#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2os6 n SER 2 N 0.00 -7.54 -3.04 1.61 2.88 -1.26 -4.36 113.62 101.92 2os6 n SER 2 Ca 0.00 0.31 -0.11 0.00 -1.33 0.00 0.00 58.87 57.75 2os6 n SER 2 Cb 0.00 -4.81 0.01 0.00 -0.75 0.00 0.00 64.21 58.66 2os6 n SER 2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2os6 n HIS 3 N -0.58 -3.18 -3.87 0.66 8.25 -1.26 -5.05 115.22 110.19 2os6 n HIS 3 Ca 0.06 1.27 -0.09 0.00 -0.26 0.00 0.00 57.72 58.70 2os6 n HIS 3 Cb 0.50 -3.75 -0.04 0.00 1.12 0.00 0.00 29.99 27.82 2os6 n HIS 3 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2os6 s MET 4 N -2.83 1.47 -0.30 -0.41 -2.45 -1.26 -5.16 119.30 108.36 2os6 s MET 4 Ca 0.19 -1.04 -0.07 0.00 -1.25 0.00 0.00 55.69 53.51 2os6 s MET 4 Cb -0.04 0.50 0.18 0.00 1.25 0.00 0.00 34.83 36.72 2os6 s MET 4 CO 0.79 -0.62 0.88 0.20 1.05 0.00 0.00 175.02 177.32 2os6 s GLY 5 N -2.94 -0.73 0.04 2.11 0.00 -1.26 -5.08 107.32 99.46 2os6 s GLY 5 Ca 0.15 2.21 0.02 0.00 0.00 0.00 0.00 44.72 47.09 2os6 s GLY 5 CO 0.03 3.75 -0.08 1.08 0.00 0.00 0.00 173.10 177.88 2os6 s LEU 6 N 2.92 2.22 -0.15 0.66 1.02 -1.26 -5.01 118.68 119.07 2os6 s LEU 6 Ca 0.11 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.78 2os6 s LEU 6 Cb -0.10 -0.18 -0.00 0.00 0.02 0.00 0.00 46.19 45.93 2os6 s LEU 6 CO -0.18 -0.17 -0.16 0.54 0.02 0.00 0.00 176.35 176.41 2os6 s VAL 7 N -1.21 2.66 0.03 -1.59 0.11 -1.21 -5.00 120.40 114.20 2os6 s VAL 7 Ca -0.08 -0.78 -0.02 0.00 -2.93 0.00 0.00 61.98 58.17 2os6 s VAL 7 Cb -0.09 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.60 2os6 s VAL 7 CO 0.00 0.52 0.22 0.00 -3.33 0.00 0.00 175.10 172.51 2os6 s GLN 8 N 0.75 3.48 0.04 1.54 1.03 -1.26 -2.49 119.66 122.74 2os6 s GLN 8 Ca -0.06 -0.31 -0.14 0.00 0.04 0.00 0.00 55.36 54.89 2os6 s GLN 8 Cb -0.15 -3.05 0.02 0.00 0.03 0.00 0.00 33.01 29.86 2os6 s GLN 8 CO 0.01 0.63 0.30 0.50 -2.54 0.00 0.00 175.29 174.18 2os6 s ARG 9 N -2.19 0.79 -0.28 9.60 3.52 0.22 -4.96 118.95 125.65 2os6 s ARG 9 Ca 0.31 -0.47 -0.18 0.00 -0.13 0.00 0.00 55.73 55.26 2os6 s ARG 9 Cb -0.13 0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 2os6 s ARG 9 CO 0.22 -0.25 0.53 0.00 -0.81 0.00 0.00 175.30 175.00 2os6 s VAL 11 N 2.36 3.87 -0.41 0.00 1.01 0.11 -4.92 120.40 122.41 2os6 s VAL 11 Ca 0.21 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 2os6 s VAL 11 Cb -0.15 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2os6 s VAL 11 CO 0.10 0.52 0.50 -0.63 0.00 0.00 0.00 175.10 175.58 2os6 s ILE 12 N 0.08 5.01 -0.19 2.22 1.09 -1.26 0.60 121.20 128.75 2os6 s ILE 12 Ca -0.01 -0.14 -0.18 0.00 -1.10 0.00 0.00 60.65 59.22 2os6 s ILE 12 Cb -0.14 -4.07 -0.03 0.00 -1.06 0.00 0.00 42.46 37.17 2os6 s ILE 12 CO 0.03 -0.43 0.51 -0.63 -0.10 0.00 0.00 174.94 174.31 2os6 s ILE 13 N 2.34 5.12 -0.31 2.92 1.01 0.13 -4.57 121.20 127.84 2os6 s ILE 13 Ca 0.15 0.94 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 2os6 s ILE 13 Cb -0.16 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.52 2os6 s ILE 13 CO 0.15 0.19 0.03 -1.10 0.00 0.00 0.00 174.94 174.21 2os6 s GLN 14 N 1.54 2.50 0.25 2.79 -0.21 -1.26 0.01 119.66 125.29 2os6 s GLN 14 Ca 0.24 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.09 2os6 s GLN 14 Cb -0.15 -3.27 -0.10 0.00 1.00 0.00 0.00 33.01 30.49 2os6 s GLN 14 CO 0.10 -0.63 1.50 0.21 -2.12 0.00 0.00 175.29 174.34 2os6 s LYS 15 N 1.30 4.22 0.38 2.91 2.20 -0.52 -4.71 119.74 125.52 2os6 s LYS 15 Ca -0.04 2.39 0.03 0.00 -0.36 0.00 0.00 55.97 57.99 2os6 s LYS 15 Cb -0.20 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2os6 s LYS 15 CO 0.00 -0.50 0.26 -3.47 -0.36 0.00 0.00 175.35 171.28 2os6 n ASP 16 N 2.42 2.31 0.14 1.43 2.03 -1.08 -4.86 116.55 118.94 2os6 n ASP 16 Ca 0.08 -2.35 0.06 0.00 0.52 0.00 0.00 54.79 53.10 2os6 n ASP 16 Cb 0.39 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.33 2os6 n ASP 16 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2os6 h ASP 17 N 0.50 0.21 -0.52 1.67 2.03 -2.03 -0.41 116.42 117.88 2os6 h ASP 17 Ca -0.25 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 2os6 h ASP 17 Cb 0.89 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 2os6 h ASP 17 CO 0.39 0.16 0.00 -3.20 -1.03 0.00 0.00 179.24 175.57 2os6 n ASN 18 N -4.50 3.50 0.00 4.15 5.15 -1.26 -5.05 115.26 117.25 2os6 n ASN 18 Ca -0.00 -2.23 0.00 0.00 -0.60 0.00 0.00 54.58 51.74 2os6 n ASN 18 Cb 0.08 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 2os6 n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2os6 n GLY 19 N 1.08 -0.99 0.11 8.20 0.00 -0.17 -4.46 105.19 108.96 2os6 n GLY 19 Ca 0.19 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 2os6 n GLY 19 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2os6 h PHE 20 N 0.00 0.25 -3.53 1.61 -1.00 -1.92 -2.85 116.94 109.49 2os6 h PHE 20 Ca 0.00 -0.18 -0.13 0.00 2.81 0.00 0.00 57.97 60.47 2os6 h PHE 20 Cb 0.00 -0.01 0.07 0.00 3.61 0.00 0.00 35.95 39.62 2os6 h PHE 20 CO 0.00 1.41 -0.31 0.41 -1.61 0.00 0.00 178.31 178.20 2os6 n GLY 21 N 1.63 0.11 3.24 -1.45 0.00 -1.26 -3.05 105.19 104.41 2os6 n GLY 21 Ca -0.23 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 2os6 n GLY 21 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2os6 s LEU 22 N -3.78 0.85 -0.11 0.99 0.05 -1.26 -0.05 118.68 115.37 2os6 s LEU 22 Ca 0.02 0.12 -0.02 0.00 0.05 0.00 0.00 54.13 54.30 2os6 s LEU 22 Cb -0.00 1.26 -0.03 0.00 -2.05 0.00 0.00 46.19 45.36 2os6 s LEU 22 CO 0.29 -0.43 -0.02 -0.89 -0.55 0.00 0.00 176.35 174.76 2os6 s THR 23 N -1.23 4.08 0.05 5.48 2.01 0.13 -4.98 115.64 121.18 2os6 s THR 23 Ca -0.13 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.60 2os6 s THR 23 Cb -0.05 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 2os6 s THR 23 CO 0.04 0.56 -0.12 0.68 -0.69 0.00 0.00 174.62 175.09 2os6 s VAL 24 N -0.35 0.91 0.11 3.82 -7.23 -1.26 0.30 120.40 116.70 2os6 s VAL 24 Ca 0.06 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2os6 s VAL 24 Cb -0.12 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2os6 s VAL 24 CO 0.02 -0.17 -0.01 -0.44 -0.31 0.00 0.00 175.10 174.19 2os6 s SER 25 N -1.40 0.79 0.00 4.85 0.01 0.11 -4.93 113.70 113.13 2os6 s SER 25 Ca -0.03 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2os6 s SER 25 Cb -0.09 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2os6 s SER 25 CO 0.01 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2os6 n GLY 26 N -0.07 -1.85 0.00 3.44 0.00 -1.26 0.35 105.19 105.81 2os6 n GLY 26 Ca -0.09 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2os6 n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2os6 n ASP 27 N 0.38 0.00 0.06 1.61 2.03 -1.26 -4.78 116.55 114.59 2os6 n ASP 27 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2os6 n ASP 27 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2os6 n ASP 27 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2os6 h ASN 28 N 0.00 -1.33 -2.11 1.67 2.35 -1.91 -2.86 115.58 111.39 2os6 h ASN 28 Ca 0.00 0.15 -0.78 0.00 -0.55 0.00 0.00 56.30 55.11 2os6 h ASN 28 Cb 0.00 0.50 -0.22 0.00 0.05 0.00 0.00 38.32 38.65 2os6 h ASN 28 CO 0.00 -0.44 1.43 -0.81 -1.65 0.00 0.00 177.43 175.96 2os6 n PRO 29 N -4.90 4.33 -1.53 0.81 -0.04 -1.25 -4.56 135.00 127.86 2os6 n PRO 29 Ca -0.06 -4.10 -0.55 0.00 -0.04 0.00 0.00 63.50 58.75 2os6 n PRO 29 Cb 0.33 -2.66 -0.08 0.00 -0.04 0.00 0.00 33.50 31.05 2os6 n PRO 29 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2os6 n VAL 30 N 1.87 0.22 -3.61 0.52 0.31 -1.02 -4.27 118.33 112.35 2os6 n VAL 30 Ca 0.37 -0.14 -0.37 0.00 -0.01 0.00 0.00 64.34 64.20 2os6 n VAL 30 Cb 0.32 -1.33 -0.10 0.00 -0.91 0.00 0.00 33.84 31.83 2os6 n VAL 30 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2os6 s PHE 31 N 5.55 3.29 -0.33 3.52 2.19 0.16 0.12 117.98 132.48 2os6 s PHE 31 Ca 1.06 0.24 -0.25 0.00 0.33 0.00 0.00 56.93 58.31 2os6 s PHE 31 Cb -1.03 -2.33 0.01 0.00 -1.31 0.00 0.00 43.02 38.36 2os6 s PHE 31 CO 0.58 -0.01 0.87 0.08 1.83 0.00 0.00 175.22 178.58 2os6 s VAL 32 N 1.29 4.69 -0.03 3.12 1.01 0.12 0.08 120.40 130.68 2os6 s VAL 32 Ca 0.09 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 2os6 s VAL 32 Cb -0.14 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 2os6 s VAL 32 CO 0.07 -0.37 0.11 -0.61 0.00 0.00 0.00 175.10 174.29 2os6 h GLN 33 N 8.22 -0.04 -6.58 2.72 5.75 -0.47 0.14 115.11 124.85 2os6 h GLN 33 Ca -0.23 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.63 2os6 h GLN 33 Cb 1.08 0.01 -0.24 0.00 1.07 0.00 0.00 27.48 29.41 2os6 h GLN 33 CO 0.94 -0.03 -0.86 0.45 -2.65 0.00 0.00 178.83 176.68 2os6 s SER 34 N -3.73 2.98 0.04 -0.69 0.15 -1.23 -3.01 113.70 108.20 2os6 s SER 34 Ca -0.01 -0.67 0.01 0.00 0.70 0.00 0.00 55.95 55.99 2os6 s SER 34 Cb 0.00 -0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.07 2os6 s SER 34 CO 0.02 0.17 -0.06 0.68 1.20 0.00 0.00 173.24 175.25 2os6 s VAL 35 N -0.99 0.40 -0.71 4.45 -7.23 -1.26 0.23 120.40 115.29 2os6 s VAL 35 Ca 0.11 -1.17 -0.26 0.00 -1.81 0.00 0.00 61.98 58.85 2os6 s VAL 35 Cb -0.10 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.11 2os6 s VAL 35 CO 0.04 -0.52 2.05 -0.54 -0.31 0.00 0.00 175.10 175.82 2os6 s LYS 36 N -1.95 2.39 0.48 4.82 1.02 0.93 -4.81 119.74 122.62 2os6 s LYS 36 Ca -0.08 0.44 0.22 0.00 0.02 0.00 0.00 55.97 56.57 2os6 s LYS 36 Cb -0.07 -4.68 1.24 0.00 -0.52 0.00 0.00 37.83 33.80 2os6 s LYS 36 CO -0.01 -3.24 1.92 1.05 -0.92 0.00 0.00 175.35 174.15 2os6 h GLU 37 N 14.29 0.21 -0.65 1.68 9.09 -1.93 -0.07 114.58 137.20 2os6 h GLU 37 Ca -0.11 -0.01 -0.44 0.00 0.05 0.00 0.00 59.36 58.84 2os6 h GLU 37 Cb 1.11 -0.05 -0.28 0.00 -1.65 0.00 0.00 28.75 27.88 2os6 h GLU 37 CO 1.18 0.14 -0.21 -0.40 0.05 0.00 0.00 179.01 179.76 2os6 n ASP 38 N -4.41 4.62 -1.99 3.06 5.75 -1.26 -4.69 116.55 117.63 2os6 n ASP 38 Ca 0.15 -3.78 -0.08 0.00 -0.01 0.00 0.00 54.79 51.07 2os6 n ASP 38 Cb 0.68 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 2os6 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2os6 n GLY 39 N -0.90 3.25 0.37 6.12 0.00 -0.10 -5.02 105.19 108.91 2os6 n GLY 39 Ca 0.44 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.94 2os6 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2os6 h ALA 40 N 1.56 1.87 0.10 4.61 0.00 -1.80 0.30 119.26 125.89 2os6 h ALA 40 Ca -0.11 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2os6 h ALA 40 Cb 0.55 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2os6 h ALA 40 CO 0.16 -0.22 -0.40 0.00 0.00 0.00 0.00 179.25 178.79 2os6 h ALA 41 N 1.63 -0.68 -0.11 0.00 0.00 -1.72 0.39 119.26 118.77 2os6 h ALA 41 Ca 0.56 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 55.19 2os6 h ALA 41 Cb 1.03 0.67 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2os6 h ALA 41 CO -0.32 -0.95 -0.80 1.98 0.00 0.00 0.00 179.25 179.16 2os6 h MET 42 N -0.62 0.66 -0.57 0.00 -1.53 -0.80 -1.47 114.93 110.59 2os6 h MET 42 Ca 0.03 -0.56 0.05 0.00 -3.44 0.00 0.00 59.70 55.78 2os6 h MET 42 Cb 0.65 0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.79 2os6 h MET 42 CO -0.25 1.17 0.38 -0.09 0.14 0.00 0.00 176.91 178.26 2os6 h ARG 43 N 0.44 0.56 0.00 0.39 1.12 -0.14 -0.23 114.38 116.51 2os6 h ARG 43 Ca -0.06 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 2os6 h ARG 43 Cb 1.42 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.25 2os6 h ARG 43 CO 0.16 0.37 0.00 0.00 -3.11 0.00 0.00 179.97 177.38 2os6 h ALA 44 N 1.69 1.00 0.00 2.80 0.00 -0.19 -3.47 119.26 121.09 2os6 h ALA 44 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2os6 h ALA 44 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2os6 h ALA 44 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2os6 n GLY 45 N 0.72 1.26 3.62 0.00 0.00 -0.10 -4.09 105.19 106.60 2os6 n GLY 45 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2os6 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2os6 s VAL 46 N -2.00 5.17 0.39 1.61 1.01 -0.56 -5.01 120.40 121.01 2os6 s VAL 46 Ca 0.00 0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.69 2os6 s VAL 46 Cb 0.00 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 2os6 s VAL 46 CO 0.00 0.17 0.50 -1.10 0.00 0.00 0.00 175.10 174.67 2os6 s GLN 47 N 1.93 2.87 -0.45 2.72 -0.21 -1.26 -3.79 119.66 121.47 2os6 s GLN 47 Ca 0.17 -1.21 -0.29 0.00 0.02 0.00 0.00 55.36 54.05 2os6 s GLN 47 Cb -0.15 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 31.15 2os6 s GLN 47 CO 0.09 -0.15 1.41 0.95 -2.12 0.00 0.00 175.29 175.48 2os6 s THR 48 N -2.31 3.88 0.00 -0.19 -4.23 -1.26 -3.94 115.64 107.59 2os6 s THR 48 Ca 0.51 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 2os6 s THR 48 Cb -0.09 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.49 2os6 s THR 48 CO 0.31 -0.86 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 2os6 n GLY 49 N 5.13 0.83 3.39 3.99 0.00 0.44 -4.99 105.19 113.97 2os6 n GLY 49 Ca 0.16 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 2os6 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2os6 s ASP 50 N -1.71 3.07 -0.08 1.61 1.01 -0.99 -4.86 116.67 114.72 2os6 s ASP 50 Ca 0.00 -0.91 -0.01 0.00 0.71 0.00 0.00 52.55 52.34 2os6 s ASP 50 Cb 0.00 -0.21 -0.03 0.00 1.01 0.00 0.00 42.92 43.69 2os6 s ASP 50 CO 0.00 0.01 -0.01 -0.60 0.21 0.00 0.00 175.17 174.78 2os6 s ARG 51 N -2.98 2.93 -0.21 8.23 3.52 0.83 0.12 118.95 131.39 2os6 s ARG 51 Ca 0.21 -0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 55.29 2os6 s ARG 51 Cb -0.06 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 2os6 s ARG 51 CO 0.09 0.69 0.05 0.42 -0.81 0.00 0.00 175.30 175.74 2os6 s ILE 52 N -0.89 4.37 -0.20 4.11 1.01 0.31 0.13 121.20 130.03 2os6 s ILE 52 Ca 0.14 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.69 2os6 s ILE 52 Cb -0.11 -3.00 -0.17 0.00 0.01 0.00 0.00 42.46 39.19 2os6 s ILE 52 CO 0.03 0.40 -0.09 -0.38 0.00 0.00 0.00 174.94 174.90 2os6 n ILE 53 N 4.26 1.24 -3.82 2.92 2.08 0.15 -2.43 119.36 123.76 2os6 n ILE 53 Ca -0.16 -0.59 -0.09 0.00 0.56 0.00 0.00 62.75 62.46 2os6 n ILE 53 Cb 0.52 -0.98 -0.06 0.00 -0.75 0.00 0.00 39.64 38.37 2os6 n ILE 53 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2os6 s LYS 54 N -2.43 1.00 -0.13 0.38 1.02 0.60 -3.48 119.74 116.70 2os6 s LYS 54 Ca -0.21 -0.94 -0.02 0.00 0.02 0.00 0.00 55.97 54.83 2os6 s LYS 54 Cb 0.07 0.39 0.04 0.00 -0.52 0.00 0.00 37.83 37.81 2os6 s LYS 54 CO 0.59 -0.36 -0.00 0.14 -0.92 0.00 0.00 175.35 174.80 2os6 s VAL 55 N -3.87 0.57 -1.33 3.17 -7.23 -0.31 0.13 120.40 111.52 2os6 s VAL 55 Ca 0.07 -0.22 -0.01 0.00 -1.81 0.00 0.00 61.98 60.00 2os6 s VAL 55 Cb 0.03 -0.83 0.01 0.00 0.56 0.00 0.00 36.38 36.15 2os6 s VAL 55 CO -0.08 0.10 0.73 -3.20 -0.31 0.00 0.00 175.10 172.34 2os6 n ASN 56 N 5.07 -1.55 -1.87 4.85 5.15 0.32 -1.50 115.26 125.73 2os6 n ASN 56 Ca -0.09 -0.81 -0.17 0.00 -0.60 0.00 0.00 54.58 52.91 2os6 n ASN 56 Cb 0.49 -4.07 -0.01 0.00 -0.53 0.00 0.00 39.78 35.66 2os6 n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2os6 n GLY 57 N -1.58 -0.14 2.99 8.20 0.00 -1.24 -4.96 105.19 108.46 2os6 n GLY 57 Ca -0.27 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2os6 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2os6 s THR 58 N -2.82 1.25 0.05 2.61 2.01 -0.56 -5.11 115.64 113.07 2os6 s THR 58 Ca 0.00 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 2os6 s THR 58 Cb 0.00 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 2os6 s THR 58 CO 0.00 0.40 1.73 -0.76 -0.69 0.00 0.00 174.62 175.30 2os6 s LEU 59 N 1.19 4.37 -0.40 4.42 1.02 -1.26 -1.17 118.68 126.86 2os6 s LEU 59 Ca -0.04 2.51 0.00 0.00 0.02 0.00 0.00 54.13 56.63 2os6 s LEU 59 Cb -0.14 -3.55 0.38 0.00 0.02 0.00 0.00 46.19 42.90 2os6 s LEU 59 CO -0.03 -0.94 1.85 1.33 0.02 0.00 0.00 176.35 178.58 2os6 n VAL 60 N 5.02 2.87 -0.02 -1.59 0.24 -1.23 -4.19 118.33 119.43 2os6 n VAL 60 Ca 0.17 -1.81 -0.03 0.00 -2.04 0.00 0.00 64.34 60.63 2os6 n VAL 60 Cb 0.41 -0.98 -0.13 0.00 -1.47 0.00 0.00 33.84 31.67 2os6 n VAL 60 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2os6 n THR 61 N -0.39 1.19 -2.34 3.34 5.66 -1.26 -4.08 114.28 116.40 2os6 n THR 61 Ca 0.43 -0.74 -0.25 0.00 -3.05 0.00 0.00 64.05 60.44 2os6 n THR 61 Cb 0.93 -0.63 0.01 0.00 -1.55 0.00 0.00 70.33 69.08 2os6 n THR 61 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2os6 n HIS 62 N -2.81 3.08 -4.28 1.09 1.44 -1.26 -4.93 115.22 107.55 2os6 n HIS 62 Ca -0.17 -2.80 -0.22 0.00 -2.01 0.00 0.00 57.72 52.52 2os6 n HIS 62 Cb 0.94 -0.18 -0.13 0.00 0.12 0.00 0.00 29.99 30.75 2os6 n HIS 62 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2os6 s SER 63 N -3.55 2.19 0.72 4.39 0.01 -1.26 -5.15 113.70 111.04 2os6 s SER 63 Ca 0.48 -0.63 -0.00 0.00 1.31 0.00 0.00 55.95 57.10 2os6 s SER 63 Cb 0.40 -0.11 0.13 0.00 0.21 0.00 0.00 66.02 66.65 2os6 s SER 63 CO -0.10 0.02 0.99 0.20 0.41 0.00 0.00 173.24 174.75 2os6 s ASN 64 N -1.74 4.37 0.03 2.44 0.01 -1.26 -4.91 114.94 113.88 2os6 s ASN 64 Ca 0.03 -0.38 -0.13 0.00 -0.71 0.00 0.00 52.86 51.67 2os6 s ASN 64 Cb -0.10 0.00 -0.07 0.00 0.41 0.00 0.00 41.25 41.50 2os6 s ASN 64 CO 0.03 -1.85 1.20 -0.74 -1.51 0.00 0.00 177.10 174.24 2os6 h HIS 65 N -0.51 -0.48 -0.33 2.20 6.17 -2.00 -2.20 115.15 118.00 2os6 h HIS 65 Ca -0.36 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 60.79 2os6 h HIS 65 Cb 1.27 0.17 -0.02 0.00 2.52 0.00 0.00 27.41 31.36 2os6 h HIS 65 CO -0.18 -0.27 0.23 1.25 0.71 0.00 0.00 177.93 179.68 2os6 h LEU 66 N -0.44 0.09 -0.04 0.26 7.12 -1.99 -2.40 115.31 117.92 2os6 h LEU 66 Ca -0.04 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.98 2os6 h LEU 66 Cb 0.35 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 2os6 h LEU 66 CO 0.04 0.06 -0.03 -0.33 -0.13 0.00 0.00 178.44 178.04 2os6 h GLU 67 N 0.11 -0.04 0.28 1.25 4.39 -1.89 0.14 114.58 118.82 2os6 h GLU 67 Ca 0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2os6 h GLU 67 Cb 0.47 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2os6 h GLU 67 CO -0.02 -0.03 -0.13 0.28 -1.16 0.00 0.00 179.01 177.95 2os6 h VAL 68 N -0.04 0.74 -0.97 3.13 2.07 -0.88 -1.35 116.25 118.95 2os6 h VAL 68 Ca 0.03 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2os6 h VAL 68 Cb 0.08 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2os6 h VAL 68 CO -0.06 0.03 0.64 1.62 0.02 0.00 0.00 177.57 179.81 2os6 h VAL 69 N -0.45 1.19 -0.77 2.57 3.04 -1.46 -0.86 116.25 119.50 2os6 h VAL 69 Ca -0.04 -0.43 -0.03 0.00 -1.01 0.00 0.00 66.70 65.19 2os6 h VAL 69 Cb 0.34 -0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 29.42 2os6 h VAL 69 CO 0.06 0.23 0.35 0.50 -1.01 0.00 0.00 177.57 177.70 2os6 h LYS 70 N 1.25 1.12 -0.12 4.17 3.64 -0.57 0.29 116.57 126.35 2os6 h LYS 70 Ca 0.38 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2os6 h LYS 70 Cb -0.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2os6 h LYS 70 CO -0.11 0.88 -0.03 1.25 -2.27 0.00 0.00 179.45 179.17 2os6 h LEU 71 N 1.09 0.23 -0.53 5.20 6.46 -0.63 -0.12 115.31 127.01 2os6 h LEU 71 Ca 0.26 -0.36 -0.09 0.00 -0.12 0.00 0.00 57.88 57.56 2os6 h LEU 71 Cb 0.14 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 2os6 h LEU 71 CO -0.03 0.54 -0.03 0.40 -0.62 0.00 0.00 178.44 178.70 2os6 h ILE 72 N -0.08 1.27 0.00 4.05 1.08 -1.06 -2.79 117.51 119.98 2os6 h ILE 72 Ca 0.03 -1.15 -0.08 0.00 -0.39 0.00 0.00 64.86 63.27 2os6 h ILE 72 Cb 0.44 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 2os6 h ILE 72 CO 0.01 0.41 -0.36 0.11 -0.69 0.00 0.00 178.15 177.63 2os6 h LYS 73 N 0.82 0.00 -3.98 2.37 1.57 -0.40 -3.34 116.57 113.61 2os6 h LYS 73 Ca 0.14 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.26 2os6 h LYS 73 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2os6 h LYS 73 CO 0.03 0.36 2.93 0.45 -0.57 0.00 0.00 179.45 182.66 2os6 n SER 74 N -4.06 4.14 0.00 0.86 2.88 -0.06 -4.72 113.62 112.66 2os6 n SER 74 Ca -0.02 -2.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 2os6 n SER 74 Cb 0.40 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 2os6 n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2os6 n GLY 75 N 4.14 4.37 0.26 0.46 0.00 -1.26 -4.96 105.19 108.21 2os6 n GLY 75 Ca 0.54 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 2os6 n GLY 75 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2os6 h SER 76 N 0.00 -0.53 -3.90 1.61 0.02 -1.86 -3.46 113.55 105.42 2os6 h SER 76 Ca 0.00 0.02 -0.69 0.00 -0.84 0.00 0.00 61.79 60.28 2os6 h SER 76 Cb 0.00 0.14 -0.22 0.00 0.14 0.00 0.00 62.40 62.46 2os6 h SER 76 CO 0.00 -0.22 -0.86 -0.72 -1.14 0.00 0.00 176.83 173.90 2os6 s TYR 77 N -3.72 2.36 -0.04 3.45 1.13 -1.26 -1.44 117.35 117.83 2os6 s TYR 77 Ca -0.09 -0.36 -0.15 0.00 -1.41 0.00 0.00 57.07 55.06 2os6 s TYR 77 Cb 0.01 -1.28 0.03 0.00 -1.10 0.00 0.00 41.96 39.62 2os6 s TYR 77 CO 0.28 0.34 0.34 0.14 -2.51 0.00 0.00 175.55 174.13 2os6 s VAL 78 N -1.06 0.04 -0.41 -3.49 -7.23 0.10 -4.97 120.40 103.38 2os6 s VAL 78 Ca 0.15 -0.35 -0.19 0.00 -1.81 0.00 0.00 61.98 59.78 2os6 s VAL 78 Cb -0.10 -0.61 0.02 0.00 0.56 0.00 0.00 36.38 36.24 2os6 s VAL 78 CO 0.07 -0.19 0.52 0.00 -0.31 0.00 0.00 175.10 175.18 2os6 s ALA 79 N -1.01 3.41 -0.17 1.32 0.00 -1.26 0.19 121.76 124.25 2os6 s ALA 79 Ca -0.11 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 2os6 s ALA 79 Cb -0.04 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 2os6 s ALA 79 CO 0.04 -1.57 0.00 -0.51 0.00 0.00 0.00 175.76 173.72 2os6 s LEU 80 N 2.42 3.49 -0.43 0.00 1.02 0.20 0.12 118.68 125.49 2os6 s LEU 80 Ca 0.17 -0.04 -0.27 0.00 0.02 0.00 0.00 54.13 54.02 2os6 s LEU 80 Cb -0.16 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.22 2os6 s LEU 80 CO 0.15 0.17 0.99 -0.89 0.02 0.00 0.00 176.35 176.79 2os6 s THR 81 N 0.34 4.44 0.48 5.49 2.01 0.12 0.04 115.64 128.56 2os6 s THR 81 Ca -0.01 1.03 0.04 0.00 0.31 0.00 0.00 61.69 63.06 2os6 s THR 81 Cb -0.13 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 2os6 s THR 81 CO 0.02 -0.78 0.12 0.68 -0.69 0.00 0.00 174.62 173.97 2os6 s VAL 82 N 3.85 1.63 -0.02 3.82 -7.23 0.12 0.32 120.40 122.89 2os6 s VAL 82 Ca 0.40 -1.83 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 2os6 s VAL 82 Cb -0.10 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.40 2os6 s VAL 82 CO 0.25 0.00 0.29 -1.58 -0.31 0.00 0.00 175.10 173.76 2os6 s GLN 83 N -3.94 0.64 0.00 4.82 0.74 0.34 0.72 119.66 122.98 2os6 s GLN 83 Ca 0.23 -0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.46 2os6 s GLN 83 Cb 0.03 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.42 2os6 s GLN 83 CO 0.13 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.11 2os6 n GLY 84 N 1.36 2.12 2.53 2.59 0.00 -1.04 -0.12 105.19 112.63 2os6 n GLY 84 Ca -0.21 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 2os6 n GLY 84 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2os6 n ARG 85 N 0.00 1.37 -2.08 1.61 0.00 -1.26 -3.30 116.66 113.00 2os6 n ARG 85 Ca 0.00 -3.97 -0.43 0.00 -0.00 0.00 0.00 57.85 53.45 2os6 n ARG 85 Cb 0.00 -1.93 -0.03 0.00 -0.00 0.00 0.00 32.46 30.51 2os6 n ARG 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2os6 s PRO 86 N -1.26 3.46 0.83 2.89 0.04 -1.26 -5.00 135.00 134.69 2os6 s PRO 86 Ca 0.32 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 2os6 s PRO 86 Cb 0.06 -4.14 0.09 0.00 0.04 0.00 0.00 34.50 30.55 2os6 s PRO 86 CO -0.13 -1.71 1.09 -1.25 0.04 0.00 0.00 177.00 175.04 2os6 s PRO 87 N 5.36 1.81 -0.33 0.56 0.04 -1.26 -5.06 135.00 136.13 2os6 s PRO 87 Ca 0.75 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 2os6 s PRO 87 Cb -0.21 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.59 2os6 s PRO 87 CO 0.33 -1.90 0.17 0.20 0.04 0.00 0.00 177.00 175.84 2os6 s GLY 88 N -3.45 0.79 0.00 0.56 0.00 -1.26 -5.32 107.32 98.64 2os6 s GLY 88 Ca 0.62 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2os6 s GLY 88 CO 0.56 1.99 0.00 -1.26 0.00 0.00 0.00 173.10 174.39