#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 -1.35 -2.69 3.23 4.01 -1.26 -4.64 118.16 115.46 2g35 n LYS 2 Ca 0.00 0.40 -0.07 0.00 -0.51 0.00 0.00 58.31 58.13 2g35 n LYS 2 Cb 0.00 -4.34 0.06 0.00 -0.51 0.00 0.00 35.03 30.24 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 -1.34 0.69 -2.00 -0.18 5.66 -1.26 -4.87 114.28 110.98 2g35 n THR 3 Ca -0.06 -2.49 -0.26 0.00 -3.05 0.00 0.00 64.05 58.20 2g35 n THR 3 Cb 0.24 0.86 -0.06 0.00 -1.55 0.00 0.00 70.33 69.82 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 -2.10 1.78 -0.55 1.09 6.14 -1.26 -4.25 117.35 118.20 2g35 s TYR 4 Ca 0.25 0.75 -0.25 0.00 0.64 0.00 0.00 57.07 58.45 2g35 s TYR 4 Cb 0.43 -3.95 0.04 0.00 0.42 0.00 0.00 41.96 38.90 2g35 s TYR 4 CO -0.02 -1.47 0.65 0.41 0.64 0.00 0.00 175.55 175.76 2g35 n GLY 5 N 6.42 -0.43 3.13 8.97 0.00 -1.26 -4.98 105.19 117.04 2g35 n GLY 5 Ca 0.42 1.01 -0.23 0.00 0.00 0.00 0.00 46.02 47.23 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 -2.04 1.21 -0.35 1.61 1.01 -1.26 -5.01 120.40 115.56 2g35 s VAL 6 Ca 0.26 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 2g35 s VAL 6 Cb -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2g35 s VAL 6 CO 0.86 0.31 0.71 -0.55 0.00 0.00 0.00 175.10 176.43 2g35 s SER 7 N -0.46 6.50 0.53 3.32 0.15 -1.26 -4.86 113.70 117.62 2g35 s SER 7 Ca 0.06 0.28 -0.06 0.00 0.70 0.00 0.00 55.95 56.93 2g35 s SER 7 Cb -0.06 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 2g35 s SER 7 CO -0.00 -0.65 0.85 -0.36 1.20 0.00 0.00 173.24 174.27 2g35 s PHE 8 N 2.89 3.46 -0.05 3.44 0.08 -1.26 -1.88 117.98 124.67 2g35 s PHE 8 Ca 0.28 0.80 -0.02 0.00 0.12 0.00 0.00 56.93 58.11 2g35 s PHE 8 Cb -0.14 -2.48 0.04 0.00 -0.57 0.00 0.00 43.02 39.86 2g35 s PHE 8 CO 0.15 -0.50 0.10 -0.06 -0.10 0.00 0.00 175.22 174.82 2g35 s PHE 9 N -2.86 -0.08 -0.63 0.36 0.40 -0.90 -4.80 117.98 109.46 2g35 s PHE 9 Ca 0.50 0.34 -0.27 0.00 -0.60 0.00 0.00 56.93 56.90 2g35 s PHE 9 Cb -0.10 -0.17 0.02 0.00 0.51 0.00 0.00 43.02 43.27 2g35 s PHE 9 CO 0.46 -0.14 1.40 -1.17 0.70 0.00 0.00 175.22 176.46 2g35 s LEU 10 N 1.24 3.31 0.08 -0.37 2.96 -1.26 -2.05 118.68 122.58 2g35 s LEU 10 Ca -0.08 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 2g35 s LEU 10 Cb -0.12 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 2g35 s LEU 10 CO -0.05 -1.82 -0.19 0.68 -1.32 0.00 0.00 176.35 173.65 2g35 s VAL 11 N 6.22 2.73 0.01 1.68 -7.23 0.44 -4.79 120.40 119.46 2g35 s VAL 11 Ca 0.47 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2g35 s VAL 11 Cb -0.10 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2g35 s VAL 11 CO 0.21 0.22 0.03 -0.54 -0.31 0.00 0.00 175.10 174.71 2g35 s LYS 12 N -1.77 2.83 0.29 4.82 1.02 -1.04 0.52 119.74 126.42 2g35 s LYS 12 Ca 0.16 -0.61 0.11 0.00 0.02 0.00 0.00 55.97 55.65 2g35 s LYS 12 Cb -0.10 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 2g35 s LYS 12 CO 0.07 0.62 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.75 2g35 s GLU 13 N -1.75 1.78 -0.40 1.68 2.02 0.14 -0.59 118.70 121.57 2g35 s GLU 13 Ca 0.22 -1.75 -0.06 0.00 0.02 0.00 0.00 54.97 53.40 2g35 s GLU 13 Cb -0.12 -1.81 0.09 0.00 0.10 0.00 0.00 34.13 32.39 2g35 s GLU 13 CO 0.13 0.31 0.21 0.15 0.02 0.00 0.00 175.26 176.08 2g35 s LYS 14 N -3.55 2.34 0.62 1.61 -0.14 -1.26 0.10 119.74 119.47 2g35 s LYS 14 Ca 0.31 -1.59 -0.17 0.00 -1.36 0.00 0.00 55.97 53.16 2g35 s LYS 14 Cb -0.04 -3.64 -0.02 0.00 -1.68 0.00 0.00 37.83 32.45 2g35 s LYS 14 CO 0.16 -0.97 1.12 -1.64 -0.76 0.00 0.00 175.35 173.26 2g35 s MET 15 N 1.29 2.96 0.00 1.68 -1.94 -1.26 -4.88 119.30 117.15 2g35 s MET 15 Ca 0.04 1.48 0.00 0.00 -1.71 0.00 0.00 55.69 55.51 2g35 s MET 15 Cb -0.23 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.65 2g35 s MET 15 CO -0.01 -1.14 0.00 0.36 -0.01 0.00 0.00 175.02 174.22 2g35 n LYS 16 N -2.05 0.00 -0.78 2.03 -0.00 -1.26 -0.33 118.16 115.78 2g35 n LYS 16 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.28 2g35 n LYS 16 Cb 0.52 -0.07 0.13 0.00 -0.00 0.00 0.00 35.03 35.60 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 0.00 3.53 3.52 2.58 0.00 -1.26 -4.98 105.19 108.58 2g35 n GLY 17 Ca 0.00 -0.70 -0.54 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.50 0.47 0.01 1.61 0.00 0.55 -4.80 118.16 115.51 2g35 n LYS 18 Ca 0.37 0.17 0.11 0.00 -0.00 0.00 0.00 58.31 58.96 2g35 n LYS 18 Cb 1.23 -1.62 -0.04 0.00 -0.00 0.00 0.00 35.03 34.60 2g35 n LYS 18 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2g35 n ASN 19 N 1.88 0.67 -2.31 -5.58 5.15 -1.26 -4.92 115.26 108.89 2g35 n ASN 19 Ca 0.18 -0.51 -0.09 0.00 -0.60 0.00 0.00 54.58 53.57 2g35 n ASN 19 Cb 0.16 0.99 -0.02 0.00 -0.53 0.00 0.00 39.78 40.37 2g35 n ASN 19 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2g35 n LYS 20 N -1.76 0.88 -4.10 1.20 4.01 -1.26 -5.16 118.16 111.95 2g35 n LYS 20 Ca 0.02 -1.15 -0.24 0.00 -0.51 0.00 0.00 58.31 56.43 2g35 n LYS 20 Cb 0.40 0.60 -0.05 0.00 -0.51 0.00 0.00 35.03 35.47 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 3.79 -0.31 -0.35 1.43 -1.26 -4.64 118.68 117.34 2g35 s LEU 21 Ca 0.06 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2g35 s LEU 21 Cb 0.00 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.90 2g35 s LEU 21 CO 0.04 0.02 0.04 -0.69 0.23 0.00 0.00 176.35 176.00 2g35 s VAL 22 N -1.93 3.39 0.60 -1.59 1.01 0.12 -4.88 120.40 117.11 2g35 s VAL 22 Ca 0.32 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 2g35 s VAL 22 Cb -0.09 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2g35 s VAL 22 CO 0.24 -0.10 1.29 -2.65 0.00 0.00 0.00 175.10 173.88 2g35 n PRO 23 N 4.72 1.35 -3.65 2.72 -0.02 -1.26 0.23 135.00 139.09 2g35 n PRO 23 Ca -0.13 0.51 -0.15 0.00 -2.02 0.00 0.00 63.50 61.71 2g35 n PRO 23 Cb 0.45 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 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 -3.09 0.80 -0.08 -0.52 6.06 0.19 -4.16 118.95 118.14 2g35 s ARG 24 Ca 0.77 0.28 -0.03 0.00 -2.50 0.00 0.00 55.73 54.25 2g35 s ARG 24 Cb -0.40 0.37 -0.03 0.00 0.06 0.00 0.00 34.95 34.95 2g35 s ARG 24 CO 0.45 -0.20 0.03 -0.51 -2.50 0.00 0.00 175.30 172.57 2g35 s LEU 25 N -0.75 3.75 -0.24 -0.88 1.43 0.73 -0.42 118.68 122.31 2g35 s LEU 25 Ca -0.08 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2g35 s LEU 25 Cb -0.03 -1.91 0.07 0.00 0.03 0.00 0.00 46.19 44.35 2g35 s LEU 25 CO 0.05 0.37 -0.01 -0.22 0.23 0.00 0.00 176.35 176.77 2g35 s LEU 26 N -1.01 2.31 -0.08 1.79 2.96 -0.87 0.59 118.68 124.36 2g35 s LEU 26 Ca 0.15 -1.19 -0.26 0.00 -0.22 0.00 0.00 54.13 52.61 2g35 s LEU 26 Cb -0.12 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 2g35 s LEU 26 CO 0.04 -0.28 0.81 -0.83 -1.32 0.00 0.00 176.35 174.77 2g35 s GLY 27 N 1.50 2.53 -0.37 7.98 0.00 0.03 -2.11 107.32 116.89 2g35 s GLY 27 Ca -0.02 0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 2g35 s GLY 27 CO -0.09 1.45 0.23 -0.42 0.00 0.00 0.00 173.10 174.28 2g35 s ILE 28 N 1.26 4.90 0.34 0.90 -1.09 -0.79 0.28 121.20 127.00 2g35 s ILE 28 Ca 0.41 -0.64 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 2g35 s ILE 28 Cb -0.18 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2g35 s ILE 28 CO 0.19 -0.18 0.42 -0.89 -1.23 0.00 0.00 174.94 173.24 2g35 s THR 29 N 1.63 3.85 0.13 2.92 2.01 0.20 -4.10 115.64 122.27 2g35 s THR 29 Ca 0.04 -1.12 0.19 0.00 0.31 0.00 0.00 61.69 61.11 2g35 s THR 29 Cb -0.19 -3.32 0.14 0.00 0.01 0.00 0.00 72.50 69.14 2g35 s THR 29 CO 0.08 -0.15 1.71 0.07 -0.69 0.00 0.00 174.62 175.64 2g35 h LYS 30 N 0.99 0.00 -0.00 4.92 2.10 -1.96 -3.16 116.57 119.46 2g35 h LYS 30 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 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 0.54 0.37 -0.58 0.39 -2.00 0.00 0.00 179.45 178.17 2g35 n GLU 31 N -3.47 1.80 -3.62 0.07 1.02 -1.26 -4.79 120.64 110.40 2g35 n GLU 31 Ca 0.00 -0.32 -0.02 0.00 -0.02 0.00 0.00 57.16 56.80 2g35 n GLU 31 Cb 0.52 -1.25 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 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 5.07 -0.13 0.00 1.01 -0.12 0.61 120.40 124.25 2g35 s VAL 33 Ca 0.11 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 2g35 s VAL 33 Cb 0.02 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2g35 s VAL 33 CO -0.04 0.53 0.09 -0.04 0.00 0.00 0.00 175.10 175.64 2g35 s MET 34 N -0.26 3.45 -0.33 2.72 1.00 0.79 -0.62 119.30 126.05 2g35 s MET 34 Ca 0.09 -0.24 -0.18 0.00 0.00 0.00 0.00 55.69 55.36 2g35 s MET 34 Cb -0.12 -3.11 -0.01 0.00 0.00 0.00 0.00 34.83 31.59 2g35 s MET 34 CO 0.01 0.66 0.53 1.03 0.00 0.00 0.00 175.02 177.24 2g35 s ARG 35 N -0.70 3.74 -0.11 2.03 0.52 0.95 -0.79 118.95 124.59 2g35 s ARG 35 Ca 0.12 -0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.34 2g35 s ARG 35 Cb -0.12 -3.77 0.01 0.00 0.52 0.00 0.00 34.95 31.59 2g35 s ARG 35 CO 0.03 -0.58 -0.19 0.08 0.02 0.00 0.00 175.30 174.65 2g35 s VAL 36 N 2.41 1.77 0.47 3.52 1.01 0.20 0.21 120.40 129.99 2g35 s VAL 36 Ca 0.20 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 2g35 s VAL 36 Cb -0.15 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 2g35 s VAL 36 CO 0.12 0.50 1.08 -0.62 0.00 0.00 0.00 175.10 176.18 2g35 s ASP 37 N 0.71 6.28 0.14 3.32 -1.08 -0.51 0.26 116.67 125.79 2g35 s ASP 37 Ca -0.11 2.07 0.19 0.00 -0.52 0.00 0.00 52.55 54.18 2g35 s ASP 37 Cb -0.16 -2.58 -0.06 0.00 -1.46 0.00 0.00 42.92 38.66 2g35 s ASP 37 CO 0.02 -0.83 0.97 -0.08 0.52 0.00 0.00 175.17 175.77 2g35 h GLU 38 N 1.78 0.00 0.10 4.34 4.22 -1.86 0.54 114.58 123.70 2g35 h GLU 38 Ca -0.49 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.94 2g35 h GLU 38 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2g35 h GLU 38 CO 0.59 0.17 -0.05 -0.22 -2.18 0.00 0.00 179.01 177.33 2g35 h LYS 39 N 0.00 -0.13 -0.01 1.92 3.64 -1.91 -3.32 116.57 116.76 2g35 h LYS 39 Ca -0.08 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2g35 h LYS 39 Cb 1.32 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2g35 h LYS 39 CO 0.03 0.36 -0.52 2.41 -2.27 0.00 0.00 179.45 179.46 2g35 n THR 40 N -4.89 0.00 -1.82 1.00 -1.04 -1.26 -4.94 114.28 101.33 2g35 n THR 40 Ca -0.08 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 61.55 2g35 n THR 40 Cb 0.28 1.23 -0.03 0.00 -1.82 0.00 0.00 70.33 69.98 2g35 n THR 40 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2g35 n LYS 41 N -0.15 -1.66 -3.92 -2.82 4.81 0.18 -4.92 118.16 109.67 2g35 n LYS 41 Ca 0.09 0.71 -0.21 0.00 -0.87 0.00 0.00 58.31 58.02 2g35 n LYS 41 Cb 0.45 -5.10 -0.04 0.00 0.02 0.00 0.00 35.03 30.36 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 -3.91 2.80 -0.13 1.64 2.56 -1.24 -4.83 118.70 115.58 2g35 s GLU 42 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 54.97 53.48 2g35 s GLU 42 Cb 0.00 -2.51 -0.01 0.00 2.00 0.00 0.00 34.13 33.61 2g35 s GLU 42 CO 0.00 0.21 0.95 0.08 -0.56 0.00 0.00 175.26 175.94 2g35 s VAL 43 N -2.24 4.81 -0.19 3.70 1.01 -1.26 -1.43 120.40 124.80 2g35 s VAL 43 Ca 0.38 1.91 0.18 0.00 0.00 0.00 0.00 61.98 64.45 2g35 s VAL 43 Cb -0.07 -4.26 -0.25 0.00 0.00 0.00 0.00 36.38 31.81 2g35 s VAL 43 CO 0.26 0.01 0.11 -0.38 0.00 0.00 0.00 175.10 175.09 2g35 n ILE 44 N 4.62 1.35 -3.63 2.22 2.08 0.56 -4.94 119.36 121.62 2g35 n ILE 44 Ca 0.07 -0.84 -0.03 0.00 0.56 0.00 0.00 62.75 62.50 2g35 n ILE 44 Cb 0.49 -0.46 -0.01 0.00 -0.75 0.00 0.00 39.64 38.90 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 0.75 0.16 0.38 0.74 -1.07 -4.95 119.66 113.14 2g35 s GLN 45 Ca -0.10 -0.37 0.03 0.00 0.05 0.00 0.00 55.36 54.97 2g35 s GLN 45 Cb 0.06 0.29 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 2g35 s GLN 45 CO 0.83 -0.34 -0.05 -1.21 -0.55 0.00 0.00 175.29 173.97 2g35 s GLU 46 N -2.88 1.09 0.01 1.67 2.02 -1.26 0.32 118.70 119.67 2g35 s GLU 46 Ca 0.11 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.60 2g35 s GLU 46 Cb 0.00 -0.46 -0.01 0.00 0.10 0.00 0.00 34.13 33.76 2g35 s GLU 46 CO -0.03 -0.03 -0.03 -1.58 0.02 0.00 0.00 175.26 173.61 2g35 s TRP 47 N -3.48 0.23 0.11 1.61 0.52 0.21 -4.93 118.94 113.20 2g35 s TRP 47 Ca 0.20 -0.24 -0.30 0.00 0.02 0.00 0.00 56.10 55.78 2g35 s TRP 47 Cb 0.05 -0.15 -0.06 0.00 -1.15 0.00 0.00 33.47 32.15 2g35 s TRP 47 CO 0.02 -0.07 1.08 -1.12 0.02 0.00 0.00 176.95 176.88 2g35 s SER 48 N -0.66 7.28 0.47 2.95 0.01 -1.26 -0.95 113.70 121.54 2g35 s SER 48 Ca -0.06 1.94 0.21 0.00 1.31 0.00 0.00 55.95 59.36 2g35 s SER 48 Cb -0.05 -2.59 1.15 0.00 0.21 0.00 0.00 66.02 64.74 2g35 s SER 48 CO -0.00 -0.26 1.97 -0.07 0.41 0.00 0.00 173.24 175.29 2g35 h LEU 49 N 5.90 0.00 0.00 2.44 3.38 -1.82 -0.94 115.31 124.27 2g35 h LEU 49 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 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 0.75 0.20 0.00 0.41 0.09 0.00 0.00 178.44 179.89 2g35 n THR 50 N -3.82 0.33 0.07 0.22 -1.04 -1.26 -2.76 114.28 106.02 2g35 n THR 50 Ca -0.02 0.08 0.08 0.00 -2.04 0.00 0.00 64.05 62.15 2g35 n THR 50 Cb 0.30 -0.69 -0.04 0.00 -1.82 0.00 0.00 70.33 68.09 2g35 n THR 50 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2g35 n ASN 51 N -1.40 0.80 -4.66 8.00 4.13 -0.36 -4.84 115.26 116.91 2g35 n ASN 51 Ca 0.08 0.32 -0.42 0.00 1.68 0.00 0.00 54.58 56.24 2g35 n ASN 51 Cb 0.24 0.46 -0.03 0.00 -1.54 0.00 0.00 39.78 38.91 2g35 n ASN 51 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2g35 s ILE 52 N -3.23 3.59 -0.19 2.41 1.01 -1.11 -4.30 121.20 119.37 2g35 s ILE 52 Ca -0.02 0.77 -0.12 0.00 0.00 0.00 0.00 60.65 61.29 2g35 s ILE 52 Cb 0.09 -3.50 -0.21 0.00 0.01 0.00 0.00 42.46 38.86 2g35 s ILE 52 CO 0.80 -0.06 0.14 1.17 0.00 0.00 0.00 174.94 177.00 2g35 n LYS 53 N 6.83 0.66 -4.01 2.79 4.81 0.44 -5.00 118.16 124.69 2g35 n LYS 53 Ca 0.17 0.36 -0.11 0.00 -0.87 0.00 0.00 58.31 57.85 2g35 n LYS 53 Cb 0.43 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.48 1.82 0.28 1.64 1.70 -1.25 -5.02 118.95 115.64 2g35 s ARG 54 Ca -0.28 -1.50 -0.20 0.00 -0.47 0.00 0.00 55.73 53.28 2g35 s ARG 54 Cb 0.08 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.96 2g35 s ARG 54 CO 0.65 -0.77 0.69 1.67 -1.08 0.00 0.00 175.30 176.45 2g35 s TRP 55 N -3.32 -0.10 -0.19 5.89 -2.14 -1.26 -2.14 118.94 115.69 2g35 s TRP 55 Ca 0.25 -0.35 -0.04 0.00 2.66 0.00 0.00 56.10 58.61 2g35 s TRP 55 Cb -0.01 0.63 0.09 0.00 -3.10 0.00 0.00 33.47 31.09 2g35 s TRP 55 CO 0.14 -1.21 0.32 0.00 -2.66 0.00 0.00 176.95 173.54 2g35 s ALA 56 N -3.89 -0.76 -0.45 2.67 0.00 -0.35 -4.96 121.76 114.02 2g35 s ALA 56 Ca 0.13 0.89 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 2g35 s ALA 56 Cb -0.05 -1.32 0.05 0.00 0.00 0.00 0.00 23.12 21.79 2g35 s ALA 56 CO 0.07 -0.96 0.41 0.00 0.00 0.00 0.00 175.76 175.29 2g35 s ALA 57 N 2.47 3.49 0.53 0.00 0.00 -1.26 -1.47 121.76 125.52 2g35 s ALA 57 Ca 0.05 -1.84 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 2g35 s ALA 57 Cb -0.14 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2g35 s ALA 57 CO -0.12 -1.67 0.85 -1.12 0.00 0.00 0.00 175.76 173.69 2g35 s SER 58 N 2.22 5.97 0.00 0.00 0.01 0.25 -4.72 113.70 117.43 2g35 s SER 58 Ca 0.07 0.86 0.01 0.00 1.31 0.00 0.00 55.95 58.20 2g35 s SER 58 Cb -0.21 -2.02 0.05 0.00 0.21 0.00 0.00 66.02 64.05 2g35 s SER 58 CO 0.10 -0.80 0.41 -0.81 0.41 0.00 0.00 173.24 172.54 2g35 n PRO 59 N -2.42 0.03 0.00 12.44 -0.04 -1.26 -2.79 135.00 140.96 2g35 n PRO 59 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2g35 n PRO 59 Cb 0.56 -1.36 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 -0.86 1.32 -4.30 0.54 2.85 -1.23 -4.77 118.16 111.71 2g35 n LYS 60 Ca 0.01 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.11 2g35 n LYS 60 Cb 0.00 -0.11 -0.10 0.00 -0.65 0.00 0.00 35.03 34.17 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 0.00 1.21 -0.00 -5.58 0.01 -1.04 0.23 113.70 108.53 2g35 s SER 61 Ca 0.00 -1.32 0.01 0.00 1.31 0.00 0.00 55.95 55.95 2g35 s SER 61 Cb 0.00 0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.37 2g35 s SER 61 CO 0.00 -0.68 -0.05 0.12 0.41 0.00 0.00 173.24 173.04 2g35 s PHE 62 N -3.72 0.44 0.03 2.43 5.36 -0.56 0.85 117.98 122.81 2g35 s PHE 62 Ca 0.34 -0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.22 2g35 s PHE 62 Cb 0.07 -0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 42.46 2g35 s PHE 62 CO 0.11 -0.01 -0.07 0.99 -1.46 0.00 0.00 175.22 174.78 2g35 s THR 63 N -0.19 0.51 0.03 0.12 2.01 -0.54 -1.74 115.64 115.83 2g35 s THR 63 Ca 0.01 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 2g35 s THR 63 Cb -0.02 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 2g35 s THR 63 CO -0.00 -0.20 0.11 -1.48 -0.69 0.00 0.00 174.62 172.36 2g35 s LEU 64 N -1.07 1.71 -0.06 4.42 0.05 -0.79 -1.21 118.68 121.73 2g35 s LEU 64 Ca -0.06 -0.44 0.02 0.00 0.05 0.00 0.00 54.13 53.70 2g35 s LEU 64 Cb -0.07 0.65 0.01 0.00 -2.05 0.00 0.00 46.19 44.73 2g35 s LEU 64 CO 0.00 -0.48 -0.10 1.51 -0.55 0.00 0.00 176.35 176.73 2g35 s ASP 65 N -1.95 1.55 0.00 1.48 -4.77 -0.91 -2.28 116.67 109.79 2g35 s ASP 65 Ca -0.07 -0.25 0.24 0.00 -3.30 0.00 0.00 52.55 49.16 2g35 s ASP 65 Cb -0.03 -0.72 0.79 0.00 -1.09 0.00 0.00 42.92 41.87 2g35 s ASP 65 CO -0.03 0.01 1.58 0.49 0.70 0.00 0.00 175.17 177.93 2g35 n PHE 66 N 3.85 0.15 -0.30 2.11 3.72 -1.26 -0.42 117.46 125.30 2g35 n PHE 66 Ca -0.23 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 2g35 n PHE 66 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.19 1.95 3.48 1.37 0.00 -1.26 -4.71 105.19 107.20 2g35 n GLY 67 Ca 0.17 0.00 -0.43 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 -3.39 6.48 0.26 1.61 1.01 -1.26 -4.87 116.67 116.51 2g35 s ASP 68 Ca 0.00 -1.64 -0.04 0.00 0.71 0.00 0.00 52.55 51.58 2g35 s ASP 68 Cb 0.00 -2.44 0.53 0.00 1.01 0.00 0.00 42.92 42.02 2g35 s ASP 68 CO 0.00 -1.26 1.64 0.22 0.21 0.00 0.00 175.17 175.98 2g35 h TYR 69 N 9.23 0.09 -0.29 4.23 3.20 -1.91 0.96 116.97 132.47 2g35 h TYR 69 Ca 0.05 0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.04 2g35 h TYR 69 Cb 1.03 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 39.32 2g35 h TYR 69 CO 1.14 -0.23 -0.20 -0.56 -1.64 0.00 0.00 178.16 176.67 2g35 h GLN 70 N 0.14 -0.18 -0.48 1.82 3.07 -2.02 0.10 115.11 117.57 2g35 h GLN 70 Ca 0.46 0.01 -0.02 0.00 0.09 0.00 0.00 58.65 59.19 2g35 h GLN 70 Cb 0.85 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.43 2g35 h GLN 70 CO -0.66 -0.12 0.20 0.22 0.09 0.00 0.00 178.83 178.56 2g35 h ASP 71 N -0.18 0.61 -4.13 0.06 1.82 -1.29 -3.48 116.42 109.82 2g35 h ASP 71 Ca 0.15 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2g35 h ASP 71 Cb 0.42 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2g35 h ASP 71 CO -0.39 0.54 0.00 0.61 -1.61 0.00 0.00 179.24 178.39 2g35 n GLY 72 N -1.16 -1.20 3.84 -0.78 0.00 0.02 -4.92 105.19 101.00 2g35 n GLY 72 Ca 0.04 -1.60 -0.31 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 -1.32 3.35 -0.22 1.61 2.02 -1.26 -4.67 117.35 116.86 2g35 s TYR 73 Ca 0.00 1.36 -0.02 0.00 -0.37 0.00 0.00 57.07 58.05 2g35 s TYR 73 Cb 0.00 -2.81 0.07 0.00 -0.40 0.00 0.00 41.96 38.82 2g35 s TYR 73 CO 0.00 -0.97 0.03 -0.47 -1.57 0.00 0.00 175.55 172.57 2g35 s TYR 74 N -3.09 1.42 0.06 2.71 5.04 -0.97 -5.03 117.35 117.49 2g35 s TYR 74 Ca 0.57 -1.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.03 2g35 s TYR 74 Cb -0.13 -1.26 -0.03 0.00 0.35 0.00 0.00 41.96 40.90 2g35 s TYR 74 CO 0.54 -0.69 -0.09 0.45 -1.34 0.00 0.00 175.55 174.41 2g35 s SER 75 N 1.72 1.11 0.24 4.32 0.15 -1.26 -1.89 113.70 118.10 2g35 s SER 75 Ca -0.00 -0.62 -0.05 0.00 0.70 0.00 0.00 55.95 55.98 2g35 s SER 75 Cb -0.17 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 2g35 s SER 75 CO -0.11 -0.20 0.31 0.68 1.20 0.00 0.00 173.24 175.13 2g35 s VAL 76 N -1.60 0.00 0.20 4.45 -7.23 -0.71 -4.91 120.40 110.60 2g35 s VAL 76 Ca -0.05 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 2g35 s VAL 76 Cb -0.08 -2.40 -0.08 0.00 0.56 0.00 0.00 36.38 34.37 2g35 s VAL 76 CO 0.00 0.00 0.99 -1.10 -0.31 0.00 0.00 175.10 174.69 2g35 s GLN 77 N -3.93 4.75 -0.18 4.82 -0.21 0.24 -1.50 119.66 123.65 2g35 s GLN 77 Ca 0.32 1.56 -0.06 0.00 0.02 0.00 0.00 55.36 57.20 2g35 s GLN 77 Cb 0.03 -3.29 0.09 0.00 1.00 0.00 0.00 33.01 30.84 2g35 s GLN 77 CO 0.13 0.33 0.36 0.95 -2.12 0.00 0.00 175.29 174.94 2g35 s THR 78 N -0.75 -0.56 0.35 -0.19 -4.23 0.61 -2.49 115.64 108.39 2g35 s THR 78 Ca 0.44 0.18 0.30 0.00 -1.18 0.00 0.00 61.69 61.43 2g35 s THR 78 Cb -0.27 -0.61 0.32 0.00 1.34 0.00 0.00 72.50 73.29 2g35 s THR 78 CO 0.33 0.06 2.06 0.74 -0.54 0.00 0.00 174.62 177.27 2g35 h THR 79 N 6.22 0.38 -0.76 3.99 2.02 -1.87 -2.73 112.91 120.16 2g35 h THR 79 Ca -0.16 -0.54 -0.41 0.00 0.77 0.00 0.00 66.41 66.07 2g35 h THR 79 Cb 1.12 1.39 -0.41 0.00 -1.74 0.00 0.00 68.15 68.50 2g35 h THR 79 CO 0.14 0.09 -0.97 -0.62 0.37 0.00 0.00 175.52 174.54 2g35 n GLU 80 N -3.42 2.57 0.17 6.66 -0.58 -1.26 -4.60 120.64 120.17 2g35 n GLU 80 Ca -0.01 -3.85 0.06 0.00 -0.42 0.00 0.00 57.16 52.94 2g35 n GLU 80 Cb 0.26 -1.89 0.33 0.00 -0.57 0.00 0.00 31.44 29.56 2g35 n GLU 80 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2g35 h GLY 81 N 2.50 0.00 0.36 0.62 0.00 -1.70 -0.46 103.07 104.38 2g35 h GLY 81 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2g35 h GLY 81 CO 0.52 0.00 -0.14 -2.09 0.00 0.00 0.00 176.54 174.84 2g35 h GLU 82 N 0.00 -0.37 -0.76 4.80 4.81 -1.85 -2.09 114.58 119.12 2g35 h GLU 82 Ca 0.00 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 2g35 h GLU 82 Cb 0.73 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.10 2g35 h GLU 82 CO 0.00 -0.11 0.34 1.96 -0.73 0.00 0.00 179.01 180.48 2g35 h GLN 83 N -1.03 0.50 -0.44 1.92 4.20 -1.50 1.32 115.11 120.09 2g35 h GLN 83 Ca -0.04 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.71 2g35 h GLN 83 Cb 0.43 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2g35 h GLN 83 CO 0.06 0.33 0.30 0.82 -0.67 0.00 0.00 178.83 179.67 2g35 h ILE 84 N 0.51 0.92 0.00 2.54 2.04 -1.52 1.09 117.51 123.10 2g35 h ILE 84 Ca 0.41 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 66.09 2g35 h ILE 84 Cb 0.58 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2g35 h ILE 84 CO -0.37 0.05 -0.71 0.00 0.00 0.00 0.00 178.15 177.12 2g35 h ALA 85 N 1.77 0.70 0.20 1.87 0.00 0.20 -2.40 119.26 121.61 2g35 h ALA 85 Ca 0.20 -0.39 -0.33 0.00 0.00 0.00 0.00 54.91 54.39 2g35 h ALA 85 Cb 0.41 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.26 2g35 h ALA 85 CO -0.04 0.47 -1.57 0.37 0.00 0.00 0.00 179.25 178.48 2g35 h GLN 86 N 0.00 0.43 -0.36 0.00 4.15 0.42 0.14 115.11 119.89 2g35 h GLN 86 Ca -0.04 -0.74 -0.16 0.00 0.77 0.00 0.00 58.65 58.48 2g35 h GLN 86 Cb 1.30 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 29.25 2g35 h GLN 86 CO 0.04 1.34 -0.42 1.25 -1.93 0.00 0.00 178.83 179.10 2g35 h LEU 87 N 0.12 0.97 -0.01 -2.39 5.85 0.94 -1.48 115.31 119.31 2g35 h LEU 87 Ca -0.28 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 2g35 h LEU 87 Cb 2.11 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2g35 h LEU 87 CO 0.22 1.26 -0.03 0.40 -0.34 0.00 0.00 178.44 179.94 2g35 h ILE 88 N 0.73 1.47 0.00 4.05 2.04 -1.51 -2.21 117.51 122.08 2g35 h ILE 88 Ca 0.05 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.47 2g35 h ILE 88 Cb 1.02 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 2g35 h ILE 88 CO 0.10 0.38 0.10 0.00 0.00 0.00 0.00 178.15 178.73 2g35 h ALA 89 N 0.41 1.09 0.00 1.87 0.00 -0.69 0.11 119.26 122.04 2g35 h ALA 89 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2g35 h ALA 89 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2g35 h ALA 89 CO 0.01 -0.09 -1.45 0.41 0.00 0.00 0.00 179.25 178.13 2g35 n GLY 90 N -1.20 -1.20 0.09 0.00 0.00 -0.56 -4.05 105.19 98.26 2g35 n GLY 90 Ca -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 2g35 n GLY 90 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2g35 h TYR 91 N 0.00 0.00 0.00 1.61 0.05 -0.20 -3.26 116.97 115.16 2g35 h TYR 91 Ca -0.16 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.59 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 0.80 -0.16 0.82 -1.05 0.00 0.00 178.16 178.57 2g35 h ILE 92 N 0.00 0.59 0.00 -2.88 2.04 -1.51 -2.13 117.51 113.61 2g35 h ILE 92 Ca -0.08 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2g35 h ILE 92 Cb 1.68 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 2g35 h ILE 92 CO 0.09 0.16 -0.45 0.44 0.00 0.00 0.00 178.15 178.39 2g35 h ASP 93 N 0.00 0.00 1.03 1.72 5.19 -1.70 -3.16 116.42 119.49 2g35 h ASP 93 Ca -0.00 -0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.28 2g35 h ASP 93 Cb 0.46 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 2g35 h ASP 93 CO 0.02 0.00 -1.03 0.40 -3.12 0.00 0.00 179.24 175.51 2g35 h ILE 94 N 0.00 0.52 0.00 0.35 2.04 -1.47 -3.09 117.51 115.87 2g35 h ILE 94 Ca 0.00 -1.89 -0.25 0.00 1.00 0.00 0.00 64.86 63.72 2g35 h ILE 94 Cb 0.99 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 2g35 h ILE 94 CO 0.00 0.30 -1.31 0.16 0.00 0.00 0.00 178.15 177.30 2g35 h ILE 95 N 0.00 1.34 0.00 -0.67 3.07 -1.56 -3.25 117.51 116.44 2g35 h ILE 95 Ca -0.09 -3.11 -0.17 0.00 1.55 0.00 0.00 64.86 63.04 2g35 h ILE 95 Cb 1.42 2.67 -0.02 0.00 -0.27 0.00 0.00 36.82 40.62 2g35 h ILE 95 CO 0.04 0.77 -0.83 -0.07 -1.05 0.00 0.00 178.15 177.02 2g35 h LEU 96 N 0.00 0.00 -0.06 0.16 3.38 -1.66 -3.26 115.31 113.88 2g35 h LEU 96 Ca -0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2g35 h LEU 96 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 2g35 h LEU 96 CO 0.11 0.83 -0.21 0.07 0.09 0.00 0.00 178.44 179.33 2g35 h LYS 97 N 0.00 0.24 -0.63 1.13 2.10 -1.64 -3.07 116.57 114.71 2g35 h LYS 97 Ca -0.01 -0.19 0.17 0.00 -2.00 0.00 0.00 60.65 58.62 2g35 h LYS 97 Cb 1.61 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.95 2g35 h LYS 97 CO 0.11 0.82 0.44 0.87 -2.00 0.00 0.00 179.45 179.69 2g35 h LYS 98 N -0.28 0.11 -0.22 0.07 1.57 -1.66 0.28 116.57 116.44 2g35 h LYS 98 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2g35 h LYS 98 Cb 0.85 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 2g35 h LYS 98 CO 0.04 0.07 0.04 0.87 -0.57 0.00 0.00 179.45 179.90 2g35 h LYS 99 N 0.11 0.31 0.00 3.15 1.79 -1.58 -3.52 116.57 116.83 2g35 h LYS 99 Ca 0.30 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2g35 h LYS 99 Cb 1.05 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2g35 h LYS 99 CO -0.03 0.30 0.00 1.63 -1.08 0.00 0.00 179.45 180.27