#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 0.20 -1.95 3.23 4.01 -1.26 -1.89 118.16 120.51 2g35 n LYS 2 Ca 0.00 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.52 2g35 n LYS 2 Cb 0.00 -1.41 0.03 0.00 -0.51 0.00 0.00 35.03 33.14 2g35 n LYS 2 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2g35 n THR 3 N -0.91 2.79 -1.49 -0.18 -2.24 -1.26 -4.99 114.28 106.00 2g35 n THR 3 Ca 0.04 -4.08 -0.45 0.00 -2.27 0.00 0.00 64.05 57.29 2g35 n THR 3 Cb 0.02 -1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 67.01 2g35 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g35 n TYR 4 N -0.71 1.46 -3.57 4.78 4.19 -0.79 -2.59 117.16 119.94 2g35 n TYR 4 Ca 0.48 0.21 -0.22 0.00 3.31 0.00 0.00 57.90 61.68 2g35 n TYR 4 Cb 0.81 -2.56 0.02 0.00 0.49 0.00 0.00 39.34 38.11 2g35 n TYR 4 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2g35 n GLY 5 N 6.35 -1.15 3.12 2.98 0.00 -1.26 -4.99 105.19 110.23 2g35 n GLY 5 Ca 0.42 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.72 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 -3.21 1.15 -0.72 1.61 1.01 -1.07 -5.08 120.40 114.09 2g35 s VAL 6 Ca 0.22 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 2g35 s VAL 6 Cb -0.08 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.39 2g35 s VAL 6 CO 0.85 0.31 1.18 -0.44 0.00 0.00 0.00 175.10 176.99 2g35 s SER 7 N -0.38 6.18 0.30 3.32 0.01 -1.26 -4.90 113.70 116.97 2g35 s SER 7 Ca 0.05 -0.68 -0.18 0.00 1.31 0.00 0.00 55.95 56.45 2g35 s SER 7 Cb -0.06 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 2g35 s SER 7 CO -0.00 -1.69 0.77 0.72 0.41 0.00 0.00 173.24 173.45 2g35 s PHE 8 N 5.11 3.50 -0.07 2.43 -0.12 -1.26 -2.26 117.98 125.31 2g35 s PHE 8 Ca 0.31 1.37 0.02 0.00 -0.05 0.00 0.00 56.93 58.57 2g35 s PHE 8 Cb -0.11 -2.63 0.01 0.00 -0.63 0.00 0.00 43.02 39.67 2g35 s PHE 8 CO 0.12 0.17 -0.12 -0.06 -0.05 0.00 0.00 175.22 175.28 2g35 s PHE 9 N -1.80 1.50 -0.63 3.49 0.40 -0.68 -4.79 117.98 115.49 2g35 s PHE 9 Ca 0.50 -0.57 -0.27 0.00 -0.60 0.00 0.00 56.93 55.99 2g35 s PHE 9 Cb -0.13 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.31 2g35 s PHE 9 CO 0.19 -0.30 1.39 -1.17 0.70 0.00 0.00 175.22 176.03 2g35 s LEU 10 N 0.72 3.32 0.06 -0.37 2.96 -1.26 -1.73 118.68 122.38 2g35 s LEU 10 Ca -0.13 0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 2g35 s LEU 10 Cb -0.16 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2g35 s LEU 10 CO 0.03 -1.80 -0.12 0.68 -1.32 0.00 0.00 176.35 173.82 2g35 s VAL 11 N 6.15 3.24 -0.11 1.68 -7.23 0.77 -4.74 120.40 120.16 2g35 s VAL 11 Ca 0.47 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 59.46 2g35 s VAL 11 Cb -0.10 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2g35 s VAL 11 CO 0.21 0.24 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.69 2g35 s LYS 12 N -1.82 3.25 0.27 4.82 1.02 -0.41 0.32 119.74 127.19 2g35 s LYS 12 Ca 0.18 -0.45 0.08 0.00 0.02 0.00 0.00 55.97 55.80 2g35 s LYS 12 Cb -0.11 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2g35 s LYS 12 CO 0.10 0.52 0.15 -1.21 -0.92 0.00 0.00 175.35 173.99 2g35 s GLU 13 N -0.40 2.73 -0.39 1.68 2.02 0.85 0.70 118.70 125.88 2g35 s GLU 13 Ca 0.07 -1.19 -0.02 0.00 0.02 0.00 0.00 54.97 53.85 2g35 s GLU 13 Cb -0.12 -2.44 0.10 0.00 0.10 0.00 0.00 34.13 31.77 2g35 s GLU 13 CO 0.02 0.35 0.17 0.15 0.02 0.00 0.00 175.26 175.98 2g35 s LYS 14 N -3.81 1.99 0.58 1.61 -0.14 -1.26 0.19 119.74 118.90 2g35 s LYS 14 Ca 0.33 -1.78 -0.18 0.00 -1.36 0.00 0.00 55.97 52.99 2g35 s LYS 14 Cb -0.07 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 2g35 s LYS 14 CO 0.24 -1.02 1.11 -1.64 -0.76 0.00 0.00 175.35 173.27 2g35 s MET 15 N 1.13 3.22 0.00 1.68 -1.94 -1.26 -5.00 119.30 117.14 2g35 s MET 15 Ca 0.07 1.48 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 2g35 s MET 15 Cb -0.22 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.62 2g35 s MET 15 CO -0.04 -0.93 0.08 0.36 -0.01 0.00 0.00 175.02 174.48 2g35 n LYS 16 N -1.68 0.00 -0.50 2.03 -0.00 -1.26 -3.08 118.16 113.67 2g35 n LYS 16 Ca 0.11 0.01 0.40 0.00 -0.00 0.00 0.00 58.31 58.82 2g35 n LYS 16 Cb 0.52 -0.58 0.61 0.00 -0.00 0.00 0.00 35.03 35.57 2g35 n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2g35 n GLY 17 N -0.09 -0.78 3.63 2.58 0.00 -1.26 -3.99 105.19 105.28 2g35 n GLY 17 Ca 0.00 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.17 2g35 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g35 s LYS 18 N -4.42 4.00 0.00 1.61 3.01 -1.18 -4.89 119.74 117.88 2g35 s LYS 18 Ca -0.04 -0.31 0.29 0.00 -1.01 0.00 0.00 55.97 54.91 2g35 s LYS 18 Cb 0.20 -3.50 1.69 0.00 -1.01 0.00 0.00 37.83 35.20 2g35 s LYS 18 CO 0.66 0.03 2.05 -1.71 0.51 0.00 0.00 175.35 176.89 2g35 n ASN 19 N 4.38 0.00 -2.28 2.83 5.15 -1.26 -4.10 115.26 119.98 2g35 n ASN 19 Ca -0.15 -0.80 -0.04 0.00 -0.60 0.00 0.00 54.58 52.99 2g35 n ASN 19 Cb 0.52 -0.04 0.03 0.00 -0.53 0.00 0.00 39.78 39.76 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2g35 n LYS 20 N -1.04 -0.17 -4.44 1.20 3.00 -1.26 -5.00 118.16 110.46 2g35 n LYS 20 Ca 0.21 -0.30 -0.24 0.00 -0.00 0.00 0.00 58.31 57.98 2g35 n LYS 20 Cb 0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 35.03 34.85 2g35 n LYS 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2g35 s LEU 21 N 0.00 2.55 -0.20 3.14 1.02 -1.26 -4.01 118.68 119.92 2g35 s LEU 21 Ca 0.11 -0.99 0.01 0.00 0.02 0.00 0.00 54.13 53.27 2g35 s LEU 21 Cb -0.00 -1.03 0.04 0.00 0.02 0.00 0.00 46.19 45.22 2g35 s LEU 21 CO 0.08 0.02 -0.10 -0.69 0.02 0.00 0.00 176.35 175.67 2g35 s VAL 22 N -2.42 1.61 0.59 -1.59 1.01 0.52 -4.87 120.40 115.25 2g35 s VAL 22 Ca 0.27 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 2g35 s VAL 22 Cb -0.05 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2g35 s VAL 22 CO 0.13 0.17 1.17 -2.65 0.00 0.00 0.00 175.10 173.91 2g35 n PRO 23 N 4.70 1.20 -3.67 2.72 -0.02 -1.26 -0.11 135.00 138.56 2g35 n PRO 23 Ca -0.14 0.46 -0.15 0.00 -2.02 0.00 0.00 63.50 61.64 2g35 n PRO 23 Cb 0.47 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.49 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 -2.94 0.75 -0.07 -0.52 6.06 0.15 -4.02 118.95 118.36 2g35 s ARG 24 Ca 0.76 0.35 -0.02 0.00 -2.50 0.00 0.00 55.73 54.33 2g35 s ARG 24 Cb -0.41 0.35 -0.03 0.00 0.06 0.00 0.00 34.95 34.91 2g35 s ARG 24 CO 0.46 -0.17 0.02 -0.51 -2.50 0.00 0.00 175.30 172.60 2g35 s LEU 25 N -0.56 3.67 -0.24 -0.88 1.43 0.30 -0.16 118.68 122.24 2g35 s LEU 25 Ca -0.07 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2g35 s LEU 25 Cb -0.03 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.33 2g35 s LEU 25 CO 0.04 0.35 -0.01 -0.22 0.23 0.00 0.00 176.35 176.74 2g35 s LEU 26 N -1.10 2.30 -0.15 1.79 2.96 -0.71 -0.47 118.68 123.30 2g35 s LEU 26 Ca 0.15 -1.17 -0.24 0.00 -0.22 0.00 0.00 54.13 52.65 2g35 s LEU 26 Cb -0.11 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 2g35 s LEU 26 CO 0.05 -0.27 0.75 -0.83 -1.32 0.00 0.00 176.35 174.73 2g35 s GLY 27 N 1.51 2.20 -0.39 7.98 0.00 -0.64 -1.68 107.32 116.30 2g35 s GLY 27 Ca -0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.53 2g35 s GLY 27 CO -0.08 1.48 0.32 -0.42 0.00 0.00 0.00 173.10 174.39 2g35 s ILE 28 N 1.80 5.23 0.35 0.90 1.09 -0.96 0.83 121.20 130.44 2g35 s ILE 28 Ca 0.36 -0.46 0.06 0.00 -1.10 0.00 0.00 60.65 59.50 2g35 s ILE 28 Cb -0.17 -3.90 -0.01 0.00 -1.06 0.00 0.00 42.46 37.33 2g35 s ILE 28 CO 0.13 -0.25 0.50 -0.89 -0.10 0.00 0.00 174.94 174.33 2g35 s THR 29 N 1.79 4.07 -0.31 2.92 2.01 0.31 -4.27 115.64 122.17 2g35 s THR 29 Ca 0.07 -0.93 0.27 0.00 0.31 0.00 0.00 61.69 61.41 2g35 s THR 29 Cb -0.18 -3.42 0.32 0.00 0.01 0.00 0.00 72.50 69.22 2g35 s THR 29 CO 0.11 -0.18 1.81 0.07 -0.69 0.00 0.00 174.62 175.73 2g35 h LYS 30 N 0.83 0.00 0.00 4.92 2.10 -1.97 -3.12 116.57 119.32 2g35 h LYS 30 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2g35 h LYS 30 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2g35 h LYS 30 CO 0.53 0.00 -0.64 0.39 -2.00 0.00 0.00 179.45 177.74 2g35 n GLU 31 N -2.64 3.31 -3.62 0.07 1.02 -1.26 -4.76 120.64 112.76 2g35 n GLU 31 Ca 0.02 -0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 2g35 n GLU 31 Cb 0.32 -0.94 -0.01 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.59 4.25 -0.07 0.00 1.01 -0.77 0.11 120.40 122.35 2g35 s VAL 33 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2g35 s VAL 33 Cb 0.02 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2g35 s VAL 33 CO -0.04 0.48 0.10 0.00 0.00 0.00 0.00 175.10 175.64 2g35 s MET 34 N 0.38 3.23 -0.17 2.72 0.23 0.24 -1.38 119.30 124.55 2g35 s MET 34 Ca -0.01 -0.32 -0.18 0.00 -1.03 0.00 0.00 55.69 54.15 2g35 s MET 34 Cb -0.13 -2.99 -0.04 0.00 -1.53 0.00 0.00 34.83 30.14 2g35 s MET 34 CO 0.02 0.71 0.47 1.03 -2.03 0.00 0.00 175.02 175.22 2g35 s ARG 35 N -1.30 4.24 -0.09 3.16 0.52 0.72 -1.62 118.95 124.58 2g35 s ARG 35 Ca 0.18 0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 2g35 s ARG 35 Cb -0.12 -3.51 0.02 0.00 0.52 0.00 0.00 34.95 31.86 2g35 s ARG 35 CO 0.08 -0.01 -0.07 0.08 0.02 0.00 0.00 175.30 175.39 2g35 s VAL 36 N 1.20 0.92 0.54 3.52 1.01 0.38 0.10 120.40 128.08 2g35 s VAL 36 Ca 0.23 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 2g35 s VAL 36 Cb -0.15 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2g35 s VAL 36 CO 0.09 0.34 1.18 -1.81 0.00 0.00 0.00 175.10 174.91 2g35 s ASP 37 N 1.46 5.59 0.20 3.32 1.11 -0.71 0.11 116.67 127.76 2g35 s ASP 37 Ca -0.00 2.33 0.23 0.00 0.18 0.00 0.00 52.55 55.28 2g35 s ASP 37 Cb -0.13 -2.60 0.10 0.00 1.07 0.00 0.00 42.92 41.36 2g35 s ASP 37 CO -0.05 -1.32 1.14 -0.08 1.18 0.00 0.00 175.17 176.05 2g35 h GLU 38 N 1.29 0.00 0.02 8.23 4.22 -1.88 0.62 114.58 127.09 2g35 h GLU 38 Ca -0.50 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.94 2g35 h GLU 38 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2g35 h GLU 38 CO 0.57 0.00 -0.01 -0.22 -2.18 0.00 0.00 179.01 177.17 2g35 h LYS 39 N 0.00 -0.03 -0.01 1.92 3.64 -1.91 -3.35 116.57 116.83 2g35 h LYS 39 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2g35 h LYS 39 Cb 0.94 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2g35 h LYS 39 CO 0.00 0.68 -0.55 0.25 -2.27 0.00 0.00 179.45 177.56 2g35 n THR 40 N -4.71 0.00 -1.45 1.00 -2.24 -1.26 -4.93 114.28 100.70 2g35 n THR 40 Ca -0.08 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 2g35 n THR 40 Cb 0.35 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.60 2g35 n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2g35 n LYS 41 N -0.43 -1.35 -3.85 -0.78 4.76 0.21 -4.91 118.16 111.81 2g35 n LYS 41 Ca 0.08 0.71 -0.21 0.00 -2.87 0.00 0.00 58.31 56.03 2g35 n LYS 41 Cb 0.42 -4.97 -0.03 0.00 -1.84 0.00 0.00 35.03 28.61 2g35 n LYS 41 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2g35 s GLU 42 N -3.21 2.88 0.04 1.97 2.12 -1.25 -4.83 118.70 116.42 2g35 s GLU 42 Ca 0.00 -1.15 -0.28 0.00 0.36 0.00 0.00 54.97 53.90 2g35 s GLU 42 Cb 0.00 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 2g35 s GLU 42 CO 0.00 0.19 0.89 0.08 -0.54 0.00 0.00 175.26 175.88 2g35 s VAL 43 N -2.22 4.75 -0.08 3.70 1.01 -1.26 -1.73 120.40 124.56 2g35 s VAL 43 Ca 0.39 1.88 0.09 0.00 0.00 0.00 0.00 61.98 64.34 2g35 s VAL 43 Cb -0.07 -4.24 -0.13 0.00 0.00 0.00 0.00 36.38 31.94 2g35 s VAL 43 CO 0.27 0.27 0.07 -0.38 0.00 0.00 0.00 175.10 175.33 2g35 n ILE 44 N 3.28 0.56 -3.65 2.22 2.08 0.29 -4.94 119.36 119.20 2g35 n ILE 44 Ca 0.02 -0.39 -0.07 0.00 0.56 0.00 0.00 62.75 62.87 2g35 n ILE 44 Cb 0.50 -0.56 -0.02 0.00 -0.75 0.00 0.00 39.64 38.81 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 -2.33 1.30 0.05 0.38 0.74 -1.18 -4.94 119.66 113.68 2g35 s GLN 45 Ca -0.05 -0.63 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 2g35 s GLN 45 Cb 0.04 0.50 -0.03 0.00 1.10 0.00 0.00 33.01 34.62 2g35 s GLN 45 CO 0.41 -0.59 0.01 -1.21 -0.55 0.00 0.00 175.29 173.36 2g35 s GLU 46 N -3.54 0.61 0.01 1.67 2.02 -1.26 0.26 118.70 118.47 2g35 s GLU 46 Ca 0.08 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.98 2g35 s GLU 46 Cb -0.02 0.22 -0.01 0.00 0.10 0.00 0.00 34.13 34.41 2g35 s GLU 46 CO -0.02 -0.13 -0.02 -1.58 0.02 0.00 0.00 175.26 173.53 2g35 s TRP 47 N -3.57 0.20 0.01 1.61 0.51 -0.48 -4.95 118.94 112.28 2g35 s TRP 47 Ca 0.04 -0.28 -0.30 0.00 -2.12 0.00 0.00 56.10 53.44 2g35 s TRP 47 Cb 0.05 -0.14 -0.04 0.00 -0.81 0.00 0.00 33.47 32.54 2g35 s TRP 47 CO -0.09 -0.09 0.96 -1.12 -0.51 0.00 0.00 176.95 176.10 2g35 s SER 48 N -0.79 7.36 0.51 2.95 0.01 -1.26 -1.85 113.70 120.64 2g35 s SER 48 Ca -0.08 1.65 0.24 0.00 1.31 0.00 0.00 55.95 59.08 2g35 s SER 48 Cb -0.05 -2.56 1.34 0.00 0.21 0.00 0.00 66.02 64.95 2g35 s SER 48 CO -0.00 -0.22 1.96 -0.07 0.41 0.00 0.00 173.24 175.32 2g35 h LEU 49 N 6.58 0.09 0.00 2.44 3.38 -1.86 1.12 115.31 127.06 2g35 h LEU 49 Ca -0.41 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2g35 h LEU 49 Cb 1.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2g35 h LEU 49 CO 0.74 0.04 0.00 0.35 0.09 0.00 0.00 178.44 179.67 2g35 n THR 50 N -4.38 0.28 0.01 0.22 -2.24 -1.26 -2.79 114.28 104.12 2g35 n THR 50 Ca 0.13 0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.80 2g35 n THR 50 Cb 0.66 -0.74 -0.14 0.00 -2.10 0.00 0.00 70.33 68.02 2g35 n THR 50 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2g35 h ASN 51 N 0.00 0.33 -2.01 3.42 -0.73 0.94 -3.45 115.58 114.08 2g35 h ASN 51 Ca 0.00 -0.68 -0.59 0.00 1.87 0.00 0.00 56.30 56.90 2g35 h ASN 51 Cb 0.14 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.62 2g35 h ASN 51 CO 0.00 1.61 1.48 -0.63 -0.37 0.00 0.00 177.43 179.52 2g35 s ILE 52 N -2.58 3.01 -0.05 2.57 1.01 -1.12 -4.29 121.20 119.75 2g35 s ILE 52 Ca -0.16 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 2g35 s ILE 52 Cb 0.07 -3.01 -0.28 0.00 0.01 0.00 0.00 42.46 39.25 2g35 s ILE 52 CO 0.80 -0.01 0.94 0.50 0.00 0.00 0.00 174.94 177.17 2g35 h LYS 53 N 14.93 0.25 0.00 2.79 3.64 0.38 -3.48 116.57 135.07 2g35 h LYS 53 Ca -0.41 -0.36 -0.18 0.00 -1.27 0.00 0.00 60.65 58.44 2g35 h LYS 53 Cb 1.24 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 2g35 h LYS 53 CO 0.96 1.12 0.04 2.89 -2.27 0.00 0.00 179.45 182.19 2g35 n ARG 54 N -4.29 0.91 -3.91 1.90 1.85 -1.23 -4.98 116.66 106.91 2g35 n ARG 54 Ca -0.12 -2.61 -0.08 0.00 -1.00 0.00 0.00 57.85 54.05 2g35 n ARG 54 Cb 0.68 2.79 -0.03 0.00 -1.05 0.00 0.00 32.46 34.85 2g35 n ARG 54 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 2g35 s TRP 55 N -2.54 0.02 -0.20 2.89 -2.14 -1.26 -0.84 118.94 114.87 2g35 s TRP 55 Ca 0.24 -0.44 -0.04 0.00 2.66 0.00 0.00 56.10 58.52 2g35 s TRP 55 Cb -0.03 0.52 0.10 0.00 -3.10 0.00 0.00 33.47 30.96 2g35 s TRP 55 CO 0.17 -1.15 0.30 0.00 -2.66 0.00 0.00 176.95 173.61 2g35 s ALA 56 N -3.95 -0.67 -0.12 2.67 0.00 -0.44 -4.96 121.76 114.29 2g35 s ALA 56 Ca 0.15 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 2g35 s ALA 56 Cb -0.04 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2g35 s ALA 56 CO 0.08 -1.06 0.17 0.00 0.00 0.00 0.00 175.76 174.95 2g35 s ALA 57 N 2.44 3.82 0.25 0.00 0.00 -1.26 -1.52 121.76 125.49 2g35 s ALA 57 Ca 0.07 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.51 2g35 s ALA 57 Cb -0.14 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 2g35 s ALA 57 CO -0.12 0.51 -0.13 -1.12 0.00 0.00 0.00 175.76 174.89 2g35 s SER 58 N -0.75 2.91 0.00 0.00 0.01 0.41 -4.89 113.70 111.39 2g35 s SER 58 Ca 0.15 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2g35 s SER 58 Cb -0.12 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2g35 s SER 58 CO 0.04 -0.17 0.39 -0.81 0.41 0.00 0.00 173.24 173.10 2g35 n PRO 59 N -0.51 0.00 0.00 12.44 -0.04 -1.26 -2.83 135.00 142.81 2g35 n PRO 59 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2g35 n PRO 59 Cb 0.61 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.89 2.18 -4.43 0.54 2.85 -1.20 -4.71 118.16 112.49 2g35 n LYS 60 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 2g35 n LYS 60 Cb 0.00 -0.18 -0.10 0.00 -0.65 0.00 0.00 35.03 34.10 2g35 n LYS 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2g35 s SER 61 N 0.00 2.20 -0.09 -5.58 0.15 -1.04 0.27 113.70 109.60 2g35 s SER 61 Ca 0.00 -1.46 -0.09 0.00 0.70 0.00 0.00 55.95 55.09 2g35 s SER 61 Cb 0.00 0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 2g35 s SER 61 CO 0.00 -0.73 0.26 0.12 1.20 0.00 0.00 173.24 174.09 2g35 s PHE 62 N -3.38 -0.28 0.02 3.44 5.36 -0.73 -0.45 117.98 121.96 2g35 s PHE 62 Ca 0.33 0.68 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 2g35 s PHE 62 Cb 0.07 0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.83 2g35 s PHE 62 CO 0.15 -0.14 -0.05 0.99 -1.46 0.00 0.00 175.22 174.71 2g35 s THR 63 N 0.09 0.28 0.22 0.12 2.01 -0.57 -2.00 115.64 115.78 2g35 s THR 63 Ca -0.00 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.21 2g35 s THR 63 Cb -0.02 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 2g35 s THR 63 CO 0.00 -0.36 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.76 2g35 s LEU 64 N -1.26 2.39 -0.09 4.42 1.43 -0.62 -1.33 118.68 123.63 2g35 s LEU 64 Ca -0.11 -1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 51.85 2g35 s LEU 64 Cb -0.08 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.73 2g35 s LEU 64 CO -0.00 -0.38 -0.04 -0.62 0.23 0.00 0.00 176.35 175.54 2g35 s ASP 65 N -3.31 1.79 0.00 2.29 2.15 -0.02 -2.15 116.67 117.42 2g35 s ASP 65 Ca 0.25 -0.19 0.22 0.00 0.43 0.00 0.00 52.55 53.26 2g35 s ASP 65 Cb 0.04 -0.62 0.25 0.00 -0.30 0.00 0.00 42.92 42.29 2g35 s ASP 65 CO 0.07 -0.14 1.25 0.49 -0.17 0.00 0.00 175.17 176.67 2g35 n PHE 66 N 4.93 0.17 -0.30 -5.34 3.72 -1.26 0.28 117.46 119.66 2g35 n PHE 66 Ca -0.11 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2g35 n PHE 66 Cb 0.50 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 1.27 1.11 3.49 1.37 0.00 -1.26 -4.76 105.19 106.42 2g35 n GLY 67 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.81 6.26 0.24 1.61 1.01 -1.26 -4.88 116.67 116.83 2g35 s ASP 68 Ca 0.00 -1.00 -0.10 0.00 0.71 0.00 0.00 52.55 52.16 2g35 s ASP 68 Cb 0.00 -2.47 0.35 0.00 1.01 0.00 0.00 42.92 41.81 2g35 s ASP 68 CO 0.00 -1.52 1.61 0.22 0.21 0.00 0.00 175.17 175.69 2g35 h TYR 69 N 9.65 -0.28 -0.12 4.23 3.20 -1.91 0.97 116.97 132.70 2g35 h TYR 69 Ca -0.18 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.79 2g35 h TYR 69 Cb 1.05 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 2g35 h TYR 69 CO 1.07 -0.30 -0.43 -0.56 -1.64 0.00 0.00 178.16 176.31 2g35 h GLN 70 N 0.03 -0.48 -0.18 1.82 3.07 -2.02 -0.96 115.11 116.39 2g35 h GLN 70 Ca 0.38 0.03 -0.11 0.00 0.09 0.00 0.00 58.65 59.04 2g35 h GLN 70 Cb 0.62 0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 2g35 h GLN 70 CO -0.74 -0.32 -0.35 0.22 0.09 0.00 0.00 178.83 177.73 2g35 h ASP 71 N -0.50 0.39 -2.13 0.06 3.58 -1.51 -3.48 116.42 112.82 2g35 h ASP 71 Ca 0.07 -0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.40 2g35 h ASP 71 Cb 0.63 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2g35 h ASP 71 CO -0.39 0.72 -0.04 0.61 -2.88 0.00 0.00 179.24 177.25 2g35 n GLY 72 N -0.23 -1.38 3.72 -0.78 0.00 0.32 -4.80 105.19 102.04 2g35 n GLY 72 Ca -0.01 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.20 2.30 -0.25 1.61 2.02 -1.26 -4.48 117.35 117.10 2g35 s TYR 73 Ca 0.00 1.07 -0.01 0.00 -0.37 0.00 0.00 57.07 57.75 2g35 s TYR 73 Cb 0.00 -3.24 0.07 0.00 -0.40 0.00 0.00 41.96 38.40 2g35 s TYR 73 CO 0.00 -2.55 0.04 -0.47 -1.57 0.00 0.00 175.55 171.00 2g35 s TYR 74 N -3.02 1.60 0.06 2.71 5.04 -0.91 -4.96 117.35 117.86 2g35 s TYR 74 Ca 0.64 -1.39 0.08 0.00 -2.44 0.00 0.00 57.07 53.96 2g35 s TYR 74 Cb -0.17 -1.41 -0.03 0.00 0.35 0.00 0.00 41.96 40.69 2g35 s TYR 74 CO 0.56 -0.75 -0.21 -1.54 -1.34 0.00 0.00 175.55 172.28 2g35 s SER 75 N 1.66 3.61 0.20 4.32 1.04 -1.26 -1.58 113.70 121.68 2g35 s SER 75 Ca 0.02 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 2g35 s SER 75 Cb -0.18 -0.48 0.01 0.00 0.10 0.00 0.00 66.02 65.47 2g35 s SER 75 CO -0.14 0.24 0.45 0.68 0.98 0.00 0.00 173.24 175.45 2g35 s VAL 76 N -0.94 0.03 0.08 5.02 -7.23 -0.85 -4.91 120.40 111.60 2g35 s VAL 76 Ca 0.14 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 2g35 s VAL 76 Cb -0.10 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 2g35 s VAL 76 CO 0.05 -0.15 1.00 -1.10 -0.31 0.00 0.00 175.10 174.60 2g35 s GLN 77 N -3.93 4.63 -0.10 4.82 -1.52 0.22 -1.78 119.66 121.99 2g35 s GLN 77 Ca 0.14 1.49 -0.04 0.00 -1.95 0.00 0.00 55.36 55.00 2g35 s GLN 77 Cb 0.00 -3.39 0.05 0.00 -0.22 0.00 0.00 33.01 29.46 2g35 s GLN 77 CO 0.01 0.09 0.22 0.95 -0.25 0.00 0.00 175.29 176.31 2g35 s THR 78 N 0.34 -0.22 -0.10 -0.19 -4.23 0.76 -1.29 115.64 110.72 2g35 s THR 78 Ca 0.50 0.24 0.30 0.00 -1.18 0.00 0.00 61.69 61.54 2g35 s THR 78 Cb -0.24 -0.37 0.37 0.00 1.34 0.00 0.00 72.50 73.61 2g35 s THR 78 CO 0.30 0.10 1.84 0.74 -0.54 0.00 0.00 174.62 177.06 2g35 h THR 79 N 6.14 0.01 -0.43 3.99 2.02 -1.85 -2.74 112.91 120.06 2g35 h THR 79 Ca -0.26 -0.71 -0.32 0.00 0.77 0.00 0.00 66.41 65.89 2g35 h THR 79 Cb 1.13 1.70 -0.32 0.00 -1.74 0.00 0.00 68.15 68.92 2g35 h THR 79 CO 0.25 0.00 -0.84 -0.62 0.37 0.00 0.00 175.52 174.68 2g35 n GLU 80 N -3.10 2.34 0.07 6.66 1.02 -1.26 -4.65 120.64 121.73 2g35 n GLU 80 Ca 0.02 -3.59 0.03 0.00 -0.02 0.00 0.00 57.16 53.60 2g35 n GLU 80 Cb 0.39 -1.73 0.15 0.00 -0.02 0.00 0.00 31.44 30.23 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g35 n GLY 81 N -0.64 -0.41 0.06 0.62 0.00 -1.20 -1.17 105.19 102.44 2g35 n GLY 81 Ca 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 2g35 n GLY 81 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2g35 h GLU 82 N 0.00 -0.01 -0.45 1.61 4.81 -1.85 -3.06 114.58 115.64 2g35 h GLU 82 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2g35 h GLU 82 Cb 0.56 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 2g35 h GLU 82 CO 0.00 0.17 0.02 1.96 -0.73 0.00 0.00 179.01 180.43 2g35 h GLN 83 N -1.00 0.13 -0.77 1.92 4.20 -1.55 0.96 115.11 119.01 2g35 h GLN 83 Ca -0.00 -0.01 0.22 0.00 0.06 0.00 0.00 58.65 58.93 2g35 h GLN 83 Cb 0.18 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2g35 h GLN 83 CO 0.00 0.09 0.59 0.82 -0.67 0.00 0.00 178.83 179.66 2g35 h ILE 84 N 0.14 0.53 0.02 2.54 2.04 -1.58 1.63 117.51 122.82 2g35 h ILE 84 Ca 0.22 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.83 2g35 h ILE 84 Cb 0.32 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2g35 h ILE 84 CO -0.35 0.00 -1.32 0.00 0.00 0.00 0.00 178.15 176.48 2g35 h ALA 85 N 1.54 0.48 0.17 1.87 0.00 0.86 -2.36 119.26 121.81 2g35 h ALA 85 Ca 0.37 -1.13 -0.30 0.00 0.00 0.00 0.00 54.91 53.86 2g35 h ALA 85 Cb 1.55 0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.48 2g35 h ALA 85 CO -0.00 1.34 -1.32 0.37 0.00 0.00 0.00 179.25 179.63 2g35 h GLN 86 N 0.01 0.36 -0.32 0.00 4.15 0.44 0.34 115.11 120.09 2g35 h GLN 86 Ca -0.14 -0.61 -0.17 0.00 0.77 0.00 0.00 58.65 58.50 2g35 h GLN 86 Cb 1.89 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 29.81 2g35 h GLN 86 CO 0.12 1.29 -0.45 1.25 -1.93 0.00 0.00 178.83 179.11 2g35 h LEU 87 N 0.10 0.95 -0.02 -2.39 5.85 0.18 -1.87 115.31 118.12 2g35 h LEU 87 Ca -0.17 -0.50 -0.07 0.00 0.84 0.00 0.00 57.88 57.97 2g35 h LEU 87 Cb 2.04 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.80 2g35 h LEU 87 CO 0.23 1.27 -0.28 0.40 -0.34 0.00 0.00 178.44 179.72 2g35 h ILE 88 N 0.66 1.51 0.00 4.05 2.04 -1.47 -2.91 117.51 121.39 2g35 h ILE 88 Ca 0.03 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.01 2g35 h ILE 88 Cb 1.06 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 2g35 h ILE 88 CO 0.11 0.52 0.05 0.00 0.00 0.00 0.00 178.15 178.83 2g35 h ALA 89 N 0.31 1.04 0.00 1.87 0.00 -0.32 0.25 119.26 122.40 2g35 h ALA 89 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2g35 h ALA 89 Cb 1.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2g35 h ALA 89 CO 0.06 -0.04 -1.21 0.78 0.00 0.00 0.00 179.25 178.83 2g35 h GLY 90 N 0.00 0.00 1.56 0.00 0.00 -1.15 -3.33 103.07 100.15 2g35 h GLY 90 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2g35 h GLY 90 CO 0.00 0.00 -0.57 -0.97 0.00 0.00 0.00 176.54 175.00 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.78 -3.28 116.97 118.56 2g35 h TYR 91 Ca -0.13 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 2g35 h TYR 91 Cb 1.59 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.32 2g35 h TYR 91 CO 0.00 0.15 -0.35 0.82 -1.05 0.00 0.00 178.16 177.73 2g35 h ILE 92 N 0.00 0.92 0.00 -2.88 2.04 -1.58 -2.63 117.51 113.39 2g35 h ILE 92 Ca -0.02 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2g35 h ILE 92 Cb 1.13 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2g35 h ILE 92 CO 0.02 0.34 -0.45 0.44 0.00 0.00 0.00 178.15 178.50 2g35 h ASP 93 N 0.00 0.00 0.99 1.72 5.19 -1.71 -3.14 116.42 119.47 2g35 h ASP 93 Ca -0.00 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.25 2g35 h ASP 93 Cb 0.78 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 2g35 h ASP 93 CO 0.05 0.01 -1.08 0.40 -3.12 0.00 0.00 179.24 175.50 2g35 h ILE 94 N 0.00 0.59 0.09 0.35 2.04 -1.57 -3.12 117.51 115.88 2g35 h ILE 94 Ca 0.00 -2.00 -0.28 0.00 1.00 0.00 0.00 64.86 63.57 2g35 h ILE 94 Cb 0.96 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2g35 h ILE 94 CO 0.00 0.34 -1.42 0.16 0.00 0.00 0.00 178.15 177.23 2g35 h ILE 95 N 0.00 1.27 0.00 -0.67 3.07 -1.56 -3.10 117.51 116.52 2g35 h ILE 95 Ca -0.10 -2.93 -0.02 0.00 1.55 0.00 0.00 64.86 63.36 2g35 h ILE 95 Cb 1.48 2.77 -0.00 0.00 -0.27 0.00 0.00 36.82 40.79 2g35 h ILE 95 CO 0.05 0.82 -0.11 -0.07 -1.05 0.00 0.00 178.15 177.79 2g35 h LEU 96 N 0.05 0.00 0.07 0.16 3.38 -1.66 -2.86 115.31 114.45 2g35 h LEU 96 Ca -0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2g35 h LEU 96 Cb 1.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.73 2g35 h LEU 96 CO 0.16 0.11 -0.44 0.50 0.09 0.00 0.00 178.44 178.85 2g35 h LYS 97 N 0.00 0.15 -0.37 1.13 3.64 -1.58 -2.45 116.57 117.09 2g35 h LYS 97 Ca -0.00 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 2g35 h LYS 97 Cb 0.78 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2g35 h LYS 97 CO 0.01 1.12 0.08 -0.22 -2.27 0.00 0.00 179.45 178.18 2g35 h LYS 98 N -0.68 0.60 0.00 1.90 3.11 -1.57 -2.25 116.57 117.68 2g35 h LYS 98 Ca -0.08 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 2g35 h LYS 98 Cb 1.33 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 2g35 h LYS 98 CO 0.07 0.65 0.00 0.36 -2.81 0.00 0.00 179.45 177.72 2g35 n LYS 99 N -4.58 0.40 -0.37 1.90 2.85 -1.08 -5.13 118.16 112.15 2g35 n LYS 99 Ca -0.01 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2g35 n LYS 99 Cb 0.21 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 2g35 n LYS 99 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52