -1.26 -2.76 116.55 123.91 3n59 n ASP 53 Ca -0.17 0.06 -0.40 0.00 0.71 0.00 0.00 54.79 54.98 3n59 n ASP 53 Cb 0.57 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 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 -3.43 6.64 0.19 -2.24 0.15 -1.26 -4.61 113.70 109.14 3n59 s SER 54 Ca 0.10 0.78 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 3n59 s SER 54 Cb 0.16 -2.35 0.16 0.00 -1.71 0.00 0.00 66.02 62.28 3n59 s SER 54 CO 0.66 -0.32 1.79 -0.08 1.20 0.00 0.00 173.24 176.49 3n59 h GLU 55 N 7.66 0.51 -0.85 5.44 4.81 -2.00 -2.43 114.58 127.72 3n59 h GLU 55 Ca -0.29 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 3n59 h GLU 55 Cb 1.13 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 3n59 h GLU 55 CO 0.78 0.34 0.56 0.00 -0.73 0.00 0.00 179.01 179.96 3n59 h ALA 56 N 1.29 1.48 -0.27 2.92 0.00 -2.00 -1.32 119.26 121.37 3n59 h ALA 56 Ca 0.24 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3n59 h ALA 56 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3n59 h ALA 56 CO -0.16 0.43 -0.34 0.37 0.00 0.00 0.00 179.25 179.55 3n59 h GLN 57 N 1.05 0.57 -0.39 0.00 5.75 -1.90 -2.38 115.11 117.82 3n59 h GLN 57 Ca 0.34 -0.26 -0.11 0.00 -0.15 0.00 0.00 58.65 58.47 3n59 h GLN 57 Cb 0.05 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3n59 h GLN 57 CO -0.10 0.84 -0.20 -0.07 -2.65 0.00 0.00 178.83 176.65 3n59 h LEU 58 N 0.49 0.84 -0.59 -2.39 3.38 -0.88 -2.31 115.31 113.85 3n59 h LEU 58 Ca 0.05 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3n59 h LEU 58 Cb 0.82 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3n59 h LEU 58 CO 0.07 1.06 0.34 -0.07 0.09 0.00 0.00 178.44 179.93 3n59 h LEU 59 N 0.62 0.72 -0.57 1.67 3.38 -1.22 -1.53 115.31 118.39 3n59 h LEU 59 Ca 0.09 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3n59 h LEU 59 Cb 0.75 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3n59 h LEU 59 CO 0.06 0.59 0.32 -0.78 0.09 0.00 0.00 178.44 178.72 3n59 h ASP 60 N 0.79 0.50 -0.44 -0.43 3.58 -1.37 0.19 116.42 119.24 3n59 h ASP 60 Ca 0.21 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.61 3n59 h ASP 60 Cb 0.01 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3n59 h ASP 60 CO -0.04 0.35 0.05 -0.50 -2.88 0.00 0.00 179.24 176.23 3n59 h TRP 61 N 0.63 0.86 -0.22 0.28 6.55 -1.09 -2.21 115.95 120.75 3n59 h TRP 61 Ca 0.24 -0.10 -0.17 0.00 0.95 0.00 0.00 58.89 59.80 3n59 h TRP 61 Cb 0.08 -0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 28.13 3n59 h TRP 61 CO -0.07 0.76 -0.56 0.82 -1.05 0.00 0.00 178.44 178.34 3n59 h ILE 62 N 0.77 1.30 -0.76 1.49 2.04 -0.82 -2.56 117.51 118.97 3n59 h ILE 62 Ca 0.16 -1.79 0.05 0.00 1.00 0.00 0.00 64.86 64.27 3n59 h ILE 62 Cb 0.39 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 3n59 h ILE 62 CO 0.01 0.57 0.47 0.45 0.00 0.00 0.00 178.15 179.64 3n59 h HIS 63 N 0.51 0.87 -0.51 1.37 3.86 -0.39 -1.04 115.15 119.82 3n59 h HIS 63 Ca 0.01 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 3n59 h HIS 63 Cb 1.13 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 3n59 h HIS 63 CO 0.06 0.46 -0.02 1.96 0.86 0.00 0.00 177.93 181.25 3n59 h GLN 64 N 0.88 0.88 -0.08 2.45 4.20 -1.32 -1.96 115.11 120.16 3n59 h GLN 64 Ca 0.32 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 3n59 h GLN 64 Cb 0.10 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3n59 h GLN 64 CO -0.15 0.89 -0.45 0.00 -0.67 0.00 0.00 178.83 178.45 3n59 h ALA 65 N 1.16 1.09 -0.20 3.87 0.00 -1.07 -0.80 119.26 123.30 3n59 h ALA 65 Ca 0.15 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3n59 h ALA 65 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3n59 h ALA 65 CO 0.03 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.84 3n59 h ALA 66 N 1.38 0.28 -0.70 0.00 0.00 -0.95 -0.25 119.26 119.02 3n59 h ALA 66 Ca 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3n59 h ALA 66 Cb 0.87 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3n59 h ALA 66 CO 0.07 0.06 0.22 -0.44 0.00 0.00 0.00 179.25 179.16 3n59 h ASP 67 N 0.11 1.00 0.37 0.00 3.32 -1.24 -2.90 116.42 117.08 3n59 h ASP 67 Ca 0.05 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3n59 h ASP 67 Cb 0.50 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3n59 h ASP 67 CO 0.02 0.93 -0.21 0.00 -1.72 0.00 0.00 179.24 178.26 3n59 n ALA 68 N -2.45 2.97 -3.75 3.45 0.00 -0.32 -4.96 120.51 115.45 3n59 n ALA 68 Ca 0.06 -0.32 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 3n59 n ALA 68 Cb 0.22 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.94 -1.80 -2.61 0.00 0.00 -0.19 -5.00 120.51 109.97 3n59 n ALA 69 Ca 0.12 -0.05 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 3n59 n ALA 69 Cb 0.32 -2.73 -0.11 0.00 0.00 0.00 0.00 19.45 16.93 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 -6.16 2.74 0.61 0.00 2.02 -0.67 -4.66 118.70 112.58 3n59 s GLU 70 Ca 0.20 -0.57 -0.19 0.00 0.02 0.00 0.00 54.97 54.42 3n59 s GLU 70 Cb -0.10 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 3n59 s GLU 70 CO 0.81 0.65 1.25 -2.30 0.02 0.00 0.00 175.26 175.70 3n59 n PRO 71 N 1.99 1.24 -4.82 0.39 -0.02 -1.25 -4.71 135.00 127.83 3n59 n PRO 71 Ca -0.17 0.48 -0.28 0.00 -2.02 0.00 0.00 63.50 61.51 3n59 n PRO 71 Cb 0.53 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 3n59 n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3n59 s VAL 72 N -1.38 1.52 -0.33 -1.45 1.01 -0.70 -1.32 120.40 117.75 3n59 s VAL 72 Ca 0.78 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3n59 s VAL 72 Cb -0.40 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3n59 s VAL 72 CO 0.44 0.44 0.14 -0.63 0.00 0.00 0.00 175.10 175.49 3n59 s ILE 73 N 0.57 4.26 -0.20 2.22 1.01 0.10 -0.58 121.20 128.57 3n59 s ILE 73 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3n59 s ILE 73 Cb -0.17 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 39.05 3n59 s ILE 73 CO 0.05 -0.05 -0.16 -0.22 0.00 0.00 0.00 174.94 174.57 3n59 s LEU 74 N 1.53 2.51 -0.48 2.97 2.96 0.74 -0.48 118.68 128.42 3n59 s LEU 74 Ca 0.02 -0.75 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 3n59 s LEU 74 Cb -0.18 -1.54 0.13 0.00 0.50 0.00 0.00 46.19 45.10 3n59 s LEU 74 CO 0.05 -0.04 0.31 0.21 -1.32 0.00 0.00 176.35 175.55 3n59 s ASN 75 N 1.29 5.43 0.00 3.68 3.84 -0.32 -1.38 114.94 127.48 3n59 s ASN 75 Ca 0.03 -2.17 0.29 0.00 0.21 0.00 0.00 52.86 51.21 3n59 s ASN 75 Cb -0.14 -1.90 1.22 0.00 -0.55 0.00 0.00 41.25 39.88 3n59 s ASN 75 CO -0.10 -0.56 1.85 0.00 -2.79 0.00 0.00 177.10 175.50 3n59 n ALA 76 N 4.46 2.74 -0.95 1.71 0.00 -1.26 0.51 120.51 127.73 3n59 n ALA 76 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3n59 n ALA 76 Cb 0.41 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.21 3.32 0.25 0.00 0.00 -1.26 -2.53 105.19 106.19 3n59 n GLY 77 Ca 0.17 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.60 103.07 100.50 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 -1.08 3.11 3.38 -1.88 -2.55 115.31 116.28 3n59 h LEU 79 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3n59 h LEU 79 Cb 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3n59 h LEU 79 CO 0.01 0.00 0.62 0.74 0.09 0.00 0.00 178.44 179.90 3n59 h THR 80 N 0.00 0.80 -0.01 0.22 2.02 -1.60 -0.57 112.91 113.78 3n59 h THR 80 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3n59 h THR 80 Cb 0.24 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3n59 h THR 80 CO 0.00 0.15 -0.50 1.41 0.37 0.00 0.00 175.52 176.95 3n59 n HIS 81 N -4.66 0.00 0.00 3.16 8.25 -0.96 -1.53 115.22 119.48 3n59 n HIS 81 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3n59 n HIS 81 Cb 0.48 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.57 0.00 -3.41 1.59 -2.24 -1.01 -4.82 114.28 103.81 3n59 n THR 82 Ca 0.09 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.43 3n59 n THR 82 Cb 0.40 -0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.68 6.13 0.14 3.42 0.15 -0.25 -4.89 113.70 116.73 3n59 s SER 83 Ca 0.00 -1.14 -0.03 0.00 0.70 0.00 0.00 55.95 55.48 3n59 s SER 83 Cb 0.00 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 3n59 s SER 83 CO 0.00 -0.57 1.34 0.58 1.20 0.00 0.00 173.24 175.79 3n59 h VAL 84 N 5.70 1.40 -0.49 4.45 2.07 -1.96 -3.06 116.25 124.37 3n59 h VAL 84 Ca -0.28 -2.36 0.06 0.00 0.82 0.00 0.00 66.70 64.94 3n59 h VAL 84 Cb 1.11 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 3n59 h VAL 84 CO 0.82 0.71 0.19 0.00 0.02 0.00 0.00 177.57 179.31 3n59 h ALA 85 N 0.80 0.60 -0.66 1.67 0.00 -1.98 0.44 119.26 120.13 3n59 h ALA 85 Ca -0.06 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3n59 h ALA 85 Cb 1.50 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 3n59 h ALA 85 CO 0.15 -0.19 0.10 1.25 0.00 0.00 0.00 179.25 180.56 3n59 h LEU 86 N 0.38 1.04 -0.26 0.00 5.85 -1.95 -2.31 115.31 118.06 3n59 h LEU 86 Ca 0.23 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3n59 h LEU 86 Cb 0.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3n59 h LEU 86 CO -0.22 1.03 0.17 -0.09 -0.34 0.00 0.00 178.44 178.99 3n59 h ARG 87 N 1.01 0.34 -0.71 1.25 2.43 -1.28 -1.75 114.38 115.67 3n59 h ARG 87 Ca 0.20 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3n59 h ARG 87 Cb 0.44 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3n59 h ARG 87 CO 0.01 0.22 0.38 -0.44 -1.51 0.00 0.00 179.97 178.64 3n59 h ASP 88 N 0.35 0.88 -0.28 -3.80 3.32 -0.77 -1.21 116.42 114.91 3n59 h ASP 88 Ca 0.10 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3n59 h ASP 88 Cb -0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3n59 h ASP 88 CO -0.03 0.71 0.11 0.00 -1.72 0.00 0.00 179.24 178.31 3n59 h ALA 89 N 1.43 0.36 0.00 3.45 0.00 -1.20 -2.85 119.26 120.46 3n59 h ALA 89 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3n59 h ALA 89 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3n59 h ALA 89 CO -0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 3n59 h ALA 91 N 1.94 1.39 0.00 0.00 0.00 -0.98 -2.68 119.26 118.92 3n59 h ALA 91 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3n59 h ALA 91 Cb 0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3n59 h ALA 91 CO 0.01 0.26 -0.11 0.93 0.00 0.00 0.00 179.25 180.34 3n59 h GLU 92 N 0.00 0.00 -6.66 0.00 5.08 -1.50 -3.45 114.58 108.05 3n59 h GLU 92 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.83 3n59 h GLU 92 Cb 0.44 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.74 3n59 h GLU 92 CO 0.03 0.11 0.87 -0.51 -1.00 0.00 0.00 179.01 178.50 3n59 s LEU 93 N -6.49 4.37 -0.20 1.33 1.43 -1.01 -4.89 118.68 113.22 3n59 s LEU 93 Ca 0.01 2.68 0.05 0.00 -1.03 0.00 0.00 54.13 55.85 3n59 s LEU 93 Cb 0.09 -3.60 -0.21 0.00 0.03 0.00 0.00 46.19 42.50 3n59 s LEU 93 CO 0.60 -0.82 0.05 -1.54 0.23 0.00 0.00 176.35 174.87 3n59 n SER 94 N 3.46 1.40 -4.80 2.29 3.41 -1.26 -4.96 113.62 113.15 3n59 n SER 94 Ca 0.12 0.02 -0.32 0.00 -0.26 0.00 0.00 58.87 58.43 3n59 n SER 94 Cb 0.38 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.53 2.62 0.63 7.33 0.00 -1.26 -4.99 121.76 123.55 3n59 s ALA 95 Ca -0.23 0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 3n59 s ALA 95 Cb 0.08 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3n59 s ALA 95 CO 0.71 -1.17 1.05 -2.30 0.00 0.00 0.00 175.76 174.05 3n59 n PRO 96 N -2.75 0.91 -4.08 0.00 -0.02 -1.26 -4.75 135.00 123.05 3n59 n PRO 96 Ca 0.08 0.36 -0.26 0.00 -2.02 0.00 0.00 63.50 61.66 3n59 n PRO 96 Cb 0.53 -2.27 -0.17 0.00 -0.02 0.00 0.00 33.50 31.58 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 -2.73 1.31 -0.24 2.45 2.96 -1.26 -1.71 118.68 119.46 3n59 s LEU 97 Ca 0.78 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 3n59 s LEU 97 Cb -0.40 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.46 3n59 s LEU 97 CO 0.45 -0.08 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.74 3n59 s ILE 98 N 1.42 3.33 -0.03 6.68 -1.09 0.25 -0.28 121.20 131.48 3n59 s ILE 98 Ca -0.00 -0.68 -0.25 0.00 -2.23 0.00 0.00 60.65 57.48 3n59 s ILE 98 Cb -0.13 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 3n59 s ILE 98 CO -0.05 0.30 0.78 -0.70 -1.23 0.00 0.00 174.94 174.04 3n59 s GLU 99 N 1.44 4.48 -0.05 2.79 2.12 -0.26 -0.19 118.70 129.03 3n59 s GLU 99 Ca 0.04 1.05 0.03 0.00 0.36 0.00 0.00 54.97 56.45 3n59 s GLU 99 Cb -0.15 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.80 3n59 s GLU 99 CO -0.03 0.07 -0.15 0.08 -0.54 0.00 0.00 175.26 174.69 3n59 s VAL 100 N 0.72 1.28 -0.03 3.70 1.01 -0.48 -0.48 120.40 126.13 3n59 s VAL 100 Ca 0.41 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3n59 s VAL 100 Cb -0.19 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3n59 s VAL 100 CO 0.21 0.38 -0.17 -1.00 0.00 0.00 0.00 175.10 174.52 3n59 s HIS 101 N 0.24 1.63 0.00 5.22 3.76 0.24 -4.26 115.29 122.13 3n59 s HIS 101 Ca -0.07 -0.40 -0.22 0.00 -0.15 0.00 0.00 55.06 54.22 3n59 s HIS 101 Cb -0.12 -1.08 -0.19 0.00 1.11 0.00 0.00 32.58 32.30 3n59 s HIS 101 CO 0.03 -0.10 1.21 0.82 -0.85 0.00 0.00 174.74 175.84 3n59 h ILE 102 N 5.02 1.42 -2.98 0.60 2.04 -1.86 -2.65 117.51 119.09 3n59 h ILE 102 Ca -0.34 -1.59 -0.48 0.00 1.00 0.00 0.00 64.86 63.45 3n59 h ILE 102 Cb 1.16 2.26 0.02 0.00 -0.74 0.00 0.00 36.82 39.53 3n59 h ILE 102 CO 0.48 0.45 -0.10 -0.94 0.00 0.00 0.00 178.15 178.04 3n59 s SER 103 N -6.22 6.22 -0.70 1.72 1.04 -1.26 -1.90 113.70 112.59 3n59 s SER 103 Ca -0.15 0.54 -0.26 0.00 0.48 0.00 0.00 55.95 56.56 3n59 s SER 103 Cb 0.03 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.14 3n59 s SER 103 CO 0.75 -0.42 1.60 0.21 0.98 0.00 0.00 173.24 176.36 3n59 s ASN 104 N -4.08 5.70 0.25 7.02 3.84 -1.26 -2.64 114.94 123.76 3n59 s ASN 104 Ca 0.43 -0.13 0.21 0.00 0.21 0.00 0.00 52.86 53.58 3n59 s ASN 104 Cb -0.10 -2.55 0.97 0.00 -0.55 0.00 0.00 41.25 39.02 3n59 s ASN 104 CO 0.38 -2.13 1.63 0.55 -2.79 0.00 0.00 177.10 174.74 3n59 n VAL 105 N 6.87 1.01 1.03 -5.21 3.14 -1.26 -1.64 118.33 122.27 3n59 n VAL 105 Ca 0.14 0.46 0.11 0.00 -2.96 0.00 0.00 64.34 62.09 3n59 n VAL 105 Cb 0.50 -1.41 0.11 0.00 -1.06 0.00 0.00 33.84 31.99 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 -2.15 0.00 -0.34 1.45 8.25 -1.26 -3.89 115.22 117.28 3n59 n HIS 106 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 3n59 n HIS 106 Cb 0.13 -0.13 0.32 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.29 2.79 -3.00 -1.41 0.00 -0.65 -4.93 120.51 112.02 3n59 n ALA 107 Ca 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.14 3n59 n ALA 107 Cb 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.24 3.65 -1.21 0.00 1.74 -1.25 -5.09 116.66 115.74 3n59 n ARG 108 Ca 0.24 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.98 3n59 n ARG 108 Cb 0.73 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.29 3n59 n ARG 108 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3n59 n GLU 109 N 0.00 0.34 0.16 5.56 4.71 -1.26 -4.94 120.64 125.20 3n59 n GLU 109 Ca 0.00 0.19 0.01 0.00 -0.01 0.00 0.00 57.16 57.35 3n59 n GLU 109 Cb 0.00 -2.46 0.32 0.00 -1.01 0.00 0.00 31.44 28.29 3n59 n GLU 109 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3n59 h GLU 110 N -0.67 0.07 0.00 3.49 4.39 -1.96 -2.95 114.58 116.96 3n59 h GLU 110 Ca -0.47 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3n59 h GLU 110 Cb 1.31 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3n59 h GLU 110 CO 0.47 0.44 0.00 0.27 -1.16 0.00 0.00 179.01 179.03 3n59 h PHE 111 N 0.06 0.00 0.00 4.33 -5.15 -1.96 -1.77 116.94 112.46 3n59 h PHE 111 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3n59 h PHE 111 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.87 3n59 h PHE 111 CO 0.00 0.00 -0.03 0.54 -2.00 0.00 0.00 178.31 176.83 3n59 n ARG 112 N -2.93 0.22 0.00 6.09 1.74 -1.11 -3.54 116.66 117.13 3n59 n ARG 112 Ca 0.00 0.18 0.15 0.00 -0.77 0.00 0.00 57.85 57.41 3n59 n ARG 112 Cb 0.25 -1.75 0.70 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 -2.14 1.26 -4.41 5.56 1.74 -0.66 -4.70 116.66 113.30 3n59 n ARG 113 Ca 0.06 -0.49 -0.34 0.00 -0.77 0.00 0.00 57.85 56.31 3n59 n ARG 113 Cb 0.42 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.07 3.09 -0.05 -1.55 2.46 -1.23 -5.08 115.29 110.85 3n59 s HIS 114 Ca 0.40 0.03 0.01 0.00 0.47 0.00 0.00 55.06 55.97 3n59 s HIS 114 Cb 0.21 -1.83 0.02 0.00 -0.13 0.00 0.00 32.58 30.85 3n59 s HIS 114 CO 0.37 0.30 -0.04 0.45 -2.47 0.00 0.00 174.74 173.35 3n59 s SER 115 N -0.49 1.17 0.43 9.88 0.15 -1.26 -4.39 113.70 119.19 3n59 s SER 115 Ca 0.08 -0.14 0.24 0.00 0.70 0.00 0.00 55.95 56.83 3n59 s SER 115 Cb -0.12 -0.48 0.70 0.00 -1.71 0.00 0.00 66.02 64.41 3n59 s SER 115 CO 0.02 -0.08 1.73 1.88 1.20 0.00 0.00 173.24 177.99 3n59 h TYR 116 N 7.46 0.00 0.14 3.44 0.05 -1.59 -3.32 116.97 123.14 3n59 h TYR 116 Ca -0.34 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.14 3n59 h TYR 116 Cb 1.15 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.92 3n59 h TYR 116 CO 0.49 0.20 -1.28 -0.07 -1.05 0.00 0.00 178.16 176.45 3n59 h LEU 117 N 0.00 0.87 -0.58 3.88 3.38 -1.91 -3.39 115.31 117.56 3n59 h LEU 117 Ca -0.00 -0.81 0.08 0.00 0.09 0.00 0.00 57.88 57.24 3n59 h LEU 117 Cb 0.89 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 3n59 h LEU 117 CO 0.03 1.62 0.22 0.28 0.09 0.00 0.00 178.44 180.67 3n59 h SER 118 N 0.26 0.22 -0.02 -0.43 0.02 -1.93 -1.84 113.55 109.84 3n59 h SER 118 Ca -0.20 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3n59 h SER 118 Cb 1.95 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 64.54 3n59 h SER 118 CO 0.24 0.14 0.02 -0.65 -1.14 0.00 0.00 176.83 175.44 3n59 h PRO 119 N 0.40 0.00 -0.00 3.45 0.11 -1.78 -2.89 132.00 131.29 3n59 h PRO 119 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3n59 h PRO 119 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3n59 h PRO 119 CO -0.28 0.00 -0.59 0.44 -0.21 0.00 0.00 178.00 177.36 3n59 n ILE 120 N -4.13 0.00 -2.63 4.15 -5.35 -0.91 -4.97 119.36 105.51 3n59 n ILE 120 Ca -0.02 -0.20 -0.32 0.00 -0.27 0.00 0.00 62.75 61.93 3n59 n ILE 120 Cb 0.11 1.07 -0.05 0.00 -1.74 0.00 0.00 39.64 39.03 3n59 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n59 s ALA 121 N -2.26 3.09 0.16 -1.28 0.00 -0.74 -4.92 121.76 115.81 3n59 s ALA 121 Ca 0.08 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 3n59 s ALA 121 Cb 0.12 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 20.21 3n59 s ALA 121 CO 0.55 -0.05 1.67 1.15 0.00 0.00 0.00 175.76 179.08 3n59 h THR 122 N 1.36 1.24 -3.31 0.00 2.02 -0.95 -3.47 112.91 109.80 3n59 h THR 122 Ca -0.48 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 3n59 h THR 122 Cb 1.18 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 3n59 h THR 122 CO 0.62 0.32 0.05 -0.83 0.37 0.00 0.00 175.52 176.05 3n59 s GLY 123 N -3.26 0.07 -0.05 2.16 0.00 -1.10 -5.02 107.32 100.11 3n59 s GLY 123 Ca -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.18 3n59 s GLY 123 CO 0.81 -0.31 -0.05 0.14 0.00 0.00 0.00 173.10 173.69 3n59 s VAL 124 N -3.92 0.59 -0.14 1.40 1.01 -1.26 -1.11 120.40 116.97 3n59 s VAL 124 Ca 0.13 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3n59 s VAL 124 Cb -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3n59 s VAL 124 CO 0.03 0.25 -0.16 -0.63 0.00 0.00 0.00 175.10 174.58 3n59 s ILE 125 N 1.09 2.65 -0.01 2.22 1.01 0.37 -4.98 121.20 123.55 3n59 s ILE 125 Ca -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3n59 s ILE 125 Cb -0.14 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 3n59 s ILE 125 CO -0.01 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.73 3n59 s VAL 126 N 0.57 0.34 -0.04 2.92 1.01 -1.26 -0.59 120.40 123.35 3n59 s VAL 126 Ca -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3n59 s VAL 126 Cb -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3n59 s VAL 126 CO 0.04 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3n59 n GLY 127 N 3.09 0.38 1.79 4.51 0.00 -1.00 -4.82 105.19 109.13 3n59 n GLY 127 Ca -0.14 -0.05 0.08 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 -0.04 5.43 0.00 0.99 4.77 -1.24 -4.68 117.00 122.23 3n59 n LEU 128 Ca -0.00 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.18 3n59 n LEU 128 Cb 0.15 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3n59 n LEU 128 CO 0.01 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3n59 n GLY 129 N 0.75 0.73 0.28 -0.72 0.00 -0.80 -3.18 105.19 102.25 3n59 n GLY 129 Ca 0.27 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 0.58 0.00 -0.61 6.09 -1.94 -1.83 117.51 119.79 3n59 h ILE 130 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 3n59 h ILE 130 Cb 0.00 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.40 3n59 h ILE 130 CO 0.00 0.04 0.00 1.67 -3.07 0.00 0.00 178.15 176.79 3n59 n GLN 131 N -3.83 0.12 -0.35 2.19 7.27 -1.19 -2.92 117.38 118.66 3n59 n GLN 131 Ca -0.03 0.31 0.03 0.00 0.07 0.00 0.00 57.00 57.39 3n59 n GLN 131 Cb 0.13 -1.71 0.20 0.00 2.41 0.00 0.00 30.24 31.28 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 2.72 1.47 0.99 1.69 0.00 -1.32 -1.42 103.07 107.20 3n59 h GLY 132 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3n59 h GLY 132 CO 0.00 0.31 0.28 -0.97 0.00 0.00 0.00 176.54 176.16 3n59 h TYR 133 N 1.12 0.84 -0.53 5.60 -1.99 -1.75 -2.28 116.97 117.98 3n59 h TYR 133 Ca 0.43 -0.04 -0.12 0.00 2.00 0.00 0.00 58.73 61.00 3n59 h TYR 133 Cb 0.20 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.65 3n59 h TYR 133 CO -0.00 0.65 -0.13 -0.07 -0.00 0.00 0.00 178.16 178.61 3n59 h LEU 134 N 0.79 1.02 -0.77 3.88 3.38 -1.53 -1.38 115.31 120.70 3n59 h LEU 134 Ca 0.20 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 3n59 h LEU 134 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3n59 h LEU 134 CO -0.02 1.14 -0.54 -0.07 0.09 0.00 0.00 178.44 179.03 3n59 h LEU 135 N 0.90 0.22 -0.65 1.67 3.38 -1.28 -2.02 115.31 117.52 3n59 h LEU 135 Ca 0.14 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3n59 h LEU 135 Cb 0.69 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3n59 h LEU 135 CO 0.05 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.31 3n59 h ALA 136 N 1.28 0.86 -0.69 1.53 0.00 -1.14 -1.96 119.26 119.14 3n59 h ALA 136 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3n59 h ALA 136 Cb 1.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3n59 h ALA 136 CO 0.08 0.67 0.38 -0.07 0.00 0.00 0.00 179.25 180.31 3n59 h LEU 137 N 0.96 0.86 -1.03 0.00 3.38 -1.03 -2.79 115.31 115.66 3n59 h LEU 137 Ca 0.17 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3n59 h LEU 137 Cb 0.55 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3n59 h LEU 137 CO 0.03 0.70 -0.18 -0.09 0.09 0.00 0.00 178.44 178.99 3n59 h ARG 138 N 0.94 0.48 -0.53 1.13 2.43 -1.16 -1.84 114.38 115.83 3n59 h ARG 138 Ca 0.24 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3n59 h ARG 138 Cb 0.03 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3n59 h ARG 138 CO -0.04 0.64 0.28 -0.92 -1.51 0.00 0.00 179.97 178.42 3n59 h TYR 139 N 0.43 0.73 -0.10 2.20 3.20 -1.23 -3.11 116.97 119.10 3n59 h TYR 139 Ca 0.07 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 3n59 h TYR 139 Cb 0.57 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3n59 h TYR 139 CO 0.02 0.55 -0.45 -0.07 -1.64 0.00 0.00 178.16 176.56 3n59 h LEU 140 N 0.70 0.25 -1.56 2.82 3.38 -1.17 -2.68 115.31 117.05 3n59 h LEU 140 Ca 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3n59 h LEU 140 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3n59 h LEU 140 CO -0.03 0.68 -0.14 0.00 0.09 0.00 0.00 178.44 179.04 3n59 h ALA 141 N 1.33 1.64 -0.09 1.53 0.00 -1.30 -1.72 119.26 120.65 3n59 h ALA 141 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3n59 h ALA 141 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3n59 h ALA 141 CO 0.07 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.98 3n59 n GLU 142 N -4.32 1.70 0.00 0.00 4.71 -1.03 -5.12 120.64 116.58 3n59 n GLU 142 Ca -0.02 -1.03 0.00 0.00 -0.01 0.00 0.00 57.16 56.10 3n59 n GLU 142 Cb 0.24 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3n59 n GLU 142 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94