#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g35 n LYS 2 N 0.00 0.47 -2.83 3.23 4.01 -1.26 -3.18 118.16 118.60 2g35 n LYS 2 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 2g35 n LYS 2 Cb 0.00 -1.07 0.06 0.00 -0.51 0.00 0.00 35.03 33.51 2g35 n LYS 2 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2g35 n THR 3 N -0.28 0.03 -3.07 -0.18 5.66 -1.26 -4.82 114.28 110.36 2g35 n THR 3 Ca 0.00 -2.34 -0.40 0.00 -3.05 0.00 0.00 64.05 58.26 2g35 n THR 3 Cb 0.03 0.94 -0.05 0.00 -1.55 0.00 0.00 70.33 69.71 2g35 n THR 3 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2g35 s TYR 4 N -0.63 3.53 -0.40 1.09 6.14 -1.19 -3.98 117.35 121.92 2g35 s TYR 4 Ca 0.27 1.17 -0.02 0.00 0.64 0.00 0.00 57.07 59.13 2g35 s TYR 4 Cb 0.33 -2.79 0.00 0.00 0.42 0.00 0.00 41.96 39.92 2g35 s TYR 4 CO -0.06 0.04 0.34 0.41 0.64 0.00 0.00 175.55 176.93 2g35 n GLY 5 N 3.24 0.36 3.07 8.97 0.00 -1.26 -5.05 105.19 114.51 2g35 n GLY 5 Ca -0.01 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 2g35 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g35 s VAL 6 N -3.11 1.20 -0.56 1.61 1.01 -1.26 -4.96 120.40 114.34 2g35 s VAL 6 Ca 0.10 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 2g35 s VAL 6 Cb -0.04 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.30 2g35 s VAL 6 CO 0.23 0.36 1.09 -0.44 0.00 0.00 0.00 175.10 176.34 2g35 s SER 7 N 0.33 6.42 0.33 3.32 0.01 -1.24 -4.83 113.70 118.05 2g35 s SER 7 Ca -0.09 -0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 2g35 s SER 7 Cb -0.13 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2g35 s SER 7 CO 0.03 -1.36 0.62 0.72 0.41 0.00 0.00 173.24 173.65 2g35 s PHE 8 N 4.54 3.48 -0.02 2.43 -0.71 -1.26 -1.56 117.98 124.88 2g35 s PHE 8 Ca 0.39 0.74 -0.00 0.00 -1.04 0.00 0.00 56.93 57.01 2g35 s PHE 8 Cb -0.09 -2.19 0.02 0.00 -1.21 0.00 0.00 43.02 39.55 2g35 s PHE 8 CO 0.24 0.07 0.04 -0.06 -1.34 0.00 0.00 175.22 174.17 2g35 s PHE 9 N -2.20 -0.00 -0.46 3.49 0.40 -0.87 -4.81 117.98 113.53 2g35 s PHE 9 Ca 0.46 0.13 -0.29 0.00 -0.60 0.00 0.00 56.93 56.63 2g35 s PHE 9 Cb -0.10 -0.14 0.02 0.00 0.51 0.00 0.00 43.02 43.30 2g35 s PHE 9 CO 0.31 -0.07 1.34 -1.17 0.70 0.00 0.00 175.22 176.33 2g35 s LEU 10 N 0.72 3.57 0.14 -0.37 2.96 -1.26 -1.22 118.68 123.21 2g35 s LEU 10 Ca -0.06 0.64 0.09 0.00 -0.22 0.00 0.00 54.13 54.58 2g35 s LEU 10 Cb -0.08 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2g35 s LEU 10 CO -0.02 -1.43 -0.20 0.68 -1.32 0.00 0.00 176.35 174.05 2g35 s VAL 11 N 5.27 1.85 -0.02 1.68 -7.23 0.63 -4.73 120.40 117.86 2g35 s VAL 11 Ca 0.56 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2g35 s VAL 11 Cb -0.11 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2g35 s VAL 11 CO 0.31 -0.17 0.02 -0.54 -0.31 0.00 0.00 175.10 174.41 2g35 s LYS 12 N -2.38 2.89 0.29 4.82 1.02 -0.96 0.93 119.74 126.34 2g35 s LYS 12 Ca 0.12 -0.54 0.10 0.00 0.02 0.00 0.00 55.97 55.66 2g35 s LYS 12 Cb -0.08 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 2g35 s LYS 12 CO 0.06 0.64 -0.00 -1.21 -0.92 0.00 0.00 175.35 173.92 2g35 s GLU 13 N -1.48 2.22 -0.44 1.68 0.41 0.42 -2.16 118.70 119.34 2g35 s GLU 13 Ca 0.19 -1.51 -0.04 0.00 -0.41 0.00 0.00 54.97 53.19 2g35 s GLU 13 Cb -0.12 -2.09 0.12 0.00 -1.78 0.00 0.00 34.13 30.26 2g35 s GLU 13 CO 0.10 0.30 0.26 0.15 -0.49 0.00 0.00 175.26 175.57 2g35 s LYS 14 N -3.69 2.17 0.64 1.61 3.01 -1.26 0.13 119.74 122.35 2g35 s LYS 14 Ca 0.33 -1.87 -0.15 0.00 -1.01 0.00 0.00 55.97 53.26 2g35 s LYS 14 Cb -0.05 -3.68 -0.01 0.00 -1.01 0.00 0.00 37.83 33.08 2g35 s LYS 14 CO 0.20 -1.11 1.10 1.41 0.51 0.00 0.00 175.35 177.45 2g35 s MET 15 N 1.09 2.94 0.00 1.68 1.75 -1.26 -4.71 119.30 120.78 2g35 s MET 15 Ca 0.08 1.35 0.00 0.00 -1.25 0.00 0.00 55.69 55.87 2g35 s MET 15 Cb -0.23 -1.97 0.00 0.00 2.84 0.00 0.00 34.83 35.47 2g35 s MET 15 CO -0.03 -1.13 0.00 1.63 -0.65 0.00 0.00 175.02 174.83 2g35 n LYS 16 N -2.30 0.00 -0.19 4.11 4.01 -1.26 -2.87 118.16 119.67 2g35 n LYS 16 Ca 0.10 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 2g35 n LYS 16 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2g35 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2g35 n GLY 17 N 0.00 0.62 3.67 0.72 0.00 -1.26 -5.12 105.19 103.82 2g35 n GLY 17 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2g35 n GLY 17 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2g35 n LYS 18 N 0.00 2.08 0.02 1.61 -0.00 -1.14 -4.72 118.16 116.01 2g35 n LYS 18 Ca 0.00 0.74 0.01 0.00 -0.00 0.00 0.00 58.31 59.06 2g35 n LYS 18 Cb 0.31 -2.42 0.05 0.00 -0.00 0.00 0.00 35.03 32.96 2g35 n LYS 18 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2g35 n ASN 19 N 2.33 0.04 -2.76 -5.58 0.23 -1.26 -4.50 115.26 103.76 2g35 n ASN 19 Ca 0.12 0.42 -0.10 0.00 -0.53 0.00 0.00 54.58 54.50 2g35 n ASN 19 Cb 0.31 -0.43 0.06 0.00 -2.08 0.00 0.00 39.78 37.65 2g35 n ASN 19 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2g35 n LYS 20 N -1.47 -0.21 -4.18 -3.83 4.01 -1.26 -5.12 118.16 106.10 2g35 n LYS 20 Ca -0.00 -0.82 -0.12 0.00 -0.51 0.00 0.00 58.31 56.86 2g35 n LYS 20 Cb 0.11 -0.42 -0.10 0.00 -0.51 0.00 0.00 35.03 34.11 2g35 n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2g35 s LEU 21 N 0.00 2.49 -0.27 -0.35 1.02 -1.26 -4.76 118.68 115.56 2g35 s LEU 21 Ca 0.26 -0.97 -0.01 0.00 0.02 0.00 0.00 54.13 53.43 2g35 s LEU 21 Cb -0.01 -0.16 0.04 0.00 0.02 0.00 0.00 46.19 46.08 2g35 s LEU 21 CO 0.18 -0.40 -0.05 -0.69 0.02 0.00 0.00 176.35 175.41 2g35 s VAL 22 N -3.35 2.83 0.60 -1.59 1.01 0.34 -4.86 120.40 115.38 2g35 s VAL 22 Ca 0.11 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 2g35 s VAL 22 Cb 0.03 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2g35 s VAL 22 CO -0.03 0.08 1.19 -2.65 0.00 0.00 0.00 175.10 173.69 2g35 n PRO 23 N 4.63 1.19 -3.64 2.72 -0.02 -1.26 0.16 135.00 138.77 2g35 n PRO 23 Ca -0.15 0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 61.63 2g35 n PRO 23 Cb 0.45 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 2g35 n PRO 23 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2g35 s ARG 24 N -3.00 0.85 -0.18 -0.52 6.06 0.26 -4.09 118.95 118.34 2g35 s ARG 24 Ca 0.77 0.11 -0.05 0.00 -2.50 0.00 0.00 55.73 54.06 2g35 s ARG 24 Cb -0.41 0.39 -0.03 0.00 0.06 0.00 0.00 34.95 34.96 2g35 s ARG 24 CO 0.45 -0.24 0.01 -0.51 -2.50 0.00 0.00 175.30 172.51 2g35 s LEU 25 N -1.11 3.45 -0.37 -0.88 1.43 0.50 -0.26 118.68 121.45 2g35 s LEU 25 Ca -0.11 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 2g35 s LEU 25 Cb -0.03 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.38 2g35 s LEU 25 CO 0.07 0.15 0.17 -0.22 0.23 0.00 0.00 176.35 176.74 2g35 s LEU 26 N 0.52 4.65 0.25 1.79 2.96 -0.36 0.13 118.68 128.62 2g35 s LEU 26 Ca -0.00 -1.19 -0.27 0.00 -0.22 0.00 0.00 54.13 52.44 2g35 s LEU 26 Cb -0.14 -1.94 -0.09 0.00 0.50 0.00 0.00 46.19 44.52 2g35 s LEU 26 CO 0.02 -0.40 0.90 -0.83 -1.32 0.00 0.00 176.35 174.72 2g35 s GLY 27 N 1.61 2.94 -0.20 7.98 0.00 0.91 -2.06 107.32 118.50 2g35 s GLY 27 Ca 0.01 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 2g35 s GLY 27 CO 0.04 1.01 -0.03 -0.42 0.00 0.00 0.00 173.10 173.70 2g35 s ILE 28 N -1.35 1.13 0.40 0.90 1.09 -0.60 -0.13 121.20 122.64 2g35 s ILE 28 Ca 0.43 -0.87 0.08 0.00 -1.10 0.00 0.00 60.65 59.19 2g35 s ILE 28 Cb -0.22 -1.44 0.00 0.00 -1.06 0.00 0.00 42.46 39.74 2g35 s ILE 28 CO 0.27 -0.07 0.53 0.42 -0.10 0.00 0.00 174.94 175.99 2g35 s THR 29 N 1.59 3.18 -0.88 2.92 -4.23 0.24 -3.64 115.64 114.82 2g35 s THR 29 Ca -0.03 -1.04 0.19 0.00 -1.18 0.00 0.00 61.69 59.63 2g35 s THR 29 Cb -0.17 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.76 2g35 s THR 29 CO -0.07 -0.03 1.61 2.29 -0.54 0.00 0.00 174.62 177.87 2g35 n LYS 30 N -1.77 0.05 0.00 3.99 2.85 -1.26 -3.16 118.16 118.87 2g35 n LYS 30 Ca 0.06 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 2g35 n LYS 30 Cb 0.59 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 2g35 n LYS 30 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2g35 n GLU 31 N -1.69 0.77 -3.75 -1.58 1.02 -1.26 -4.75 120.64 109.40 2g35 n GLU 31 Ca 0.04 -0.72 -0.00 0.00 -0.02 0.00 0.00 57.16 56.46 2g35 n GLU 31 Cb 0.22 -0.73 -0.00 0.00 -0.02 0.00 0.00 31.44 30.91 2g35 n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g35 s VAL 33 N -2.54 1.50 0.04 0.00 1.01 0.16 0.80 120.40 121.38 2g35 s VAL 33 Ca 0.17 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2g35 s VAL 33 Cb 0.01 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2g35 s VAL 33 CO -0.00 0.29 -0.10 -0.04 0.00 0.00 0.00 175.10 175.25 2g35 s MET 34 N -0.79 0.66 -0.24 2.72 1.00 0.82 0.11 119.30 123.58 2g35 s MET 34 Ca 0.07 -0.73 -0.16 0.00 0.00 0.00 0.00 55.69 54.86 2g35 s MET 34 Cb -0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 34.83 34.16 2g35 s MET 34 CO 0.00 0.12 0.43 1.03 0.00 0.00 0.00 175.02 176.60 2g35 s ARG 35 N -1.36 4.09 -0.15 2.03 0.52 -0.14 -0.06 118.95 123.89 2g35 s ARG 35 Ca -0.04 0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 2g35 s ARG 35 Cb -0.09 -3.61 0.01 0.00 0.52 0.00 0.00 34.95 31.78 2g35 s ARG 35 CO 0.01 -0.22 -0.20 0.08 0.02 0.00 0.00 175.30 175.00 2g35 s VAL 36 N 1.87 2.24 0.55 3.52 1.01 0.35 0.25 120.40 130.20 2g35 s VAL 36 Ca 0.18 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2g35 s VAL 36 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2g35 s VAL 36 CO 0.09 0.54 1.25 -0.62 0.00 0.00 0.00 175.10 176.36 2g35 s ASP 37 N 0.87 5.37 0.17 3.32 -1.08 0.08 0.19 116.67 125.58 2g35 s ASP 37 Ca -0.05 2.51 0.21 0.00 -0.52 0.00 0.00 52.55 54.70 2g35 s ASP 37 Cb -0.15 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.66 2g35 s ASP 37 CO -0.03 -1.48 0.99 -0.08 0.52 0.00 0.00 175.17 175.09 2g35 h GLU 38 N 1.28 0.00 0.06 4.34 4.22 -1.86 0.44 114.58 123.06 2g35 h GLU 38 Ca -0.50 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.93 2g35 h GLU 38 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2g35 h GLU 38 CO 0.57 0.08 -0.03 -0.22 -2.18 0.00 0.00 179.01 177.23 2g35 h LYS 39 N 0.00 -0.08 -0.02 1.92 3.64 -1.90 -3.35 116.57 116.78 2g35 h LYS 39 Ca -0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2g35 h LYS 39 Cb 1.17 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2g35 h LYS 39 CO 0.01 0.50 -0.26 0.25 -2.27 0.00 0.00 179.45 177.69 2g35 n THR 40 N -4.80 0.00 -1.48 1.00 -2.24 -1.26 -4.93 114.28 100.57 2g35 n THR 40 Ca -0.08 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 2g35 n THR 40 Cb 0.31 1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 2g35 n THR 40 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2g35 n LYS 41 N 0.45 -1.36 -3.45 -0.78 4.81 0.14 -4.91 118.16 113.06 2g35 n LYS 41 Ca 0.10 0.78 -0.20 0.00 -0.87 0.00 0.00 58.31 58.12 2g35 n LYS 41 Cb 0.47 -5.06 -0.00 0.00 0.02 0.00 0.00 35.03 30.45 2g35 n LYS 41 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2g35 s GLU 42 N -3.29 3.19 0.00 1.64 2.12 -1.24 -4.78 118.70 116.33 2g35 s GLU 42 Ca 0.00 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.24 2g35 s GLU 42 Cb 0.00 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2g35 s GLU 42 CO 0.00 0.06 0.89 0.08 -0.54 0.00 0.00 175.26 175.75 2g35 s VAL 43 N -2.23 4.86 -0.09 3.70 1.01 -1.26 -0.74 120.40 125.64 2g35 s VAL 43 Ca 0.43 1.86 0.09 0.00 0.00 0.00 0.00 61.98 64.37 2g35 s VAL 43 Cb -0.10 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 31.93 2g35 s VAL 43 CO 0.32 0.22 0.05 -0.38 0.00 0.00 0.00 175.10 175.31 2g35 n ILE 44 N 3.63 0.63 -3.95 2.22 2.08 0.68 -4.90 119.36 119.76 2g35 n ILE 44 Ca 0.03 -0.41 -0.10 0.00 0.56 0.00 0.00 62.75 62.84 2g35 n ILE 44 Cb 0.51 -0.68 -0.07 0.00 -0.75 0.00 0.00 39.64 38.66 2g35 n ILE 44 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2g35 s GLN 45 N -2.27 1.22 -0.07 0.38 2.00 -0.97 -4.88 119.66 115.07 2g35 s GLN 45 Ca -0.05 -1.17 -0.06 0.00 -2.00 0.00 0.00 55.36 52.09 2g35 s GLN 45 Cb 0.03 0.40 0.02 0.00 0.80 0.00 0.00 33.01 34.26 2g35 s GLN 45 CO 0.41 -0.46 0.18 -1.21 -0.50 0.00 0.00 175.29 173.71 2g35 s GLU 46 N -3.97 0.20 0.04 1.67 2.02 -1.26 -0.97 118.70 116.43 2g35 s GLU 46 Ca 0.18 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.46 2g35 s GLU 46 Cb 0.03 0.04 -0.03 0.00 0.10 0.00 0.00 34.13 34.27 2g35 s GLU 46 CO 0.01 -0.06 -0.04 -1.58 0.02 0.00 0.00 175.26 173.61 2g35 s TRP 47 N 0.36 0.42 0.22 1.61 0.51 0.30 -4.94 118.94 117.41 2g35 s TRP 47 Ca -0.02 -0.69 -0.16 0.00 -2.12 0.00 0.00 56.10 53.11 2g35 s TRP 47 Cb -0.04 -0.29 -0.08 0.00 -0.81 0.00 0.00 33.47 32.26 2g35 s TRP 47 CO -0.02 -0.23 0.65 -1.54 -0.51 0.00 0.00 176.95 175.31 2g35 s SER 48 N -1.96 6.88 0.37 2.95 1.04 -1.26 0.37 113.70 122.08 2g35 s SER 48 Ca -0.08 1.22 0.17 0.00 0.48 0.00 0.00 55.95 57.75 2g35 s SER 48 Cb -0.04 -2.35 0.69 0.00 0.10 0.00 0.00 66.02 64.42 2g35 s SER 48 CO -0.03 0.00 1.76 -0.07 0.98 0.00 0.00 173.24 175.87 2g35 h LEU 49 N 3.16 0.00 0.00 2.42 3.38 -1.82 -2.29 115.31 120.17 2g35 h LEU 49 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2g35 h LEU 49 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2g35 h LEU 49 CO 0.66 0.40 0.00 0.35 0.09 0.00 0.00 178.44 179.94 2g35 n THR 50 N -3.71 0.48 0.11 0.22 -2.24 -1.26 -2.67 114.28 105.21 2g35 n THR 50 Ca -0.01 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.99 2g35 n THR 50 Cb 0.49 -0.75 0.01 0.00 -2.10 0.00 0.00 70.33 67.98 2g35 n THR 50 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2g35 h ASN 51 N 0.00 0.00 -2.66 3.42 4.21 -1.79 -3.45 115.58 115.30 2g35 h ASN 51 Ca 0.00 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.96 2g35 h ASN 51 Cb 0.36 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 2g35 h ASN 51 CO 0.00 0.07 1.04 -0.63 -1.29 0.00 0.00 177.43 176.63 2g35 s ILE 52 N -3.29 3.59 -0.18 2.81 1.01 -1.09 -4.32 121.20 119.72 2g35 s ILE 52 Ca 0.00 0.78 -0.24 0.00 0.00 0.00 0.00 60.65 61.19 2g35 s ILE 52 Cb 0.09 -3.50 -0.22 0.00 0.01 0.00 0.00 42.46 38.84 2g35 s ILE 52 CO 0.78 -0.06 0.41 0.50 0.00 0.00 0.00 174.94 176.58 2g35 h LYS 53 N 9.18 0.01 -3.34 2.79 3.64 0.12 -3.48 116.57 125.48 2g35 h LYS 53 Ca -0.39 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 58.89 2g35 h LYS 53 Cb 1.17 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2g35 h LYS 53 CO 0.95 1.01 0.12 -0.98 -2.27 0.00 0.00 179.45 178.28 2g35 s ARG 54 N -2.32 2.08 0.27 1.90 1.70 -1.24 -4.98 118.95 116.37 2g35 s ARG 54 Ca -0.25 -1.49 -0.18 0.00 -0.47 0.00 0.00 55.73 53.34 2g35 s ARG 54 Cb 0.03 0.57 0.01 0.00 -0.57 0.00 0.00 34.95 34.99 2g35 s ARG 54 CO 0.63 -0.94 0.64 1.67 -1.08 0.00 0.00 175.30 176.22 2g35 s TRP 55 N -2.71 0.01 -0.19 5.89 -2.14 -1.26 -0.78 118.94 117.76 2g35 s TRP 55 Ca 0.20 -0.44 -0.04 0.00 2.66 0.00 0.00 56.10 58.47 2g35 s TRP 55 Cb -0.04 0.54 0.10 0.00 -3.10 0.00 0.00 33.47 30.97 2g35 s TRP 55 CO 0.13 -1.17 0.30 0.00 -2.66 0.00 0.00 176.95 173.55 2g35 s ALA 56 N -3.88 -0.69 -0.27 2.67 0.00 0.21 -4.97 121.76 114.83 2g35 s ALA 56 Ca 0.15 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 2g35 s ALA 56 Cb -0.04 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2g35 s ALA 56 CO 0.08 -0.99 0.19 0.00 0.00 0.00 0.00 175.76 175.04 2g35 s ALA 57 N 2.45 3.55 0.22 0.00 0.00 -1.26 -1.72 121.76 125.00 2g35 s ALA 57 Ca 0.06 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.07 2g35 s ALA 57 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2g35 s ALA 57 CO -0.12 -0.47 0.00 -1.12 0.00 0.00 0.00 175.76 174.05 2g35 s SER 58 N 1.59 4.68 0.00 0.00 0.01 0.09 -4.88 113.70 115.19 2g35 s SER 58 Ca 0.07 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2g35 s SER 58 Cb -0.15 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.13 2g35 s SER 58 CO 0.09 0.05 0.00 -0.81 0.41 0.00 0.00 173.24 172.98 2g35 n PRO 59 N -0.48 0.00 0.00 12.44 -0.04 -1.26 -2.61 135.00 143.06 2g35 n PRO 59 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2g35 n PRO 59 Cb 0.57 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 2g35 n PRO 59 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2g35 n LYS 60 N 0.64 0.00 -4.15 0.54 2.85 -1.24 -4.88 118.16 111.91 2g35 n LYS 60 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 2g35 n LYS 60 Cb 0.00 -0.15 -0.10 0.00 -0.65 0.00 0.00 35.03 34.13 2g35 n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2g35 s SER 61 N -1.33 0.48 -0.01 -5.58 1.04 -1.07 0.17 113.70 107.39 2g35 s SER 61 Ca 0.00 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 55.33 2g35 s SER 61 Cb 0.00 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2g35 s SER 61 CO 0.00 -0.68 -0.23 0.12 0.98 0.00 0.00 173.24 173.43 2g35 s PHE 62 N -3.97 2.06 -0.02 5.02 5.36 -0.63 -0.73 117.98 125.07 2g35 s PHE 62 Ca 0.21 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.82 2g35 s PHE 62 Cb 0.07 -1.31 -0.00 0.00 -0.34 0.00 0.00 43.02 41.44 2g35 s PHE 62 CO 0.00 -0.01 -0.09 0.99 -1.46 0.00 0.00 175.22 174.65 2g35 s THR 63 N -0.59 0.79 0.17 0.12 2.01 -0.70 -1.95 115.64 115.49 2g35 s THR 63 Ca 0.09 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.76 2g35 s THR 63 Cb -0.09 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 2g35 s THR 63 CO -0.00 0.24 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.57 2g35 s LEU 64 N 0.06 2.53 -0.05 4.42 2.34 -0.88 -0.62 118.68 126.48 2g35 s LEU 64 Ca -0.01 -1.00 0.03 0.00 0.06 0.00 0.00 54.13 53.20 2g35 s LEU 64 Cb -0.07 -0.48 0.01 0.00 -0.56 0.00 0.00 46.19 45.09 2g35 s LEU 64 CO 0.00 -0.26 -0.11 -0.62 -1.06 0.00 0.00 176.35 174.30 2g35 s ASP 65 N -3.17 1.55 0.00 1.48 2.15 0.04 -2.33 116.67 116.39 2g35 s ASP 65 Ca 0.18 -0.25 0.18 0.00 0.43 0.00 0.00 52.55 53.09 2g35 s ASP 65 Cb 0.01 -0.58 0.06 0.00 -0.30 0.00 0.00 42.92 42.11 2g35 s ASP 65 CO 0.03 0.05 0.97 0.49 -0.17 0.00 0.00 175.17 176.55 2g35 n PHE 66 N 3.55 0.00 -0.83 -5.34 3.72 -1.26 0.16 117.46 117.46 2g35 n PHE 66 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2g35 n PHE 66 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2g35 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g35 n GLY 67 N 1.13 1.30 3.45 1.37 0.00 -1.26 -4.71 105.19 106.47 2g35 n GLY 67 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 2g35 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g35 s ASP 68 N -3.14 6.61 0.33 1.61 1.01 -1.26 -4.86 116.67 116.98 2g35 s ASP 68 Ca 0.00 -1.99 0.12 0.00 0.71 0.00 0.00 52.55 51.39 2g35 s ASP 68 Cb 0.00 -2.40 0.94 0.00 1.01 0.00 0.00 42.92 42.47 2g35 s ASP 68 CO 0.00 -1.09 1.73 0.22 0.21 0.00 0.00 175.17 176.24 2g35 h TYR 69 N 8.89 0.95 0.03 4.23 3.20 -1.92 0.99 116.97 133.33 2g35 h TYR 69 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2g35 h TYR 69 Cb 1.03 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2g35 h TYR 69 CO 1.16 0.04 -0.08 1.96 -1.64 0.00 0.00 178.16 179.60 2g35 h GLN 70 N 0.53 -0.12 0.00 1.82 1.08 -2.03 -1.39 115.11 114.99 2g35 h GLN 70 Ca 0.65 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.84 2g35 h GLN 70 Cb 1.33 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.78 2g35 h GLN 70 CO -0.46 -0.08 -0.06 0.22 -0.95 0.00 0.00 178.83 177.50 2g35 h ASP 71 N -0.13 0.00 -3.60 1.46 1.82 -1.71 -3.48 116.42 110.78 2g35 h ASP 71 Ca -0.00 0.00 0.13 0.00 -0.39 0.00 0.00 57.03 56.76 2g35 h ASP 71 Cb 0.12 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 2g35 h ASP 71 CO -0.04 0.06 -0.17 0.61 -1.61 0.00 0.00 179.24 178.09 2g35 n GLY 72 N -1.37 -2.06 3.73 -0.78 0.00 0.33 -4.85 105.19 100.20 2g35 n GLY 72 Ca -0.03 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2g35 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g35 s TYR 73 N -1.24 2.41 -0.23 1.61 2.02 -1.26 -4.68 117.35 115.98 2g35 s TYR 73 Ca 0.00 1.24 -0.02 0.00 -0.37 0.00 0.00 57.07 57.92 2g35 s TYR 73 Cb 0.00 -3.16 0.07 0.00 -0.40 0.00 0.00 41.96 38.47 2g35 s TYR 73 CO 0.00 -2.28 0.02 -0.47 -1.57 0.00 0.00 175.55 171.25 2g35 s TYR 74 N -2.97 1.49 0.12 2.71 5.04 -0.98 -5.01 117.35 117.74 2g35 s TYR 74 Ca 0.63 -1.24 0.06 0.00 -2.44 0.00 0.00 57.07 54.07 2g35 s TYR 74 Cb -0.17 -1.29 -0.04 0.00 0.35 0.00 0.00 41.96 40.81 2g35 s TYR 74 CO 0.56 -0.70 -0.14 0.45 -1.34 0.00 0.00 175.55 174.39 2g35 s SER 75 N 1.70 1.91 0.28 4.32 0.15 -1.26 -2.08 113.70 118.71 2g35 s SER 75 Ca -0.00 -0.80 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 2g35 s SER 75 Cb -0.18 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2g35 s SER 75 CO -0.11 -0.16 0.51 0.68 1.20 0.00 0.00 173.24 175.37 2g35 s VAL 76 N -2.13 0.00 0.09 4.45 -7.23 -0.82 -4.96 120.40 109.80 2g35 s VAL 76 Ca 0.08 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.55 2g35 s VAL 76 Cb -0.05 -2.33 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 2g35 s VAL 76 CO 0.03 0.00 1.03 -1.10 -0.31 0.00 0.00 175.10 174.74 2g35 s GLN 77 N -3.71 4.61 -0.16 4.82 -0.21 -0.92 -1.61 119.66 122.48 2g35 s GLN 77 Ca 0.23 1.55 -0.08 0.00 0.02 0.00 0.00 55.36 57.08 2g35 s GLN 77 Cb -0.01 -3.37 0.06 0.00 1.00 0.00 0.00 33.01 30.69 2g35 s GLN 77 CO 0.11 0.06 0.37 0.95 -2.12 0.00 0.00 175.29 174.66 2g35 s THR 78 N 0.32 -0.14 -0.29 -0.19 -4.23 0.44 -2.27 115.64 109.27 2g35 s THR 78 Ca 0.50 0.13 0.22 0.00 -1.18 0.00 0.00 61.69 61.36 2g35 s THR 78 Cb -0.25 -0.56 0.28 0.00 1.34 0.00 0.00 72.50 73.31 2g35 s THR 78 CO 0.30 0.05 1.62 0.74 -0.54 0.00 0.00 174.62 176.80 2g35 h THR 79 N 5.75 0.23 -0.25 3.99 2.02 -1.85 -3.11 112.91 119.69 2g35 h THR 79 Ca -0.33 -1.24 -0.14 0.00 0.77 0.00 0.00 66.41 65.47 2g35 h THR 79 Cb 1.16 2.04 -0.09 0.00 -1.74 0.00 0.00 68.15 69.52 2g35 h THR 79 CO 0.28 0.13 -0.30 -0.62 0.37 0.00 0.00 175.52 175.37 2g35 n GLU 80 N -3.14 1.88 0.17 6.66 1.02 -1.26 -4.74 120.64 121.22 2g35 n GLU 80 Ca 0.03 -3.32 0.06 0.00 -0.02 0.00 0.00 57.16 53.90 2g35 n GLU 80 Cb 0.55 -1.78 0.30 0.00 -0.02 0.00 0.00 31.44 30.49 2g35 n GLU 80 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2g35 h GLY 81 N 1.11 0.00 0.05 0.62 0.00 -1.79 0.17 103.07 103.23 2g35 h GLY 81 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 2g35 h GLY 81 CO 0.28 0.00 -0.02 -2.09 0.00 0.00 0.00 176.54 174.71 2g35 h GLU 82 N 0.00 -0.05 -0.55 4.80 4.81 -1.85 -2.92 114.58 118.82 2g35 h GLU 82 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2g35 h GLU 82 Cb 0.77 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.09 2g35 h GLU 82 CO 0.00 0.19 0.14 1.96 -0.73 0.00 0.00 179.01 180.57 2g35 h GLN 83 N -1.00 0.28 -0.49 1.92 4.20 -1.38 1.21 115.11 119.85 2g35 h GLN 83 Ca -0.01 -0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.83 2g35 h GLN 83 Cb 0.26 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2g35 h GLN 83 CO 0.01 0.19 0.40 0.82 -0.67 0.00 0.00 178.83 179.58 2g35 h ILE 84 N 0.29 0.59 0.01 2.54 2.04 -1.48 1.61 117.51 123.11 2g35 h ILE 84 Ca 0.28 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.89 2g35 h ILE 84 Cb 0.37 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2g35 h ILE 84 CO -0.33 0.00 -1.30 0.00 0.00 0.00 0.00 178.15 176.52 2g35 h ALA 85 N 1.66 0.50 0.16 1.87 0.00 0.14 -2.52 119.26 121.08 2g35 h ALA 85 Ca 0.23 -1.13 -0.30 0.00 0.00 0.00 0.00 54.91 53.71 2g35 h ALA 85 Cb 1.04 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2g35 h ALA 85 CO -0.00 1.37 -1.40 0.37 0.00 0.00 0.00 179.25 179.59 2g35 h GLN 86 N 0.01 0.35 -0.37 0.00 4.15 0.45 0.26 115.11 119.95 2g35 h GLN 86 Ca -0.13 -0.59 -0.11 0.00 0.77 0.00 0.00 58.65 58.59 2g35 h GLN 86 Cb 1.88 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.78 2g35 h GLN 86 CO 0.11 1.26 -0.20 1.25 -1.93 0.00 0.00 178.83 179.33 2g35 h LEU 87 N 0.09 0.82 0.06 -2.39 5.85 0.19 -0.34 115.31 119.60 2g35 h LEU 87 Ca -0.20 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 2g35 h LEU 87 Cb 2.04 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.85 2g35 h LEU 87 CO 0.21 1.05 -0.03 0.40 -0.34 0.00 0.00 178.44 179.74 2g35 h ILE 88 N 0.59 1.24 0.00 4.05 2.04 -1.51 -2.71 117.51 121.20 2g35 h ILE 88 Ca 0.08 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.49 2g35 h ILE 88 Cb 0.75 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2g35 h ILE 88 CO 0.06 0.34 0.09 0.00 0.00 0.00 0.00 178.15 178.64 2g35 h ALA 89 N 0.01 1.07 0.00 1.87 0.00 -0.49 0.76 119.26 122.49 2g35 h ALA 89 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2g35 h ALA 89 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2g35 h ALA 89 CO 0.01 -0.07 -1.16 0.78 0.00 0.00 0.00 179.25 178.81 2g35 h GLY 90 N 0.00 0.00 1.53 0.00 0.00 -0.88 -3.34 103.07 100.38 2g35 h GLY 90 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2g35 h GLY 90 CO 0.00 0.00 -1.18 -0.97 0.00 0.00 0.00 176.54 174.39 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.55 -3.29 116.97 118.79 2g35 h TYR 91 Ca -0.12 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.63 2g35 h TYR 91 Cb 1.53 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.26 2g35 h TYR 91 CO 0.00 0.83 -0.14 0.82 -1.05 0.00 0.00 178.16 178.62 2g35 h ILE 92 N 0.00 0.66 0.00 -2.88 2.04 -1.57 -1.93 117.51 113.84 2g35 h ILE 92 Ca -0.11 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 2g35 h ILE 92 Cb 1.73 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2g35 h ILE 92 CO 0.09 0.14 -0.61 0.44 0.00 0.00 0.00 178.15 178.21 2g35 h ASP 93 N 0.00 0.00 1.21 1.72 5.19 -1.69 -3.23 116.42 119.61 2g35 h ASP 93 Ca -0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2g35 h ASP 93 Cb 0.37 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 2g35 h ASP 93 CO 0.02 0.12 -0.82 0.40 -3.12 0.00 0.00 179.24 175.85 2g35 h ILE 94 N 0.00 0.18 0.06 0.35 2.04 -1.44 -2.95 117.51 115.75 2g35 h ILE 94 Ca -0.02 -1.30 -0.27 0.00 1.00 0.00 0.00 64.86 64.27 2g35 h ILE 94 Cb 1.11 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 2g35 h ILE 94 CO 0.01 0.10 -1.36 0.16 0.00 0.00 0.00 178.15 177.06 2g35 h ILE 95 N 0.00 1.32 0.00 -0.67 3.07 -1.52 -3.29 117.51 116.42 2g35 h ILE 95 Ca -0.03 -3.01 -0.10 0.00 1.55 0.00 0.00 64.86 63.27 2g35 h ILE 95 Cb 1.15 2.76 -0.01 0.00 -0.27 0.00 0.00 36.82 40.44 2g35 h ILE 95 CO 0.02 0.82 -0.49 -0.07 -1.05 0.00 0.00 178.15 177.38 2g35 h LEU 96 N 0.04 0.00 -1.53 0.16 3.38 -1.66 -3.20 115.31 112.49 2g35 h LEU 96 Ca -0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2g35 h LEU 96 Cb 1.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 2g35 h LEU 96 CO 0.14 0.45 -0.22 0.50 0.09 0.00 0.00 178.44 179.40 2g35 h LYS 97 N 0.00 0.00 0.08 1.13 3.11 -1.59 0.22 116.57 119.53 2g35 h LYS 97 Ca -0.01 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2g35 h LYS 97 Cb 1.35 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.58 2g35 h LYS 97 CO 0.06 0.22 -0.04 0.87 -2.81 0.00 0.00 179.45 177.75 2g35 h LYS 98 N 0.00 -0.10 -0.14 1.90 1.79 -1.65 -3.31 116.57 115.06 2g35 h LYS 98 Ca -0.00 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 2g35 h LYS 98 Cb 0.53 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2g35 h LYS 98 CO 0.03 0.39 -0.15 0.87 -1.08 0.00 0.00 179.45 179.50 2g35 h LYS 99 N -0.66 0.35 -0.01 3.15 1.57 -1.65 -3.53 116.57 115.79 2g35 h LYS 99 Ca -0.01 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2g35 h LYS 99 Cb 0.54 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2g35 h LYS 99 CO 0.02 0.75 0.00 1.63 -0.57 0.00 0.00 179.45 181.28