#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 0.50 -2.69 3.23 4.01 -1.26 -3.54 118.16 118.41 2g35 n LYS 2 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.74 2g35 n LYS 2 Cb 0.00 -1.05 0.10 0.00 -0.51 0.00 0.00 35.03 33.57 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 -0.36 0.00 -3.78 -0.18 5.66 -1.26 -4.83 114.28 109.52 2g35 n THR 3 Ca 0.00 -0.99 -0.28 0.00 -3.05 0.00 0.00 64.05 59.73 2g35 n THR 3 Cb 0.02 1.24 -0.16 0.00 -1.55 0.00 0.00 70.33 69.88 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 0.19 1.32 0.00 1.09 6.14 -1.23 -4.73 117.35 120.13 2g35 s TYR 4 Ca 0.23 -1.04 0.00 0.00 0.64 0.00 0.00 57.07 56.90 2g35 s TYR 4 Cb 0.27 -1.14 0.00 0.00 0.42 0.00 0.00 41.96 41.51 2g35 s TYR 4 CO -0.14 -0.64 0.00 0.41 0.64 0.00 0.00 175.55 175.82 2g35 n GLY 5 N 4.97 1.06 3.71 8.97 0.00 -1.26 -4.99 105.19 117.65 2g35 n GLY 5 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.56 5.10 -0.27 1.61 1.01 -1.26 -4.87 120.40 118.17 2g35 s VAL 6 Ca 0.00 1.23 -0.20 0.00 0.00 0.00 0.00 61.98 63.01 2g35 s VAL 6 Cb 0.00 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2g35 s VAL 6 CO 0.00 0.27 0.60 -0.44 0.00 0.00 0.00 175.10 175.53 2g35 s SER 7 N 0.77 6.53 0.01 3.32 0.01 -1.18 -4.81 113.70 118.35 2g35 s SER 7 Ca 0.32 0.60 -0.14 0.00 1.31 0.00 0.00 55.95 58.04 2g35 s SER 7 Cb -0.16 -2.32 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 2g35 s SER 7 CO 0.14 -0.37 0.42 0.72 0.41 0.00 0.00 173.24 174.56 2g35 s PHE 8 N 2.48 3.72 -0.08 2.43 -0.12 -1.26 -0.95 117.98 124.20 2g35 s PHE 8 Ca 0.25 0.99 0.03 0.00 -0.05 0.00 0.00 56.93 58.15 2g35 s PHE 8 Cb -0.15 -2.29 0.01 0.00 -0.63 0.00 0.00 43.02 39.95 2g35 s PHE 8 CO 0.09 0.63 -0.18 -0.06 -0.05 0.00 0.00 175.22 175.64 2g35 s PHE 9 N -1.12 2.03 -0.61 3.49 0.40 -0.62 -4.79 117.98 116.75 2g35 s PHE 9 Ca 0.25 -0.79 -0.28 0.00 -0.60 0.00 0.00 56.93 55.51 2g35 s PHE 9 Cb -0.16 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 41.98 2g35 s PHE 9 CO 0.14 -0.34 1.37 -1.17 0.70 0.00 0.00 175.22 175.92 2g35 s LEU 10 N 0.47 3.35 0.16 -0.37 0.20 -1.26 -1.14 118.68 120.08 2g35 s LEU 10 Ca -0.16 0.09 0.09 0.00 0.69 0.00 0.00 54.13 54.83 2g35 s LEU 10 Cb -0.17 -2.93 -0.04 0.00 -0.43 0.00 0.00 46.19 42.63 2g35 s LEU 10 CO 0.06 -1.74 -0.13 0.68 -0.29 0.00 0.00 176.35 174.93 2g35 s VAL 11 N 5.98 3.07 0.01 1.68 -7.23 0.18 -4.88 120.40 119.20 2g35 s VAL 11 Ca 0.48 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 2g35 s VAL 11 Cb -0.10 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2g35 s VAL 11 CO 0.22 -0.03 0.01 -0.54 -0.31 0.00 0.00 175.10 174.46 2g35 s LYS 12 N -2.57 2.80 0.28 4.82 1.02 -1.00 0.13 119.74 125.23 2g35 s LYS 12 Ca 0.22 -0.62 0.10 0.00 0.02 0.00 0.00 55.97 55.69 2g35 s LYS 12 Cb -0.09 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2g35 s LYS 12 CO 0.13 0.62 -0.02 -1.21 -0.92 0.00 0.00 175.35 173.96 2g35 s GLU 13 N -1.66 2.19 -0.39 1.68 2.02 0.15 -0.61 118.70 122.08 2g35 s GLU 13 Ca 0.21 -1.52 -0.07 0.00 0.02 0.00 0.00 54.97 53.60 2g35 s GLU 13 Cb -0.12 -2.08 0.07 0.00 0.10 0.00 0.00 34.13 32.10 2g35 s GLU 13 CO 0.12 0.31 0.20 0.15 0.02 0.00 0.00 175.26 176.06 2g35 s LYS 14 N -3.67 2.54 0.59 1.61 3.01 -1.26 -0.06 119.74 122.49 2g35 s LYS 14 Ca 0.32 -1.41 -0.18 0.00 -1.01 0.00 0.00 55.97 53.69 2g35 s LYS 14 Cb -0.05 -3.65 -0.04 0.00 -1.01 0.00 0.00 37.83 33.09 2g35 s LYS 14 CO 0.19 -0.87 1.14 -1.64 0.51 0.00 0.00 175.35 174.68 2g35 s MET 15 N 1.38 3.11 0.00 1.68 -1.94 -1.26 -4.77 119.30 117.50 2g35 s MET 15 Ca 0.02 1.58 0.00 0.00 -1.71 0.00 0.00 55.69 55.58 2g35 s MET 15 Cb -0.22 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.65 2g35 s MET 15 CO 0.02 -1.04 0.00 1.63 -0.01 0.00 0.00 175.02 175.62 2g35 n LYS 16 N -1.70 0.00 0.00 2.03 4.01 -1.26 -1.98 118.16 119.26 2g35 n LYS 16 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2g35 n LYS 16 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 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 0.25 3.66 0.72 0.00 -1.26 -5.09 105.19 103.46 2g35 n GLY 17 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 2g35 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g35 n LYS 18 N 0.00 1.32 0.00 1.61 4.76 -0.84 -4.69 118.16 120.33 2g35 n LYS 18 Ca 0.00 0.48 0.01 0.00 -2.87 0.00 0.00 58.31 55.93 2g35 n LYS 18 Cb 0.35 -2.17 0.03 0.00 -1.84 0.00 0.00 35.03 31.40 2g35 n LYS 18 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2g35 n ASN 19 N 4.17 0.00 -2.87 4.39 6.94 -1.26 -4.54 115.26 122.08 2g35 n ASN 19 Ca 0.22 0.43 -0.13 0.00 -0.02 0.00 0.00 54.58 55.07 2g35 n ASN 19 Cb 0.18 -0.43 0.09 0.00 -2.36 0.00 0.00 39.78 37.26 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2g35 n LYS 20 N -1.43 -0.64 -4.10 -3.83 3.00 -1.26 -5.11 118.16 104.79 2g35 n LYS 20 Ca 0.00 -0.94 -0.08 0.00 -0.00 0.00 0.00 58.31 57.29 2g35 n LYS 20 Cb 0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 35.03 34.31 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 2.45 -0.21 3.14 1.43 -1.26 -4.59 118.68 119.64 2g35 s LEU 21 Ca 0.34 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2g35 s LEU 21 Cb -0.01 0.10 0.04 0.00 0.03 0.00 0.00 46.19 46.35 2g35 s LEU 21 CO 0.24 -0.51 -0.12 -0.69 0.23 0.00 0.00 176.35 175.50 2g35 s VAL 22 N -3.40 1.84 0.57 -1.59 1.01 0.91 -4.87 120.40 114.88 2g35 s VAL 22 Ca 0.04 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 2g35 s VAL 22 Cb 0.04 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2g35 s VAL 22 CO -0.07 0.18 1.19 -2.65 0.00 0.00 0.00 175.10 173.76 2g35 n PRO 23 N 4.61 1.30 -3.67 2.72 -0.02 -1.26 0.30 135.00 138.97 2g35 n PRO 23 Ca -0.16 0.49 -0.15 0.00 -2.02 0.00 0.00 63.50 61.66 2g35 n PRO 23 Cb 0.46 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 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 -2.87 0.77 -0.10 -0.52 6.06 0.35 -4.06 118.95 118.58 2g35 s ARG 24 Ca 0.74 0.19 -0.04 0.00 -2.50 0.00 0.00 55.73 54.13 2g35 s ARG 24 Cb -0.42 0.36 -0.04 0.00 0.06 0.00 0.00 34.95 34.91 2g35 s ARG 24 CO 0.47 -0.20 0.06 -0.51 -2.50 0.00 0.00 175.30 172.63 2g35 s LEU 25 N -0.85 3.93 -0.26 -0.88 1.43 0.75 0.47 118.68 123.27 2g35 s LEU 25 Ca -0.09 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2g35 s LEU 25 Cb -0.03 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.33 2g35 s LEU 25 CO 0.05 0.39 -0.06 -0.22 0.23 0.00 0.00 176.35 176.74 2g35 s LEU 26 N -0.95 3.29 -0.20 1.79 2.96 -0.29 0.10 118.68 125.38 2g35 s LEU 26 Ca 0.14 -1.44 -0.27 0.00 -0.22 0.00 0.00 54.13 52.34 2g35 s LEU 26 Cb -0.12 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.16 2g35 s LEU 26 CO 0.03 -0.24 0.93 -0.83 -1.32 0.00 0.00 176.35 174.91 2g35 s GLY 27 N 1.19 1.91 -0.37 7.98 0.00 -0.28 -1.59 107.32 116.17 2g35 s GLY 27 Ca -0.04 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.65 2g35 s GLY 27 CO -0.07 1.91 0.21 -0.42 0.00 0.00 0.00 173.10 174.74 2g35 s ILE 28 N 2.66 4.72 0.55 0.90 -1.09 -0.12 0.75 121.20 129.56 2g35 s ILE 28 Ca 0.41 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 2g35 s ILE 28 Cb -0.16 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.18 2g35 s ILE 28 CO 0.10 -0.18 0.76 -0.89 -1.23 0.00 0.00 174.94 173.50 2g35 s THR 29 N 1.59 2.65 -0.15 2.92 2.01 0.54 -3.11 115.64 122.08 2g35 s THR 29 Ca 0.03 -0.72 0.30 0.00 0.31 0.00 0.00 61.69 61.60 2g35 s THR 29 Cb -0.19 -2.92 0.34 0.00 0.01 0.00 0.00 72.50 69.74 2g35 s THR 29 CO 0.07 0.00 1.87 0.07 -0.69 0.00 0.00 174.62 175.94 2g35 h LYS 30 N 0.11 0.00 0.00 4.92 2.10 -1.98 -3.25 116.57 118.47 2g35 h LYS 30 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2g35 h LYS 30 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2g35 h LYS 30 CO 0.49 0.00 -0.13 0.39 -2.00 0.00 0.00 179.45 178.21 2g35 n GLU 31 N -2.81 0.40 -3.57 0.07 1.02 -1.26 -4.81 120.64 109.68 2g35 n GLU 31 Ca 0.02 -0.84 -0.06 0.00 -0.02 0.00 0.00 57.16 56.25 2g35 n GLU 31 Cb 0.31 -0.60 -0.02 0.00 -0.02 0.00 0.00 31.44 31.11 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 -2.90 2.00 0.07 0.00 1.01 0.11 0.20 120.40 120.89 2g35 s VAL 33 Ca 0.08 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.83 2g35 s VAL 33 Cb -0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2g35 s VAL 33 CO -0.06 0.36 -0.16 -0.04 0.00 0.00 0.00 175.10 175.20 2g35 s MET 34 N -1.11 0.95 -0.41 2.72 1.00 0.23 0.16 119.30 122.84 2g35 s MET 34 Ca 0.10 -0.95 -0.19 0.00 0.00 0.00 0.00 55.69 54.65 2g35 s MET 34 Cb -0.10 -1.02 0.01 0.00 0.00 0.00 0.00 34.83 33.72 2g35 s MET 34 CO 0.01 0.24 0.54 1.03 0.00 0.00 0.00 175.02 176.84 2g35 s ARG 35 N -1.59 3.33 -0.17 2.03 0.52 0.00 -1.13 118.95 121.94 2g35 s ARG 35 Ca 0.01 -0.43 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 2g35 s ARG 35 Cb -0.09 -3.91 -0.02 0.00 0.52 0.00 0.00 34.95 31.44 2g35 s ARG 35 CO 0.02 -0.85 -0.06 0.08 0.02 0.00 0.00 175.30 174.52 2g35 s VAL 36 N 2.48 3.57 0.50 3.52 1.01 0.29 0.28 120.40 132.06 2g35 s VAL 36 Ca 0.18 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 2g35 s VAL 36 Cb -0.15 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 2g35 s VAL 36 CO 0.16 0.47 1.16 -0.62 0.00 0.00 0.00 175.10 176.27 2g35 s ASP 37 N 0.73 5.93 0.21 3.32 -1.08 -0.45 0.27 116.67 125.60 2g35 s ASP 37 Ca -0.03 2.27 0.23 0.00 -0.52 0.00 0.00 52.55 54.50 2g35 s ASP 37 Cb -0.15 -2.59 0.03 0.00 -1.46 0.00 0.00 42.92 38.75 2g35 s ASP 37 CO 0.02 -1.08 1.08 -0.08 0.52 0.00 0.00 175.17 175.63 2g35 h GLU 38 N 1.65 0.00 0.08 4.34 4.22 -1.85 0.56 114.58 123.58 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 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2g35 h GLU 38 CO 0.59 0.00 -0.04 -0.22 -2.18 0.00 0.00 179.01 177.16 2g35 h LYS 39 N 0.00 -0.10 -0.02 1.92 3.64 -1.91 -3.35 116.57 116.75 2g35 h LYS 39 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2g35 h LYS 39 Cb 0.99 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2g35 h LYS 39 CO 0.00 0.44 -0.45 0.25 -2.27 0.00 0.00 179.45 177.42 2g35 n THR 40 N -4.81 0.00 -1.68 1.00 -2.24 -1.26 -4.94 114.28 100.36 2g35 n THR 40 Ca -0.07 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 2g35 n THR 40 Cb 0.29 1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.05 -1.53 -3.84 -0.78 5.02 0.19 -4.92 118.16 112.35 2g35 n LYS 41 Ca 0.09 0.76 -0.21 0.00 -2.02 0.00 0.00 58.31 56.93 2g35 n LYS 41 Cb 0.47 -5.11 -0.03 0.00 -0.02 0.00 0.00 35.03 30.35 2g35 n LYS 41 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2g35 s GLU 42 N -3.66 3.07 -0.21 1.97 2.56 -1.25 -4.82 118.70 116.36 2g35 s GLU 42 Ca 0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 54.97 53.67 2g35 s GLU 42 Cb 0.00 -2.70 0.00 0.00 2.00 0.00 0.00 34.13 33.43 2g35 s GLU 42 CO 0.00 0.25 1.00 0.08 -0.56 0.00 0.00 175.26 176.03 2g35 s VAL 43 N -2.14 4.72 -0.14 3.70 1.01 -1.26 -1.34 120.40 124.95 2g35 s VAL 43 Ca 0.38 1.95 0.16 0.00 0.00 0.00 0.00 61.98 64.47 2g35 s VAL 43 Cb -0.08 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 2g35 s VAL 43 CO 0.28 -0.13 0.29 -0.38 0.00 0.00 0.00 175.10 175.15 2g35 n ILE 44 N 5.18 1.47 -3.92 2.22 2.08 0.81 -4.93 119.36 122.26 2g35 n ILE 44 Ca 0.10 -0.83 -0.09 0.00 0.56 0.00 0.00 62.75 62.48 2g35 n ILE 44 Cb 0.47 -0.68 -0.06 0.00 -0.75 0.00 0.00 39.64 38.62 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 -2.53 1.28 0.00 0.38 2.00 -0.83 -4.89 119.66 115.07 2g35 s GLN 45 Ca -0.08 -1.13 0.01 0.00 -2.00 0.00 0.00 55.36 52.17 2g35 s GLN 45 Cb 0.07 0.42 -0.01 0.00 0.80 0.00 0.00 33.01 34.30 2g35 s GLN 45 CO 0.83 -0.50 -0.05 -1.21 -0.50 0.00 0.00 175.29 173.86 2g35 s GLU 46 N -3.96 0.38 0.04 1.67 2.02 -1.26 -0.82 118.70 116.76 2g35 s GLU 46 Ca 0.17 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.91 2g35 s GLU 46 Cb 0.02 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.89 2g35 s GLU 46 CO 0.01 0.08 -0.04 -1.58 0.02 0.00 0.00 175.26 173.76 2g35 s TRP 47 N -0.30 0.42 0.04 1.61 0.52 0.42 -4.94 118.94 116.71 2g35 s TRP 47 Ca -0.00 -0.71 -0.14 0.00 0.02 0.00 0.00 56.10 55.26 2g35 s TRP 47 Cb -0.03 -0.29 -0.06 0.00 -1.15 0.00 0.00 33.47 31.94 2g35 s TRP 47 CO -0.00 -0.23 0.44 -1.12 0.02 0.00 0.00 176.95 176.05 2g35 s SER 48 N -2.01 6.80 0.54 2.95 0.01 -1.26 0.07 113.70 120.79 2g35 s SER 48 Ca -0.07 0.97 0.31 0.00 1.31 0.00 0.00 55.95 58.47 2g35 s SER 48 Cb -0.04 -2.25 1.48 0.00 0.21 0.00 0.00 66.02 65.43 2g35 s SER 48 CO -0.04 0.26 2.06 -0.07 0.41 0.00 0.00 173.24 175.86 2g35 h LEU 49 N 4.33 0.00 -0.05 2.44 3.38 -1.70 -0.83 115.31 122.88 2g35 h LEU 49 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2g35 h LEU 49 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2g35 h LEU 49 CO 0.63 0.10 -0.03 0.35 0.09 0.00 0.00 178.44 179.58 2g35 n THR 50 N -3.41 0.00 -0.01 0.22 -2.24 -1.26 -3.43 114.28 104.15 2g35 n THR 50 Ca -0.01 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2g35 n THR 50 Cb 0.26 -0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 67.93 2g35 n THR 50 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2g35 n ASN 51 N -1.20 1.33 -4.67 3.42 5.03 -0.32 -4.85 115.26 113.99 2g35 n ASN 51 Ca 0.15 0.35 -0.45 0.00 0.87 0.00 0.00 54.58 55.50 2g35 n ASN 51 Cb 0.24 -0.36 -0.04 0.00 -1.02 0.00 0.00 39.78 38.60 2g35 n ASN 51 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2g35 n ILE 52 N -3.20 0.57 -0.08 2.41 5.41 -1.22 -4.39 119.36 118.85 2g35 n ILE 52 Ca -0.22 -0.10 -0.21 0.00 1.00 0.00 0.00 62.75 63.21 2g35 n ILE 52 Cb 1.05 -2.07 -0.12 0.00 -0.71 0.00 0.00 39.64 37.79 2g35 n ILE 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2g35 h LYS 53 N 9.38 0.05 -3.60 0.38 3.64 0.11 -3.48 116.57 123.05 2g35 h LYS 53 Ca -0.48 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 58.67 2g35 h LYS 53 Cb 1.25 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2g35 h LYS 53 CO 0.94 1.04 0.02 -0.98 -2.27 0.00 0.00 179.45 178.20 2g35 s ARG 54 N -2.39 2.02 0.29 1.90 1.70 -1.22 -4.99 118.95 116.25 2g35 s ARG 54 Ca -0.27 -1.57 -0.18 0.00 -0.47 0.00 0.00 55.73 53.24 2g35 s ARG 54 Cb 0.05 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.98 2g35 s ARG 54 CO 0.63 -0.89 0.67 1.67 -1.08 0.00 0.00 175.30 176.30 2g35 s TRP 55 N -2.84 -0.01 -0.21 5.89 -2.14 -1.26 -1.44 118.94 116.94 2g35 s TRP 55 Ca 0.23 -0.45 -0.04 0.00 2.66 0.00 0.00 56.10 58.50 2g35 s TRP 55 Cb -0.03 0.59 0.10 0.00 -3.10 0.00 0.00 33.47 31.04 2g35 s TRP 55 CO 0.16 -1.22 0.29 0.00 -2.66 0.00 0.00 176.95 173.52 2g35 s ALA 56 N -3.75 -0.63 -0.21 2.67 0.00 -0.52 -4.96 121.76 114.37 2g35 s ALA 56 Ca 0.14 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 2g35 s ALA 56 Cb -0.05 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 2g35 s ALA 56 CO 0.08 -1.15 0.18 0.00 0.00 0.00 0.00 175.76 174.88 2g35 s ALA 57 N 2.42 3.64 0.16 0.00 0.00 -1.26 -2.04 121.76 124.69 2g35 s ALA 57 Ca 0.08 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.41 2g35 s ALA 57 Cb -0.15 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 2g35 s ALA 57 CO -0.13 0.00 -0.16 -1.12 0.00 0.00 0.00 175.76 174.36 2g35 s SER 58 N 0.65 2.40 0.00 0.00 0.01 -0.46 -4.88 113.70 111.43 2g35 s SER 58 Ca 0.10 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2g35 s SER 58 Cb -0.12 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2g35 s SER 58 CO 0.02 -0.12 0.02 -0.81 0.41 0.00 0.00 173.24 172.76 2g35 n PRO 59 N 0.16 0.04 0.00 12.44 -0.04 -1.26 -2.56 135.00 143.78 2g35 n PRO 59 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2g35 n PRO 59 Cb 0.58 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.61 0.00 -4.03 0.54 2.85 -1.26 -4.87 118.16 112.00 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 0.01 -0.36 -0.07 0.00 -0.65 0.00 0.00 35.03 33.96 2g35 n LYS 60 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2g35 s SER 61 N -2.31 0.02 -0.01 -5.58 0.01 -1.06 -1.14 113.70 103.64 2g35 s SER 61 Ca 0.00 -1.02 0.07 0.00 1.31 0.00 0.00 55.95 56.31 2g35 s SER 61 Cb 0.00 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 2g35 s SER 61 CO 0.00 -0.97 -0.21 0.12 0.41 0.00 0.00 173.24 172.59 2g35 s PHE 62 N -4.03 1.91 0.03 2.43 5.36 -0.46 -1.35 117.98 121.87 2g35 s PHE 62 Ca 0.24 -0.36 0.05 0.00 -0.96 0.00 0.00 56.93 55.90 2g35 s PHE 62 Cb 0.03 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.47 2g35 s PHE 62 CO 0.06 -0.01 -0.14 0.99 -1.46 0.00 0.00 175.22 174.66 2g35 s THR 63 N -0.55 1.09 0.05 0.12 2.01 -0.86 -1.93 115.64 115.57 2g35 s THR 63 Ca 0.08 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.16 2g35 s THR 63 Cb -0.08 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2g35 s THR 63 CO -0.00 0.04 -0.06 -1.48 -0.69 0.00 0.00 174.62 172.43 2g35 s LEU 64 N -1.02 2.35 -0.07 4.42 2.34 -0.99 -1.44 118.68 124.27 2g35 s LEU 64 Ca 0.02 -0.72 0.01 0.00 0.06 0.00 0.00 54.13 53.50 2g35 s LEU 64 Cb -0.07 -0.02 0.02 0.00 -0.56 0.00 0.00 46.19 45.55 2g35 s LEU 64 CO 0.01 -0.35 -0.09 -1.81 -1.06 0.00 0.00 176.35 173.05 2g35 s ASP 65 N -2.11 1.68 0.00 1.48 1.11 -0.52 -2.40 116.67 115.91 2g35 s ASP 65 Ca -0.04 -0.25 0.26 0.00 0.18 0.00 0.00 52.55 52.70 2g35 s ASP 65 Cb -0.04 -0.72 1.20 0.00 1.07 0.00 0.00 42.92 44.43 2g35 s ASP 65 CO -0.03 -0.04 1.81 0.49 1.18 0.00 0.00 175.17 178.58 2g35 n PHE 66 N 4.24 0.05 -0.00 4.23 3.72 -1.26 0.15 117.46 128.59 2g35 n PHE 66 Ca -0.20 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2g35 n PHE 66 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.06 2.35 3.40 1.37 0.00 -1.26 -4.59 105.19 107.52 2g35 n GLY 67 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.57 6.81 0.26 1.61 1.01 -1.26 -4.88 116.67 116.65 2g35 s ASP 68 Ca 0.00 -2.54 -0.03 0.00 0.71 0.00 0.00 52.55 50.68 2g35 s ASP 68 Cb 0.00 -2.32 0.53 0.00 1.01 0.00 0.00 42.92 42.14 2g35 s ASP 68 CO 0.00 -0.78 1.66 0.22 0.21 0.00 0.00 175.17 176.47 2g35 h TYR 69 N 8.04 0.21 -0.51 4.23 3.20 -1.92 0.17 116.97 130.39 2g35 h TYR 69 Ca 0.17 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.19 2g35 h TYR 69 Cb 0.99 0.03 -0.10 0.00 1.54 0.00 0.00 36.73 39.20 2g35 h TYR 69 CO 1.08 -0.17 -0.16 -0.56 -1.64 0.00 0.00 178.16 176.70 2g35 h GLN 70 N 0.20 -0.04 -0.18 1.82 3.07 -2.03 0.53 115.11 118.48 2g35 h GLN 70 Ca 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.18 2g35 h GLN 70 Cb 0.84 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.40 2g35 h GLN 70 CO -0.60 -0.03 0.03 0.22 0.09 0.00 0.00 178.83 178.54 2g35 h ASP 71 N -0.04 0.23 -4.27 0.06 1.82 -1.12 -3.48 116.42 109.62 2g35 h ASP 71 Ca 0.24 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2g35 h ASP 71 Cb 0.41 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2g35 h ASP 71 CO -0.54 0.25 0.00 0.61 -1.61 0.00 0.00 179.24 177.95 2g35 n GLY 72 N -1.26 -1.28 3.80 -0.78 0.00 0.19 -4.97 105.19 100.89 2g35 n GLY 72 Ca -0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.88 2.64 -0.23 1.61 2.02 -1.26 -4.75 117.35 114.50 2g35 s TYR 73 Ca 0.00 0.94 -0.01 0.00 -0.37 0.00 0.00 57.07 57.63 2g35 s TYR 73 Cb 0.00 -3.31 0.07 0.00 -0.40 0.00 0.00 41.96 38.32 2g35 s TYR 73 CO 0.00 -2.15 0.03 -0.47 -1.57 0.00 0.00 175.55 171.39 2g35 s TYR 74 N -3.25 1.54 0.15 2.71 5.04 -1.01 -5.01 117.35 117.51 2g35 s TYR 74 Ca 0.63 -1.30 0.10 0.00 -2.44 0.00 0.00 57.07 54.05 2g35 s TYR 74 Cb -0.14 -1.34 -0.04 0.00 0.35 0.00 0.00 41.96 40.79 2g35 s TYR 74 CO 0.53 -0.72 -0.22 -1.54 -1.34 0.00 0.00 175.55 172.26 2g35 s SER 75 N 1.68 2.96 0.21 4.32 1.04 -1.26 -2.36 113.70 120.30 2g35 s SER 75 Ca 0.01 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.52 2g35 s SER 75 Cb -0.18 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2g35 s SER 75 CO -0.12 0.08 0.42 0.68 0.98 0.00 0.00 173.24 175.28 2g35 s VAL 76 N -1.48 0.02 0.09 5.02 -7.23 -0.81 -4.86 120.40 111.15 2g35 s VAL 76 Ca 0.14 -1.29 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 2g35 s VAL 76 Cb -0.08 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 2g35 s VAL 76 CO 0.07 -0.11 1.02 -1.10 -0.31 0.00 0.00 175.10 174.67 2g35 s GLN 77 N -3.98 4.61 -0.20 4.82 -1.52 0.22 -1.35 119.66 122.25 2g35 s GLN 77 Ca 0.19 1.53 -0.05 0.00 -1.95 0.00 0.00 55.36 55.08 2g35 s GLN 77 Cb 0.01 -3.38 0.10 0.00 -0.22 0.00 0.00 33.01 29.52 2g35 s GLN 77 CO 0.04 0.06 0.37 0.95 -0.25 0.00 0.00 175.29 176.46 2g35 s THR 78 N 0.37 -0.59 0.25 -0.19 -4.23 -0.29 -2.36 115.64 108.59 2g35 s THR 78 Ca 0.50 0.09 0.33 0.00 -1.18 0.00 0.00 61.69 61.43 2g35 s THR 78 Cb -0.24 -0.69 0.36 0.00 1.34 0.00 0.00 72.50 73.27 2g35 s THR 78 CO 0.30 -0.00 2.04 0.74 -0.54 0.00 0.00 174.62 177.15 2g35 h THR 79 N 6.20 0.18 -0.27 3.99 2.02 -1.90 -2.54 112.91 120.60 2g35 h THR 79 Ca -0.17 -0.53 -0.16 0.00 0.77 0.00 0.00 66.41 66.32 2g35 h THR 79 Cb 1.13 1.44 -0.10 0.00 -1.74 0.00 0.00 68.15 68.88 2g35 h THR 79 CO 0.18 0.05 -0.29 -0.62 0.37 0.00 0.00 175.52 175.22 2g35 n GLU 80 N -3.22 1.91 0.20 6.66 1.02 -1.26 -4.74 120.64 121.20 2g35 n GLU 80 Ca -0.00 -3.33 0.06 0.00 -0.02 0.00 0.00 57.16 53.87 2g35 n GLU 80 Cb 0.28 -1.79 0.32 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.12 0.00 0.12 0.62 0.00 -1.67 0.81 103.07 104.07 2g35 h GLY 81 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2g35 h GLY 81 CO 0.30 0.00 -0.05 -2.09 0.00 0.00 0.00 176.54 174.70 2g35 h GLU 82 N 0.00 -0.12 -0.57 4.80 4.81 -1.85 -2.80 114.58 118.85 2g35 h GLU 82 Ca 0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2g35 h GLU 82 Cb 0.91 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 2g35 h GLU 82 CO 0.00 0.12 0.16 1.96 -0.73 0.00 0.00 179.01 180.52 2g35 h GLN 83 N -1.01 0.31 -0.65 1.92 4.20 -1.25 1.09 115.11 119.72 2g35 h GLN 83 Ca -0.01 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.85 2g35 h GLN 83 Cb 0.30 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2g35 h GLN 83 CO 0.02 0.20 0.46 0.82 -0.67 0.00 0.00 178.83 179.66 2g35 h ILE 84 N 0.32 0.72 0.01 2.54 2.04 -1.47 2.00 117.51 123.67 2g35 h ILE 84 Ca 0.29 -0.04 -0.25 0.00 1.00 0.00 0.00 64.86 65.87 2g35 h ILE 84 Cb 0.39 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2g35 h ILE 84 CO -0.34 0.02 -1.30 0.00 0.00 0.00 0.00 178.15 176.54 2g35 h ALA 85 N 1.68 0.51 0.11 1.87 0.00 0.11 -2.13 119.26 121.41 2g35 h ALA 85 Ca 0.31 -1.13 -0.28 0.00 0.00 0.00 0.00 54.91 53.81 2g35 h ALA 85 Cb 1.08 0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.00 2g35 h ALA 85 CO -0.04 1.37 -1.20 0.37 0.00 0.00 0.00 179.25 179.75 2g35 h GLN 86 N 0.00 0.48 -0.43 0.00 4.15 0.53 0.87 115.11 120.72 2g35 h GLN 86 Ca -0.13 -0.67 -0.15 0.00 0.77 0.00 0.00 58.65 58.48 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 1.29 -0.31 1.25 -1.93 0.00 0.00 178.83 179.24 2g35 h LEU 87 N 0.20 1.01 0.13 -2.39 5.85 0.28 0.31 115.31 120.70 2g35 h LEU 87 Ca -0.16 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 2g35 h LEU 87 Cb 1.88 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.63 2g35 h LEU 87 CO 0.22 1.23 -0.06 0.40 -0.34 0.00 0.00 178.44 179.89 2g35 h ILE 88 N 0.80 0.93 0.00 4.05 2.04 -1.38 -2.22 117.51 121.74 2g35 h ILE 88 Ca 0.08 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2g35 h ILE 88 Cb 0.90 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2g35 h ILE 88 CO 0.08 0.25 0.15 0.00 0.00 0.00 0.00 178.15 178.64 2g35 h ALA 89 N -0.25 1.13 0.14 1.87 0.00 0.77 -0.25 119.26 122.66 2g35 h ALA 89 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 2g35 h ALA 89 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2g35 h ALA 89 CO 0.03 -0.13 -1.74 0.78 0.00 0.00 0.00 179.25 178.19 2g35 h GLY 90 N 0.00 0.34 1.76 0.00 0.00 -0.72 -3.32 103.07 101.12 2g35 h GLY 90 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 2g35 h GLY 90 CO 0.00 0.75 -0.50 -0.97 0.00 0.00 0.00 176.54 175.82 2g35 h TYR 91 N 0.08 0.32 0.00 5.60 0.05 -0.43 -2.63 116.97 119.95 2g35 h TYR 91 Ca -0.33 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.33 2g35 h TYR 91 Cb 2.05 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 39.73 2g35 h TYR 91 CO 0.08 0.71 -0.08 0.82 -1.05 0.00 0.00 178.16 178.63 2g35 h ILE 92 N 0.21 0.54 0.00 -2.88 2.04 -1.54 -1.49 117.51 114.39 2g35 h ILE 92 Ca 0.01 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 2g35 h ILE 92 Cb 0.96 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2g35 h ILE 92 CO 0.08 0.08 -0.84 -0.78 0.00 0.00 0.00 178.15 176.69 2g35 h ASP 93 N 0.00 0.00 0.95 1.72 1.82 -1.57 -3.11 116.42 116.23 2g35 h ASP 93 Ca -0.00 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.47 2g35 h ASP 93 Cb 0.23 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 2g35 h ASP 93 CO 0.01 0.37 -1.13 0.40 -1.61 0.00 0.00 179.24 177.28 2g35 h ILE 94 N 0.00 0.77 0.09 2.25 2.04 -1.17 -2.58 117.51 118.91 2g35 h ILE 94 Ca -0.06 -2.28 -0.28 0.00 1.00 0.00 0.00 64.86 63.24 2g35 h ILE 94 Cb 1.33 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 2g35 h ILE 94 CO 0.04 0.44 -1.40 0.16 0.00 0.00 0.00 178.15 177.39 2g35 h ILE 95 N 0.00 1.29 0.00 -0.67 3.07 -1.45 -3.18 117.51 116.57 2g35 h ILE 95 Ca -0.11 -2.95 -0.09 0.00 1.55 0.00 0.00 64.86 63.26 2g35 h ILE 95 Cb 1.59 2.78 -0.01 0.00 -0.27 0.00 0.00 36.82 40.91 2g35 h ILE 95 CO 0.06 0.83 -0.42 -0.07 -1.05 0.00 0.00 178.15 177.50 2g35 h LEU 96 N 0.05 0.00 -0.38 0.16 3.38 -1.66 -2.98 115.31 113.88 2g35 h LEU 96 Ca -0.19 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 2g35 h LEU 96 Cb 1.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.71 2g35 h LEU 96 CO 0.16 0.42 -0.61 0.50 0.09 0.00 0.00 178.44 179.00 2g35 h LYS 97 N 0.00 0.66 0.00 1.13 3.11 -1.52 -2.88 116.57 117.08 2g35 h LYS 97 Ca -0.00 -0.45 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2g35 h LYS 97 Cb 1.31 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.60 2g35 h LYS 97 CO 0.06 1.07 -0.05 1.63 -2.81 0.00 0.00 179.45 179.34 2g35 n LYS 98 N -3.95 0.21 0.11 1.90 4.76 -1.20 -3.17 118.16 116.81 2g35 n LYS 98 Ca -0.04 0.16 0.12 0.00 -2.87 0.00 0.00 58.31 55.68 2g35 n LYS 98 Cb 0.65 -1.73 0.28 0.00 -1.84 0.00 0.00 35.03 32.39 2g35 n LYS 98 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2g35 h LYS 99 N 0.00 0.00 0.00 1.97 1.79 -1.35 -3.52 116.57 115.47 2g35 h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2g35 h LYS 99 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2g35 h LYS 99 CO 0.00 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.73