#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 0.39 -2.70 3.23 4.01 -1.26 -3.50 118.16 118.34 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 -1.46 0.09 0.00 -0.51 0.00 0.00 35.03 33.14 2g35 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2g35 n THR 3 N -0.96 0.00 -3.92 -0.18 -1.04 -1.26 -4.76 114.28 102.15 2g35 n THR 3 Ca 0.09 -1.17 -0.35 0.00 -2.04 0.00 0.00 64.05 60.58 2g35 n THR 3 Cb 0.04 1.14 -0.09 0.00 -1.82 0.00 0.00 70.33 69.60 2g35 n THR 3 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2g35 s TYR 4 N 0.16 3.29 0.00 -1.42 6.14 -1.23 -4.21 117.35 120.09 2g35 s TYR 4 Ca 0.19 0.13 0.00 0.00 0.64 0.00 0.00 57.07 58.03 2g35 s TYR 4 Cb 0.28 -2.11 0.00 0.00 0.42 0.00 0.00 41.96 40.56 2g35 s TYR 4 CO -0.09 0.18 0.00 0.41 0.64 0.00 0.00 175.55 176.69 2g35 n GLY 5 N 3.58 2.67 3.79 8.97 0.00 -1.26 -5.00 105.19 117.94 2g35 n GLY 5 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.01 4.66 -0.61 1.61 1.01 -1.26 -5.01 120.40 117.79 2g35 s VAL 6 Ca 0.00 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.11 2g35 s VAL 6 Cb 0.00 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.46 2g35 s VAL 6 CO 0.00 0.53 0.97 -0.94 0.00 0.00 0.00 175.10 175.65 2g35 s SER 7 N -0.99 6.25 -0.13 3.32 1.04 -1.26 -4.87 113.70 117.07 2g35 s SER 7 Ca 0.31 -0.64 -0.24 0.00 0.48 0.00 0.00 55.95 55.86 2g35 s SER 7 Cb -0.20 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 2g35 s SER 7 CO 0.21 -1.35 0.74 0.72 0.98 0.00 0.00 173.24 174.54 2g35 s PHE 8 N 4.09 3.49 -0.17 5.02 -0.12 -1.25 -2.54 117.98 126.49 2g35 s PHE 8 Ca 0.27 1.20 -0.04 0.00 -0.05 0.00 0.00 56.93 58.31 2g35 s PHE 8 Cb -0.14 -2.89 -0.03 0.00 -0.63 0.00 0.00 43.02 39.33 2g35 s PHE 8 CO 0.15 -0.08 -0.02 -0.06 -0.05 0.00 0.00 175.22 175.16 2g35 s PHE 9 N 1.49 3.05 -0.32 3.49 0.40 -0.04 -4.74 117.98 121.31 2g35 s PHE 9 Ca 0.36 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 56.10 2g35 s PHE 9 Cb -0.17 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.37 2g35 s PHE 9 CO 0.15 -0.06 1.19 -1.17 0.70 0.00 0.00 175.22 176.02 2g35 s LEU 10 N 0.50 3.90 0.12 -0.37 0.20 -1.26 -1.29 118.68 120.48 2g35 s LEU 10 Ca -0.02 1.11 0.07 0.00 0.69 0.00 0.00 54.13 55.98 2g35 s LEU 10 Cb -0.14 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 2g35 s LEU 10 CO 0.02 -0.99 -0.18 0.68 -0.29 0.00 0.00 176.35 175.59 2g35 s VAL 11 N 4.03 1.59 -0.01 1.68 -7.23 0.91 -4.86 120.40 116.51 2g35 s VAL 11 Ca 0.51 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2g35 s VAL 11 Cb -0.14 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2g35 s VAL 11 CO 0.20 -0.21 0.00 -0.54 -0.31 0.00 0.00 175.10 174.24 2g35 s LYS 12 N -2.25 2.82 0.28 4.82 1.02 -1.16 0.10 119.74 125.37 2g35 s LYS 12 Ca 0.08 -0.58 0.11 0.00 0.02 0.00 0.00 55.97 55.60 2g35 s LYS 12 Cb -0.08 -2.69 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2g35 s LYS 12 CO 0.04 0.64 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.80 2g35 s GLU 13 N -1.47 1.97 -0.32 1.68 2.02 0.87 -1.15 118.70 122.30 2g35 s GLU 13 Ca 0.19 -1.63 -0.08 0.00 0.02 0.00 0.00 54.97 53.46 2g35 s GLU 13 Cb -0.11 -1.94 0.01 0.00 0.10 0.00 0.00 34.13 32.19 2g35 s GLU 13 CO 0.09 0.32 0.13 0.15 0.02 0.00 0.00 175.26 175.96 2g35 s LYS 14 N -3.60 3.06 0.59 1.61 3.01 -1.26 0.71 119.74 123.86 2g35 s LYS 14 Ca 0.31 -0.89 -0.18 0.00 -1.01 0.00 0.00 55.97 54.20 2g35 s LYS 14 Cb -0.05 -3.50 -0.04 0.00 -1.01 0.00 0.00 37.83 33.23 2g35 s LYS 14 CO 0.17 -0.50 1.12 -1.64 0.51 0.00 0.00 175.35 175.01 2g35 s MET 15 N 1.53 3.15 0.00 1.68 -1.94 -1.26 -4.82 119.30 117.64 2g35 s MET 15 Ca 0.03 1.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.53 2g35 s MET 15 Cb -0.18 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.68 2g35 s MET 15 CO 0.04 -1.00 0.00 1.63 -0.01 0.00 0.00 175.02 175.69 2g35 n LYS 16 N -1.72 0.00 0.00 2.03 4.01 -1.26 -2.53 118.16 118.69 2g35 n LYS 16 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 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 -0.08 1.00 3.66 0.72 0.00 -1.26 -5.08 105.19 104.15 2g35 n GLY 17 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 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 1.43 0.00 1.61 4.76 -1.05 -4.69 118.16 120.21 2g35 n LYS 18 Ca 0.00 0.52 0.01 0.00 -2.87 0.00 0.00 58.31 55.97 2g35 n LYS 18 Cb 0.12 -2.22 0.04 0.00 -1.84 0.00 0.00 35.03 31.13 2g35 n LYS 18 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2g35 n ASN 19 N 4.34 0.00 -2.88 4.39 5.15 -1.26 -4.51 115.26 120.50 2g35 n ASN 19 Ca 0.22 0.32 -0.13 0.00 -0.60 0.00 0.00 54.58 54.40 2g35 n ASN 19 Cb 0.19 -0.34 0.10 0.00 -0.53 0.00 0.00 39.78 39.20 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 -1.34 -1.27 -4.07 1.20 3.00 -1.26 -5.08 118.16 109.34 2g35 n LYS 20 Ca 0.01 -0.80 -0.07 0.00 -0.00 0.00 0.00 58.31 57.44 2g35 n LYS 20 Cb 0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 35.03 34.30 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 2.44 -0.23 3.14 1.02 -1.26 -4.45 118.68 119.34 2g35 s LEU 21 Ca 0.31 -0.92 0.02 0.00 0.02 0.00 0.00 54.13 53.56 2g35 s LEU 21 Cb -0.02 0.20 0.05 0.00 0.02 0.00 0.00 46.19 46.44 2g35 s LEU 21 CO 0.23 -0.56 -0.11 -0.69 0.02 0.00 0.00 176.35 175.24 2g35 s VAL 22 N -3.55 1.86 0.62 -1.59 1.01 0.22 -4.86 120.40 114.11 2g35 s VAL 22 Ca 0.04 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 60.55 2g35 s VAL 22 Cb 0.05 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2g35 s VAL 22 CO -0.09 0.08 1.21 -2.65 0.00 0.00 0.00 175.10 173.66 2g35 n PRO 23 N 4.58 1.13 -3.69 2.72 -0.02 -1.26 -0.09 135.00 138.37 2g35 n PRO 23 Ca -0.15 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.63 2g35 n PRO 23 Cb 0.45 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 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 -3.13 0.68 -0.11 -0.52 6.06 0.28 -4.01 118.95 118.20 2g35 s ARG 24 Ca 0.79 0.36 -0.05 0.00 -2.50 0.00 0.00 55.73 54.34 2g35 s ARG 24 Cb -0.40 0.32 -0.04 0.00 0.06 0.00 0.00 34.95 34.90 2g35 s ARG 24 CO 0.43 -0.14 0.09 -0.51 -2.50 0.00 0.00 175.30 172.67 2g35 s LEU 25 N -0.43 4.12 -0.25 -0.88 1.43 0.40 -0.06 118.68 123.00 2g35 s LEU 25 Ca -0.06 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2g35 s LEU 25 Cb -0.03 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.26 2g35 s LEU 25 CO 0.03 0.40 -0.02 -0.22 0.23 0.00 0.00 176.35 176.77 2g35 s LEU 26 N -0.99 2.73 -0.14 1.79 2.96 -0.41 -1.14 118.68 123.47 2g35 s LEU 26 Ca 0.15 -1.32 -0.20 0.00 -0.22 0.00 0.00 54.13 52.54 2g35 s LEU 26 Cb -0.12 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 2g35 s LEU 26 CO 0.04 -0.27 0.56 -0.83 -1.32 0.00 0.00 176.35 174.53 2g35 s GLY 27 N 1.38 2.31 -0.35 7.98 0.00 -1.09 -0.86 107.32 116.69 2g35 s GLY 27 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.41 2g35 s GLY 27 CO -0.08 1.02 0.19 -0.42 0.00 0.00 0.00 173.10 173.81 2g35 s ILE 28 N 1.10 4.61 0.59 0.90 -1.09 -1.05 -0.19 121.20 126.07 2g35 s ILE 28 Ca 0.29 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2g35 s ILE 28 Cb -0.16 -3.50 0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2g35 s ILE 28 CO 0.12 -0.13 0.84 -0.89 -1.23 0.00 0.00 174.94 173.65 2g35 s THR 29 N 1.58 2.69 -0.12 2.92 2.01 0.70 -4.04 115.64 121.38 2g35 s THR 29 Ca 0.03 -0.50 0.30 0.00 0.31 0.00 0.00 61.69 61.83 2g35 s THR 29 Cb -0.18 -3.06 0.34 0.00 0.01 0.00 0.00 72.50 69.61 2g35 s THR 29 CO 0.07 -0.05 1.88 0.07 -0.69 0.00 0.00 174.62 175.90 2g35 h LYS 30 N -0.12 0.00 0.00 4.92 2.10 -1.97 -3.20 116.57 118.30 2g35 h LYS 30 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2g35 h LYS 30 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2g35 h LYS 30 CO 0.55 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.39 2g35 n GLU 31 N -2.80 0.89 -3.58 0.07 -0.58 -1.26 -4.85 120.64 108.54 2g35 n GLU 31 Ca 0.01 -0.78 -0.05 0.00 -0.42 0.00 0.00 57.16 55.93 2g35 n GLU 31 Cb 0.29 -0.67 -0.02 0.00 -0.57 0.00 0.00 31.44 30.47 2g35 n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2g35 s VAL 33 N -2.68 2.87 0.11 0.00 1.01 0.05 0.25 120.40 122.02 2g35 s VAL 33 Ca 0.09 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.16 2g35 s VAL 33 Cb -0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2g35 s VAL 33 CO -0.05 0.44 -0.25 0.00 0.00 0.00 0.00 175.10 175.23 2g35 s MET 34 N -1.15 1.38 -0.34 2.72 0.23 0.73 0.41 119.30 123.28 2g35 s MET 34 Ca 0.13 -1.28 -0.19 0.00 -1.03 0.00 0.00 55.69 53.33 2g35 s MET 34 Cb -0.11 -1.79 -0.00 0.00 -1.53 0.00 0.00 34.83 31.40 2g35 s MET 34 CO 0.03 0.43 0.55 1.03 -2.03 0.00 0.00 175.02 175.03 2g35 s ARG 35 N -1.93 3.69 -0.19 3.16 0.52 0.25 -2.65 118.95 121.80 2g35 s ARG 35 Ca 0.12 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 2g35 s ARG 35 Cb -0.10 -3.79 0.03 0.00 0.52 0.00 0.00 34.95 31.61 2g35 s ARG 35 CO 0.05 -0.64 -0.18 0.08 0.02 0.00 0.00 175.30 174.63 2g35 s VAL 36 N 2.47 2.01 0.53 3.52 1.01 -0.29 0.24 120.40 129.89 2g35 s VAL 36 Ca 0.21 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2g35 s VAL 36 Cb -0.15 -1.86 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 2g35 s VAL 36 CO 0.13 0.46 1.19 -0.62 0.00 0.00 0.00 175.10 176.26 2g35 s ASP 37 N 1.29 5.71 0.19 3.32 -1.08 -0.64 0.15 116.67 125.61 2g35 s ASP 37 Ca 0.03 2.34 0.21 0.00 -0.52 0.00 0.00 52.55 54.61 2g35 s ASP 37 Cb -0.14 -2.60 -0.01 0.00 -1.46 0.00 0.00 42.92 38.72 2g35 s ASP 37 CO -0.12 -1.24 1.04 -0.08 0.52 0.00 0.00 175.17 175.30 2g35 h GLU 38 N 1.46 0.00 0.03 4.34 4.22 -1.86 0.17 114.58 122.95 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 30.52 2g35 h GLU 38 CO 0.58 0.07 -0.02 -0.22 -2.18 0.00 0.00 179.01 177.24 2g35 h LYS 39 N 0.00 -0.04 -0.02 1.92 3.64 -1.91 -3.34 116.57 116.83 2g35 h LYS 39 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2g35 h LYS 39 Cb 1.13 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2g35 h LYS 39 CO 0.01 0.53 -0.20 0.25 -2.27 0.00 0.00 179.45 177.76 2g35 n THR 40 N -4.83 0.00 -1.69 1.00 -2.24 -1.26 -4.95 114.28 100.32 2g35 n THR 40 Ca -0.09 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 2g35 n THR 40 Cb 0.30 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.32 -1.59 -3.96 -0.78 5.02 0.61 -4.90 118.16 112.88 2g35 n LYS 41 Ca 0.08 0.63 -0.24 0.00 -2.02 0.00 0.00 58.31 56.76 2g35 n LYS 41 Cb 0.38 -4.96 -0.03 0.00 -0.02 0.00 0.00 35.03 30.40 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 -3.63 3.43 -0.18 1.97 2.56 -1.24 -4.81 118.70 116.79 2g35 s GLU 42 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 54.97 54.04 2g35 s GLU 42 Cb 0.00 -2.93 -0.01 0.00 2.00 0.00 0.00 34.13 33.19 2g35 s GLU 42 CO 0.00 0.49 0.91 0.08 -0.56 0.00 0.00 175.26 176.18 2g35 s VAL 43 N -1.83 4.81 -0.15 3.70 1.01 -1.26 -1.62 120.40 125.06 2g35 s VAL 43 Ca 0.34 1.79 0.18 0.00 0.00 0.00 0.00 61.98 64.29 2g35 s VAL 43 Cb -0.10 -4.21 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 2g35 s VAL 43 CO 0.29 -0.04 0.26 -0.38 0.00 0.00 0.00 175.10 175.22 2g35 n ILE 44 N 4.92 1.19 -3.68 2.22 2.08 0.67 -4.96 119.36 121.80 2g35 n ILE 44 Ca 0.07 -0.79 -0.08 0.00 0.56 0.00 0.00 62.75 62.51 2g35 n ILE 44 Cb 0.48 -0.48 -0.02 0.00 -0.75 0.00 0.00 39.64 38.87 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 -2.69 1.46 0.07 0.38 0.74 -1.15 -4.91 119.66 113.55 2g35 s GLN 45 Ca -0.09 -0.72 0.04 0.00 0.05 0.00 0.00 55.36 54.64 2g35 s GLN 45 Cb 0.08 0.56 -0.03 0.00 1.10 0.00 0.00 33.01 34.71 2g35 s GLN 45 CO 0.84 -0.66 -0.12 -1.21 -0.55 0.00 0.00 175.29 173.59 2g35 s GLU 46 N -3.71 0.75 0.04 1.67 2.02 -1.26 0.84 118.70 119.04 2g35 s GLU 46 Ca 0.08 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.11 2g35 s GLU 46 Cb -0.03 -0.62 -0.03 0.00 0.10 0.00 0.00 34.13 33.55 2g35 s GLU 46 CO -0.01 0.12 -0.04 -1.58 0.02 0.00 0.00 175.26 173.77 2g35 s TRP 47 N -1.57 0.43 0.17 1.61 0.51 0.17 -4.95 118.94 115.30 2g35 s TRP 47 Ca -0.02 -0.72 -0.21 0.00 -2.12 0.00 0.00 56.10 53.03 2g35 s TRP 47 Cb -0.08 -0.30 -0.08 0.00 -0.81 0.00 0.00 33.47 32.20 2g35 s TRP 47 CO 0.01 -0.24 0.69 -1.12 -0.51 0.00 0.00 176.95 175.78 2g35 s SER 48 N -2.04 7.12 0.43 2.95 0.01 -1.26 -0.77 113.70 120.14 2g35 s SER 48 Ca -0.06 1.41 0.21 0.00 1.31 0.00 0.00 55.95 58.82 2g35 s SER 48 Cb -0.03 -2.41 0.98 0.00 0.21 0.00 0.00 66.02 64.77 2g35 s SER 48 CO -0.04 0.14 1.88 -0.07 0.41 0.00 0.00 173.24 175.57 2g35 h LEU 49 N 3.92 0.00 0.00 2.44 3.38 -1.63 -1.72 115.31 121.69 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 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2g35 h LEU 49 CO 0.65 0.27 0.00 0.41 0.09 0.00 0.00 178.44 179.86 2g35 n THR 50 N -3.70 0.14 0.01 0.22 -1.04 -1.26 -3.12 114.28 105.53 2g35 n THR 50 Ca -0.01 0.03 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 2g35 n THR 50 Cb 0.38 -0.60 -0.14 0.00 -1.82 0.00 0.00 70.33 68.15 2g35 n THR 50 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2g35 h ASN 51 N 0.00 0.18 -2.25 8.00 -0.26 -1.68 -3.46 115.58 116.11 2g35 h ASN 51 Ca 0.00 -0.33 -0.58 0.00 -0.56 0.00 0.00 56.30 54.83 2g35 h ASN 51 Cb 0.21 -0.06 0.04 0.00 -1.06 0.00 0.00 38.32 37.45 2g35 h ASN 51 CO 0.00 1.29 0.96 -0.38 -1.06 0.00 0.00 177.43 178.24 2g35 n ILE 52 N -3.26 0.25 -0.12 2.81 5.41 -1.18 -4.42 119.36 118.84 2g35 n ILE 52 Ca -0.19 -0.04 -0.26 0.00 1.00 0.00 0.00 62.75 63.26 2g35 n ILE 52 Cb 1.04 -1.77 -0.10 0.00 -0.71 0.00 0.00 39.64 38.10 2g35 n ILE 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2g35 n LYS 53 N 4.83 0.58 -4.03 0.38 4.81 0.41 -4.96 118.16 120.17 2g35 n LYS 53 Ca 0.19 0.38 -0.13 0.00 -0.87 0.00 0.00 58.31 57.88 2g35 n LYS 53 Cb 0.31 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.74 2g35 n LYS 53 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2g35 s ARG 54 N -2.46 1.88 0.29 1.64 1.70 -1.24 -4.98 118.95 115.78 2g35 s ARG 54 Ca -0.35 -1.61 -0.19 0.00 -0.47 0.00 0.00 55.73 53.12 2g35 s ARG 54 Cb 0.11 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.99 2g35 s ARG 54 CO 0.52 -0.80 0.68 1.67 -1.08 0.00 0.00 175.30 176.30 2g35 s TRP 55 N -3.14 -0.03 -0.15 5.89 -2.14 -1.26 -1.45 118.94 116.66 2g35 s TRP 55 Ca 0.27 -0.44 -0.05 0.00 2.66 0.00 0.00 56.10 58.54 2g35 s TRP 55 Cb -0.01 0.63 0.08 0.00 -3.10 0.00 0.00 33.47 31.06 2g35 s TRP 55 CO 0.17 -1.24 0.30 0.00 -2.66 0.00 0.00 176.95 173.51 2g35 s ALA 56 N -3.70 -0.69 -0.45 2.67 0.00 -0.59 -4.95 121.76 114.05 2g35 s ALA 56 Ca 0.14 1.00 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 2g35 s ALA 56 Cb -0.05 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 21.99 2g35 s ALA 56 CO 0.08 -0.74 0.40 0.00 0.00 0.00 0.00 175.76 175.50 2g35 s ALA 57 N 2.46 3.51 0.27 0.00 0.00 -1.26 -1.72 121.76 125.02 2g35 s ALA 57 Ca 0.02 -1.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.04 2g35 s ALA 57 Cb -0.12 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 2g35 s ALA 57 CO -0.10 -1.67 0.51 -1.12 0.00 0.00 0.00 175.76 173.38 2g35 s SER 58 N 2.27 6.41 0.00 0.00 0.01 0.21 -4.77 113.70 117.83 2g35 s SER 58 Ca 0.06 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2g35 s SER 58 Cb -0.22 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2g35 s SER 58 CO 0.09 -0.17 0.32 -0.81 0.41 0.00 0.00 173.24 173.07 2g35 n PRO 59 N -0.98 0.00 0.00 12.44 -0.04 -1.26 -2.35 135.00 142.81 2g35 n PRO 59 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2g35 n PRO 59 Cb 0.54 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.80 2.21 -4.04 0.54 2.85 -1.20 -4.70 118.16 113.02 2g35 n LYS 60 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2g35 n LYS 60 Cb 0.00 -0.18 -0.09 0.00 -0.65 0.00 0.00 35.03 34.11 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 0.00 0.27 -0.00 -5.58 1.04 -0.99 0.27 113.70 108.70 2g35 s SER 61 Ca 0.00 -0.98 0.04 0.00 0.48 0.00 0.00 55.95 55.50 2g35 s SER 61 Cb 0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 2g35 s SER 61 CO 0.00 -0.73 -0.14 0.12 0.98 0.00 0.00 173.24 173.47 2g35 s PHE 62 N -3.96 1.27 0.04 5.02 5.36 -0.54 0.68 117.98 125.84 2g35 s PHE 62 Ca 0.15 -0.26 0.02 0.00 -0.96 0.00 0.00 56.93 55.88 2g35 s PHE 62 Cb 0.06 -0.81 -0.02 0.00 -0.34 0.00 0.00 43.02 41.91 2g35 s PHE 62 CO -0.04 -0.01 -0.08 0.99 -1.46 0.00 0.00 175.22 174.62 2g35 s THR 63 N -0.42 0.58 0.03 0.12 2.01 -0.70 -1.93 115.64 115.33 2g35 s THR 63 Ca 0.05 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 60.97 2g35 s THR 63 Cb -0.06 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 2g35 s THR 63 CO -0.00 -0.32 0.10 -1.48 -0.69 0.00 0.00 174.62 172.23 2g35 s LEU 64 N -1.46 1.77 -0.09 4.42 0.05 -0.77 -1.54 118.68 121.06 2g35 s LEU 64 Ca -0.08 -0.48 0.01 0.00 0.05 0.00 0.00 54.13 53.63 2g35 s LEU 64 Cb -0.09 0.61 0.02 0.00 -2.05 0.00 0.00 46.19 44.67 2g35 s LEU 64 CO 0.01 -0.48 -0.10 -1.81 -0.55 0.00 0.00 176.35 173.41 2g35 s ASP 65 N -2.00 1.97 0.00 1.48 1.11 -0.53 -2.29 116.67 116.41 2g35 s ASP 65 Ca -0.07 -0.31 0.26 0.00 0.18 0.00 0.00 52.55 52.62 2g35 s ASP 65 Cb -0.02 -0.84 0.73 0.00 1.07 0.00 0.00 42.92 43.85 2g35 s ASP 65 CO -0.04 -0.03 1.56 0.49 1.18 0.00 0.00 175.17 178.33 2g35 n PHE 66 N 4.31 0.04 -0.45 4.23 3.72 -1.26 0.15 117.46 128.20 2g35 n PHE 66 Ca -0.19 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 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 1.24 1.20 3.55 1.37 0.00 -1.26 -4.73 105.19 106.56 2g35 n GLY 67 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2g35 n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2g35 s ASP 68 N -3.10 5.74 0.22 1.61 1.47 -1.26 -4.83 116.67 116.52 2g35 s ASP 68 Ca 0.00 0.04 -0.05 0.00 1.18 0.00 0.00 52.55 53.73 2g35 s ASP 68 Cb 0.00 -2.54 0.21 0.00 -0.34 0.00 0.00 42.92 40.25 2g35 s ASP 68 CO 0.00 -2.07 1.67 0.22 0.68 0.00 0.00 175.17 175.67 2g35 h TYR 69 N 12.49 0.92 0.01 2.11 3.20 -1.93 -0.31 116.97 133.46 2g35 h TYR 69 Ca -0.27 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 2g35 h TYR 69 Cb 1.11 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2g35 h TYR 69 CO 1.07 0.90 -0.01 -0.56 -1.64 0.00 0.00 178.16 177.93 2g35 h GLN 70 N 0.75 -0.02 -0.61 1.82 -0.00 -2.04 -3.22 115.11 111.79 2g35 h GLN 70 Ca 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.71 2g35 h GLN 70 Cb 0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.07 2g35 h GLN 70 CO 0.04 0.49 0.10 0.22 -0.00 0.00 0.00 178.83 179.68 2g35 h ASP 71 N -0.53 0.94 -4.78 0.06 1.82 -1.96 -3.49 116.42 108.48 2g35 h ASP 71 Ca -0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2g35 h ASP 71 Cb 0.51 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2g35 h ASP 71 CO 0.00 0.94 0.00 0.61 -1.61 0.00 0.00 179.24 179.18 2g35 n GLY 72 N -0.67 -3.59 3.94 -0.78 0.00 -0.13 -5.00 105.19 98.95 2g35 n GLY 72 Ca 0.04 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.83 1.84 -0.23 1.61 2.02 -1.26 -4.74 117.35 115.76 2g35 s TYR 73 Ca 0.00 0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.99 2g35 s TYR 73 Cb 0.00 -3.85 0.07 0.00 -0.40 0.00 0.00 41.96 37.78 2g35 s TYR 73 CO 0.00 -2.35 0.03 -0.47 -1.57 0.00 0.00 175.55 171.18 2g35 s TYR 74 N -3.72 1.51 0.08 2.71 5.04 -0.97 -5.02 117.35 116.98 2g35 s TYR 74 Ca 0.71 -1.27 0.07 0.00 -2.44 0.00 0.00 57.07 54.14 2g35 s TYR 74 Cb -0.05 -1.31 -0.03 0.00 0.35 0.00 0.00 41.96 40.92 2g35 s TYR 74 CO 0.51 -0.71 -0.19 0.45 -1.34 0.00 0.00 175.55 174.27 2g35 s SER 75 N 1.69 2.29 0.26 4.32 0.15 -1.26 -1.85 113.70 119.31 2g35 s SER 75 Ca -0.00 -0.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.90 2g35 s SER 75 Cb -0.18 -0.13 -0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2g35 s SER 75 CO -0.11 0.05 0.50 0.68 1.20 0.00 0.00 173.24 175.56 2g35 s VAL 76 N -1.09 0.00 0.26 4.45 -7.23 -0.81 -4.93 120.40 111.05 2g35 s VAL 76 Ca 0.05 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 2g35 s VAL 76 Cb -0.10 -2.28 -0.09 0.00 0.56 0.00 0.00 36.38 34.47 2g35 s VAL 76 CO 0.03 0.00 0.96 -1.10 -0.31 0.00 0.00 175.10 174.68 2g35 s GLN 77 N -3.83 4.78 -0.18 4.82 -0.21 -0.30 -1.47 119.66 123.26 2g35 s GLN 77 Ca 0.23 1.51 -0.07 0.00 0.02 0.00 0.00 55.36 57.04 2g35 s GLN 77 Cb -0.01 -3.19 0.08 0.00 1.00 0.00 0.00 33.01 30.90 2g35 s GLN 77 CO 0.10 0.43 0.40 0.95 -2.12 0.00 0.00 175.29 175.05 2g35 s THR 78 N -1.25 -0.53 0.42 -0.19 -4.23 0.75 -2.99 115.64 107.62 2g35 s THR 78 Ca 0.43 0.17 0.16 0.00 -1.18 0.00 0.00 61.69 61.28 2g35 s THR 78 Cb -0.26 -0.63 0.18 0.00 1.34 0.00 0.00 72.50 73.13 2g35 s THR 78 CO 0.32 0.07 1.96 0.74 -0.54 0.00 0.00 174.62 177.17 2g35 h THR 79 N 6.10 1.07 0.00 3.99 2.02 -1.85 -2.74 112.91 121.51 2g35 h THR 79 Ca -0.18 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2g35 h THR 79 Cb 1.12 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2g35 h THR 79 CO 0.15 0.22 0.00 -0.62 0.37 0.00 0.00 175.52 175.63 2g35 n GLU 80 N -4.14 0.00 0.00 6.66 -0.58 -1.26 -4.53 120.64 116.78 2g35 n GLU 80 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2g35 n GLU 80 Cb 0.29 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.80 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2g35 n GLY 81 N 2.04 0.73 0.29 0.62 0.00 -1.26 -4.55 105.19 103.06 2g35 n GLY 81 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.65 -0.60 1.61 4.81 -1.86 -2.05 114.58 115.84 2g35 h GLU 82 Ca 0.00 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.40 2g35 h GLU 82 Cb 0.00 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 2g35 h GLU 82 CO 0.00 -0.34 0.04 1.96 -0.73 0.00 0.00 179.01 179.94 2g35 h GLN 83 N -1.00 0.16 -0.72 1.92 4.20 -1.98 1.51 115.11 119.20 2g35 h GLN 83 Ca -0.07 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.82 2g35 h GLN 83 Cb 0.60 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 2g35 h GLN 83 CO 0.11 0.10 0.50 0.82 -0.67 0.00 0.00 178.83 179.70 2g35 h ILE 84 N 0.16 0.69 0.00 2.54 2.04 -1.89 1.19 117.51 122.23 2g35 h ILE 84 Ca 0.32 -0.04 -0.13 0.00 1.00 0.00 0.00 64.86 66.00 2g35 h ILE 84 Cb 0.50 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2g35 h ILE 84 CO -0.48 0.02 -0.92 0.00 0.00 0.00 0.00 178.15 176.78 2g35 h ALA 85 N 1.65 0.65 0.20 1.87 0.00 0.26 -2.53 119.26 121.35 2g35 h ALA 85 Ca 0.35 -0.63 -0.33 0.00 0.00 0.00 0.00 54.91 54.30 2g35 h ALA 85 Cb 1.19 0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.07 2g35 h ALA 85 CO -0.05 0.76 -1.53 0.37 0.00 0.00 0.00 179.25 178.81 2g35 h GLN 86 N 0.00 0.42 -0.27 0.00 4.15 0.56 0.11 115.11 120.07 2g35 h GLN 86 Ca -0.07 -0.71 -0.11 0.00 0.77 0.00 0.00 58.65 58.53 2g35 h GLN 86 Cb 1.48 0.26 -0.00 0.00 0.21 0.00 0.00 27.48 29.43 2g35 h GLN 86 CO 0.06 1.32 -0.26 1.25 -1.93 0.00 0.00 178.83 179.28 2g35 h LEU 87 N 0.11 0.70 -0.04 -2.39 5.85 0.95 -0.97 115.31 119.54 2g35 h LEU 87 Ca -0.26 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 57.98 2g35 h LEU 87 Cb 2.10 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.93 2g35 h LEU 87 CO 0.22 1.02 -0.02 0.40 -0.34 0.00 0.00 178.44 179.72 2g35 h ILE 88 N 0.39 1.35 0.00 4.05 2.04 -1.54 -1.69 117.51 122.11 2g35 h ILE 88 Ca 0.05 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2g35 h ILE 88 Cb 0.82 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2g35 h ILE 88 CO 0.06 0.29 0.05 0.00 0.00 0.00 0.00 178.15 178.55 2g35 h ALA 89 N 0.58 1.04 0.01 1.87 0.00 -0.74 -0.50 119.26 121.51 2g35 h ALA 89 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 2g35 h ALA 89 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2g35 h ALA 89 CO 0.01 -0.04 -1.67 0.78 0.00 0.00 0.00 179.25 178.33 2g35 h GLY 90 N 0.00 0.03 1.86 0.00 0.00 -0.54 -3.32 103.07 101.10 2g35 h GLY 90 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2g35 h GLY 90 CO 0.00 0.08 -0.36 -0.97 0.00 0.00 0.00 176.54 175.29 2g35 h TYR 91 N 0.01 0.00 0.00 5.60 0.05 -0.23 -3.23 116.97 119.17 2g35 h TYR 91 Ca -0.27 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.43 2g35 h TYR 91 Cb 2.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.73 2g35 h TYR 91 CO 0.01 0.23 -0.36 0.82 -1.05 0.00 0.00 178.16 177.81 2g35 h ILE 92 N 0.00 0.71 0.00 -2.88 2.04 -1.50 -3.01 117.51 112.87 2g35 h ILE 92 Ca -0.01 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2g35 h ILE 92 Cb 1.19 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2g35 h ILE 92 CO 0.03 0.35 -0.41 0.44 0.00 0.00 0.00 178.15 178.56 2g35 h ASP 93 N 0.00 0.00 1.09 1.72 3.32 -1.65 -3.20 116.42 117.69 2g35 h ASP 93 Ca -0.00 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 2g35 h ASP 93 Cb 1.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2g35 h ASP 93 CO 0.05 0.01 -0.96 0.40 -1.72 0.00 0.00 179.24 177.01 2g35 h ILE 94 N 0.00 0.41 0.03 0.35 2.04 -1.58 -3.18 117.51 115.58 2g35 h ILE 94 Ca 0.00 -1.70 -0.25 0.00 1.00 0.00 0.00 64.86 63.90 2g35 h ILE 94 Cb 0.97 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 2g35 h ILE 94 CO 0.00 0.23 -1.32 0.16 0.00 0.00 0.00 178.15 177.23 2g35 h ILE 95 N 0.00 1.35 0.00 -0.67 3.07 -1.60 -3.17 117.51 116.49 2g35 h ILE 95 Ca -0.07 -3.08 -0.03 0.00 1.55 0.00 0.00 64.86 63.23 2g35 h ILE 95 Cb 1.34 2.71 -0.00 0.00 -0.27 0.00 0.00 36.82 40.60 2g35 h ILE 95 CO 0.03 0.80 -0.12 -0.07 -1.05 0.00 0.00 178.15 177.74 2g35 h LEU 96 N 0.02 0.00 0.00 0.16 3.38 -1.66 -3.32 115.31 113.88 2g35 h LEU 96 Ca -0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2g35 h LEU 96 Cb 1.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 2g35 h LEU 96 CO 0.12 0.12 -0.08 0.50 0.09 0.00 0.00 178.44 179.20 2g35 h LYS 97 N 0.00 0.00 -0.92 1.13 3.64 -1.61 -3.25 116.57 115.57 2g35 h LYS 97 Ca -0.00 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.63 2g35 h LYS 97 Cb 0.99 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.67 2g35 h LYS 97 CO 0.02 0.64 0.35 0.87 -2.27 0.00 0.00 179.45 179.06 2g35 h LYS 98 N -1.00 0.27 0.00 1.90 1.79 -1.66 2.15 116.57 120.02 2g35 h LYS 98 Ca -0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2g35 h LYS 98 Cb 0.67 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2g35 h LYS 98 CO -0.01 0.18 0.00 0.36 -1.08 0.00 0.00 179.45 178.90 2g35 n LYS 99 N -5.14 0.33 0.00 3.15 2.85 -1.25 -5.15 118.16 112.95 2g35 n LYS 99 Ca 0.24 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 2g35 n LYS 99 Cb 0.75 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 2g35 n LYS 99 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52