#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 0.00 -2.55 3.23 4.01 -1.26 -2.79 118.16 118.80 2g35 n LYS 2 Ca 0.00 0.34 -0.04 0.00 -0.51 0.00 0.00 58.31 58.10 2g35 n LYS 2 Cb 0.00 -1.53 0.09 0.00 -0.51 0.00 0.00 35.03 33.09 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 -1.33 0.00 -2.80 -0.18 -1.04 -1.26 -5.06 114.28 102.61 2g35 n THR 3 Ca 0.00 -1.02 -0.02 0.00 -2.04 0.00 0.00 64.05 60.97 2g35 n THR 3 Cb 0.03 0.89 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 2g35 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g35 n TYR 4 N -0.90 -3.60 -2.29 -1.42 4.19 -1.12 -4.66 117.16 107.36 2g35 n TYR 4 Ca -0.12 1.57 -0.00 0.00 3.31 0.00 0.00 57.90 62.66 2g35 n TYR 4 Cb 0.80 -3.77 -0.00 0.00 0.49 0.00 0.00 39.34 36.85 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 0.55 -2.31 3.06 2.98 0.00 -1.26 -5.01 105.19 103.20 2g35 n GLY 5 Ca 0.02 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.25 1.17 -0.77 1.61 1.01 -1.26 -5.04 120.40 116.87 2g35 s VAL 6 Ca -0.02 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 2g35 s VAL 6 Cb 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.37 2g35 s VAL 6 CO 0.06 0.36 1.31 -0.44 0.00 0.00 0.00 175.10 176.38 2g35 s SER 7 N 0.39 6.19 -0.24 3.32 0.01 -1.25 -4.88 113.70 117.24 2g35 s SER 7 Ca -0.09 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.43 2g35 s SER 7 Cb -0.13 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 2g35 s SER 7 CO 0.03 -1.81 0.50 0.72 0.41 0.00 0.00 173.24 173.09 2g35 s PHE 8 N 5.69 3.29 -0.16 2.43 -0.12 -1.25 -0.90 117.98 126.96 2g35 s PHE 8 Ca 0.37 0.65 -0.07 0.00 -0.05 0.00 0.00 56.93 57.82 2g35 s PHE 8 Cb -0.07 -2.69 -0.04 0.00 -0.63 0.00 0.00 43.02 39.59 2g35 s PHE 8 CO 0.12 -0.22 0.09 -0.06 -0.05 0.00 0.00 175.22 175.10 2g35 s PHE 9 N 2.09 3.38 -0.61 3.49 0.40 0.02 -4.69 117.98 122.05 2g35 s PHE 9 Ca 0.21 0.28 -0.28 0.00 -0.60 0.00 0.00 56.93 56.55 2g35 s PHE 9 Cb -0.16 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.37 2g35 s PHE 9 CO 0.09 0.39 1.33 -1.17 0.70 0.00 0.00 175.22 176.56 2g35 s LEU 10 N -0.17 3.36 0.14 -0.37 0.20 -1.26 -0.51 118.68 120.08 2g35 s LEU 10 Ca 0.09 0.06 0.08 0.00 0.69 0.00 0.00 54.13 55.05 2g35 s LEU 10 Cb -0.12 -2.96 -0.04 0.00 -0.43 0.00 0.00 46.19 42.64 2g35 s LEU 10 CO 0.01 -1.69 -0.07 0.68 -0.29 0.00 0.00 176.35 174.99 2g35 s VAL 11 N 5.73 3.45 0.17 1.68 -7.23 0.13 -4.87 120.40 119.47 2g35 s VAL 11 Ca 0.46 -1.40 0.06 0.00 -1.81 0.00 0.00 61.98 59.29 2g35 s VAL 11 Cb -0.09 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2g35 s VAL 11 CO 0.23 -0.01 0.07 -0.54 -0.31 0.00 0.00 175.10 174.54 2g35 s LYS 12 N -2.58 2.66 0.16 4.82 1.02 -0.81 0.80 119.74 125.81 2g35 s LYS 12 Ca 0.24 -0.99 0.04 0.00 0.02 0.00 0.00 55.97 55.29 2g35 s LYS 12 Cb -0.10 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 2g35 s LYS 12 CO 0.16 0.47 -0.09 -1.21 -0.92 0.00 0.00 175.35 173.76 2g35 s GLU 13 N -3.04 1.11 -0.48 1.68 2.02 0.11 -0.20 118.70 119.90 2g35 s GLU 13 Ca 0.29 -1.49 -0.07 0.00 0.02 0.00 0.00 54.97 53.73 2g35 s GLU 13 Cb -0.10 -0.64 0.12 0.00 0.10 0.00 0.00 34.13 33.62 2g35 s GLU 13 CO 0.21 0.05 0.32 0.15 0.02 0.00 0.00 175.26 176.02 2g35 s LYS 14 N -3.76 2.36 0.51 1.61 -0.14 -1.26 0.27 119.74 119.33 2g35 s LYS 14 Ca 0.19 -1.87 -0.18 0.00 -1.36 0.00 0.00 55.97 52.74 2g35 s LYS 14 Cb 0.03 -3.81 -0.07 0.00 -1.68 0.00 0.00 37.83 32.29 2g35 s LYS 14 CO 0.02 -1.16 1.01 -1.64 -0.76 0.00 0.00 175.35 172.82 2g35 s MET 15 N 1.13 3.81 0.00 1.68 -1.94 -1.26 -5.00 119.30 117.72 2g35 s MET 15 Ca 0.08 1.13 0.00 0.00 -1.71 0.00 0.00 55.69 55.19 2g35 s MET 15 Cb -0.24 -2.11 0.00 0.00 2.01 0.00 0.00 34.83 34.49 2g35 s MET 15 CO -0.02 -0.40 0.14 0.36 -0.01 0.00 0.00 175.02 175.09 2g35 n LYS 16 N -1.40 0.00 -0.34 2.03 -0.00 -1.26 -3.01 118.16 114.18 2g35 n LYS 16 Ca 0.08 0.03 0.26 0.00 -0.00 0.00 0.00 58.31 58.68 2g35 n LYS 16 Cb 0.53 -0.64 0.41 0.00 -0.00 0.00 0.00 35.03 35.33 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 -0.17 -0.49 3.30 2.58 0.00 -1.26 -3.77 105.19 105.37 2g35 n GLY 17 Ca 0.00 0.37 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 2g35 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g35 s LYS 18 N -4.08 3.31 0.00 1.61 0.00 -1.16 -4.92 119.74 114.50 2g35 s LYS 18 Ca -0.03 -0.68 0.23 0.00 0.00 0.00 0.00 55.97 55.49 2g35 s LYS 18 Cb 0.14 -2.81 1.38 0.00 0.00 0.00 0.00 37.83 36.54 2g35 s LYS 18 CO 0.45 -0.07 1.76 0.09 0.00 0.00 0.00 175.35 177.59 2g35 n ASN 19 N 4.35 0.00 -2.72 0.03 3.02 -1.25 -4.00 115.26 114.69 2g35 n ASN 19 Ca -0.19 -0.78 -0.11 0.00 -0.03 0.00 0.00 54.58 53.47 2g35 n ASN 19 Cb 0.51 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.76 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2g35 n LYS 20 N -0.98 -0.71 -4.11 3.52 3.00 -1.26 -4.97 118.16 112.65 2g35 n LYS 20 Ca 0.17 -0.73 -0.24 0.00 -0.00 0.00 0.00 58.31 57.51 2g35 n LYS 20 Cb 0.08 -0.51 -0.05 0.00 0.00 0.00 0.00 35.03 34.54 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 3.77 -0.19 3.14 1.43 -1.26 -4.06 118.68 121.51 2g35 s LEU 21 Ca 0.27 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2g35 s LEU 21 Cb -0.01 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.91 2g35 s LEU 21 CO 0.19 0.02 -0.07 -0.69 0.23 0.00 0.00 176.35 176.04 2g35 s VAL 22 N -1.93 1.36 0.57 -1.59 1.01 0.76 -4.85 120.40 115.73 2g35 s VAL 22 Ca 0.32 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 2g35 s VAL 22 Cb -0.09 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2g35 s VAL 22 CO 0.24 0.10 1.14 -2.65 0.00 0.00 0.00 175.10 173.93 2g35 n PRO 23 N 4.77 1.24 -3.68 2.72 -0.02 -1.26 0.09 135.00 138.86 2g35 n PRO 23 Ca -0.13 0.47 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 2g35 n PRO 23 Cb 0.47 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 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 -2.79 0.74 -0.10 -0.52 6.06 0.24 -4.09 118.95 118.49 2g35 s ARG 24 Ca 0.74 0.20 -0.04 0.00 -2.50 0.00 0.00 55.73 54.12 2g35 s ARG 24 Cb -0.43 0.34 -0.04 0.00 0.06 0.00 0.00 34.95 34.89 2g35 s ARG 24 CO 0.48 -0.19 0.07 -0.51 -2.50 0.00 0.00 175.30 172.65 2g35 s LEU 25 N -0.80 3.97 -0.28 -0.88 1.43 0.49 0.23 118.68 122.83 2g35 s LEU 25 Ca -0.09 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2g35 s LEU 25 Cb -0.03 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.30 2g35 s LEU 25 CO 0.05 0.39 -0.08 -0.22 0.23 0.00 0.00 176.35 176.72 2g35 s LEU 26 N -0.99 3.69 -0.07 1.79 2.96 0.34 -0.39 118.68 126.01 2g35 s LEU 26 Ca 0.14 -1.55 -0.30 0.00 -0.22 0.00 0.00 54.13 52.21 2g35 s LEU 26 Cb -0.12 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2g35 s LEU 26 CO 0.04 -0.23 1.07 -0.83 -1.32 0.00 0.00 176.35 175.08 2g35 s GLY 27 N 1.07 2.35 -0.27 7.98 0.00 0.61 -0.80 107.32 118.25 2g35 s GLY 27 Ca -0.05 0.50 -0.00 0.00 0.00 0.00 0.00 44.72 45.16 2g35 s GLY 27 CO -0.06 1.99 -0.05 -0.42 0.00 0.00 0.00 173.10 174.56 2g35 s ILE 28 N 1.90 2.72 0.43 0.90 -1.09 -0.08 0.12 121.20 126.09 2g35 s ILE 28 Ca 0.52 -1.35 0.08 0.00 -2.23 0.00 0.00 60.65 57.66 2g35 s ILE 28 Cb -0.21 -2.52 0.01 0.00 -1.58 0.00 0.00 42.46 38.16 2g35 s ILE 28 CO 0.21 0.00 0.58 -0.89 -1.23 0.00 0.00 174.94 173.61 2g35 s THR 29 N 1.23 2.98 -0.36 2.92 2.01 0.48 -3.80 115.64 121.10 2g35 s THR 29 Ca -0.05 -0.99 0.27 0.00 0.31 0.00 0.00 61.69 61.24 2g35 s THR 29 Cb -0.19 -2.99 0.30 0.00 0.01 0.00 0.00 72.50 69.63 2g35 s THR 29 CO -0.03 0.00 1.79 0.07 -0.69 0.00 0.00 174.62 175.76 2g35 h LYS 30 N 0.61 0.00 0.00 4.92 2.10 -1.97 -3.24 116.57 118.99 2g35 h LYS 30 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2g35 h LYS 30 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2g35 h LYS 30 CO 0.45 0.00 -0.02 0.39 -2.00 0.00 0.00 179.45 178.27 2g35 n GLU 31 N -2.57 0.79 -3.58 0.07 1.02 -1.26 -4.83 120.64 110.28 2g35 n GLU 31 Ca 0.02 -0.80 -0.05 0.00 -0.02 0.00 0.00 57.16 56.31 2g35 n GLU 31 Cb 0.32 -0.64 -0.02 0.00 -0.02 0.00 0.00 31.44 31.08 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 -2.87 2.56 0.04 0.00 1.01 0.20 0.18 120.40 121.52 2g35 s VAL 33 Ca 0.08 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.62 2g35 s VAL 33 Cb -0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 2g35 s VAL 33 CO -0.06 0.21 -0.08 -0.04 0.00 0.00 0.00 175.10 175.13 2g35 s MET 34 N -1.78 0.56 -0.13 2.72 1.00 0.32 0.16 119.30 122.15 2g35 s MET 34 Ca 0.15 -0.73 -0.17 0.00 0.00 0.00 0.00 55.69 54.95 2g35 s MET 34 Cb -0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 34.83 34.31 2g35 s MET 34 CO 0.06 0.07 0.41 1.03 0.00 0.00 0.00 175.02 176.60 2g35 s ARG 35 N -1.46 4.30 -0.07 2.03 0.52 0.33 -0.29 118.95 124.31 2g35 s ARG 35 Ca -0.08 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 2g35 s ARG 35 Cb -0.09 -3.43 0.02 0.00 0.52 0.00 0.00 34.95 31.97 2g35 s ARG 35 CO 0.01 0.20 -0.05 0.08 0.02 0.00 0.00 175.30 175.55 2g35 s VAL 36 N 0.53 0.71 0.43 3.52 1.01 0.47 0.21 120.40 127.29 2g35 s VAL 36 Ca 0.23 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 2g35 s VAL 36 Cb -0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 2g35 s VAL 36 CO 0.08 0.29 1.06 -0.62 0.00 0.00 0.00 175.10 175.91 2g35 s ASP 37 N 1.36 6.55 0.14 3.32 -1.08 -0.57 0.18 116.67 126.59 2g35 s ASP 37 Ca -0.03 2.04 0.20 0.00 -0.52 0.00 0.00 52.55 54.24 2g35 s ASP 37 Cb -0.14 -2.58 -0.06 0.00 -1.46 0.00 0.00 42.92 38.69 2g35 s ASP 37 CO -0.03 -0.64 0.96 -0.08 0.52 0.00 0.00 175.17 175.91 2g35 h GLU 38 N 2.16 0.00 0.10 4.34 4.22 -1.85 0.14 114.58 123.70 2g35 h GLU 38 Ca -0.49 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.95 2g35 h GLU 38 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2g35 h GLU 38 CO 0.61 0.14 -0.05 -0.22 -2.18 0.00 0.00 179.01 177.31 2g35 h LYS 39 N 0.00 -0.14 -0.02 1.92 3.64 -1.91 -3.29 116.57 116.77 2g35 h LYS 39 Ca -0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2g35 h LYS 39 Cb 1.27 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2g35 h LYS 39 CO 0.02 0.28 -0.23 0.25 -2.27 0.00 0.00 179.45 177.50 2g35 n THR 40 N -4.95 0.00 -1.86 1.00 -2.24 -1.26 -4.94 114.28 100.03 2g35 n THR 40 Ca -0.09 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 2g35 n THR 40 Cb 0.25 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.51 -1.76 -3.83 -0.78 5.02 0.50 -4.91 118.16 112.91 2g35 n LYS 41 Ca 0.10 0.58 -0.21 0.00 -2.02 0.00 0.00 58.31 56.76 2g35 n LYS 41 Cb 0.47 -4.97 -0.03 0.00 -0.02 0.00 0.00 35.03 30.48 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 -3.93 2.88 -0.09 1.97 2.56 -1.23 -4.85 118.70 116.01 2g35 s GLU 42 Ca 0.00 -1.17 -0.25 0.00 0.00 0.00 0.00 54.97 53.55 2g35 s GLU 42 Cb 0.00 -2.58 -0.03 0.00 2.00 0.00 0.00 34.13 33.52 2g35 s GLU 42 CO 0.00 0.17 0.78 0.08 -0.56 0.00 0.00 175.26 175.74 2g35 s VAL 43 N -2.23 4.97 -0.11 3.70 1.01 -1.26 -1.51 120.40 124.97 2g35 s VAL 43 Ca 0.39 1.60 0.15 0.00 0.00 0.00 0.00 61.98 64.12 2g35 s VAL 43 Cb -0.07 -4.11 -0.22 0.00 0.00 0.00 0.00 36.38 31.98 2g35 s VAL 43 CO 0.27 0.17 0.15 -0.38 0.00 0.00 0.00 175.10 175.31 2g35 n ILE 44 N 4.09 0.75 -3.82 2.22 2.08 0.57 -4.94 119.36 120.32 2g35 n ILE 44 Ca 0.02 -0.58 -0.09 0.00 0.56 0.00 0.00 62.75 62.65 2g35 n ILE 44 Cb 0.50 -0.37 -0.05 0.00 -0.75 0.00 0.00 39.64 38.98 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 -2.63 1.37 -0.01 0.38 2.00 -1.01 -4.87 119.66 114.89 2g35 s GLN 45 Ca -0.07 -0.97 -0.00 0.00 -2.00 0.00 0.00 55.36 52.31 2g35 s GLN 45 Cb 0.07 0.49 0.01 0.00 0.80 0.00 0.00 33.01 34.37 2g35 s GLN 45 CO 0.67 -0.57 0.01 -1.21 -0.50 0.00 0.00 175.29 173.69 2g35 s GLU 46 N -3.91 -0.01 0.04 1.67 2.02 -1.26 -0.51 118.70 116.73 2g35 s GLU 46 Ca 0.12 0.07 -0.00 0.00 0.02 0.00 0.00 54.97 55.18 2g35 s GLU 46 Cb -0.00 -0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.12 2g35 s GLU 46 CO -0.01 -0.05 -0.03 -1.58 0.02 0.00 0.00 175.26 173.61 2g35 s TRP 47 N 0.34 0.40 0.23 1.61 0.51 0.42 -4.94 118.94 117.51 2g35 s TRP 47 Ca -0.03 -0.76 -0.18 0.00 -2.12 0.00 0.00 56.10 53.02 2g35 s TRP 47 Cb -0.04 -0.29 -0.08 0.00 -0.81 0.00 0.00 33.47 32.25 2g35 s TRP 47 CO -0.01 -0.26 0.69 -1.54 -0.51 0.00 0.00 176.95 175.32 2g35 s SER 48 N -2.09 6.96 0.38 2.95 1.04 -1.26 0.58 113.70 122.25 2g35 s SER 48 Ca -0.06 1.33 0.10 0.00 0.48 0.00 0.00 55.95 57.80 2g35 s SER 48 Cb -0.02 -2.39 0.74 0.00 0.10 0.00 0.00 66.02 64.45 2g35 s SER 48 CO -0.05 -0.00 1.87 -0.07 0.98 0.00 0.00 173.24 175.97 2g35 h LEU 49 N 3.21 0.15 0.00 2.42 3.38 -1.78 -0.72 115.31 121.97 2g35 h LEU 49 Ca -0.48 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2g35 h LEU 49 Cb 1.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2g35 h LEU 49 CO 0.65 0.40 0.00 0.35 0.09 0.00 0.00 178.44 179.93 2g35 n THR 50 N -4.20 0.49 0.01 0.22 -2.24 -1.26 -2.13 114.28 105.17 2g35 n THR 50 Ca -0.01 0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 2g35 n THR 50 Cb 0.33 -0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 67.52 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 0.11 -2.56 3.42 -0.73 -1.49 -3.45 115.58 110.88 2g35 h ASN 51 Ca 0.00 -0.20 -0.54 0.00 1.87 0.00 0.00 56.30 57.44 2g35 h ASN 51 Cb 0.10 -0.04 0.01 0.00 0.27 0.00 0.00 38.32 38.66 2g35 h ASN 51 CO 0.00 1.17 1.10 -0.63 -0.37 0.00 0.00 177.43 178.70 2g35 s ILE 52 N -2.61 3.22 -0.20 2.57 1.01 -0.90 -4.27 121.20 120.01 2g35 s ILE 52 Ca -0.07 0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 2g35 s ILE 52 Cb 0.08 -3.27 -0.17 0.00 0.01 0.00 0.00 42.46 39.10 2g35 s ILE 52 CO 0.82 -0.03 0.18 0.50 0.00 0.00 0.00 174.94 176.42 2g35 h LYS 53 N 9.44 0.00 -3.76 2.79 3.64 0.27 -3.48 116.57 125.46 2g35 h LYS 53 Ca -0.43 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.76 2g35 h LYS 53 Cb 1.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 2g35 h LYS 53 CO 0.94 0.89 -0.05 -0.98 -2.27 0.00 0.00 179.45 177.99 2g35 s ARG 54 N -2.34 1.99 0.28 1.90 1.70 -1.23 -4.98 118.95 116.26 2g35 s ARG 54 Ca -0.27 -1.63 -0.19 0.00 -0.47 0.00 0.00 55.73 53.17 2g35 s ARG 54 Cb 0.05 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.95 2g35 s ARG 54 CO 0.55 -0.86 0.66 1.67 -1.08 0.00 0.00 175.30 176.24 2g35 s TRP 55 N -2.89 -0.04 -0.23 5.89 -2.14 -1.26 -1.01 118.94 117.26 2g35 s TRP 55 Ca 0.25 -0.41 -0.03 0.00 2.66 0.00 0.00 56.10 58.58 2g35 s TRP 55 Cb -0.02 0.58 0.12 0.00 -3.10 0.00 0.00 33.47 31.05 2g35 s TRP 55 CO 0.17 -1.19 0.31 0.00 -2.66 0.00 0.00 176.95 173.58 2g35 s ALA 56 N -3.89 -0.69 -0.19 2.67 0.00 -0.41 -4.96 121.76 114.30 2g35 s ALA 56 Ca 0.14 0.48 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2g35 s ALA 56 Cb -0.05 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 2g35 s ALA 56 CO 0.08 -1.31 0.16 0.00 0.00 0.00 0.00 175.76 174.68 2g35 s ALA 57 N 2.43 3.69 0.17 0.00 0.00 -1.26 -1.99 121.76 124.81 2g35 s ALA 57 Ca 0.10 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.47 2g35 s ALA 57 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 2g35 s ALA 57 CO -0.17 0.20 -0.13 -1.12 0.00 0.00 0.00 175.76 174.54 2g35 s SER 58 N 0.24 2.24 0.00 0.00 0.01 -0.32 -4.85 113.70 111.01 2g35 s SER 58 Ca 0.10 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2g35 s SER 58 Cb -0.11 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2g35 s SER 58 CO -0.01 -0.21 0.04 -0.81 0.41 0.00 0.00 173.24 172.66 2g35 n PRO 59 N -0.13 0.05 0.00 12.44 -0.04 -1.26 -2.63 135.00 143.43 2g35 n PRO 59 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2g35 n PRO 59 Cb 0.60 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2g35 n PRO 59 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2g35 n LYS 60 N 0.64 0.00 -3.94 0.54 2.85 -1.08 -4.73 118.16 112.44 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 0.02 -0.26 -0.08 0.00 -0.65 0.00 0.00 35.03 34.06 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 -1.61 0.19 -0.01 -5.58 0.15 -1.08 0.27 113.70 106.02 2g35 s SER 61 Ca 0.00 -0.80 0.08 0.00 0.70 0.00 0.00 55.95 55.93 2g35 s SER 61 Cb 0.00 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 2g35 s SER 61 CO 0.00 -0.74 -0.24 0.12 1.20 0.00 0.00 173.24 173.58 2g35 s PHE 62 N -3.91 2.16 0.02 3.44 5.36 -0.51 -1.17 117.98 123.37 2g35 s PHE 62 Ca 0.09 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 55.69 2g35 s PHE 62 Cb 0.05 -1.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.33 2g35 s PHE 62 CO -0.08 -0.02 -0.13 0.99 -1.46 0.00 0.00 175.22 174.52 2g35 s THR 63 N -0.59 0.99 0.08 0.12 2.01 -0.84 -1.90 115.64 115.52 2g35 s THR 63 Ca 0.09 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2g35 s THR 63 Cb -0.09 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 2g35 s THR 63 CO -0.01 0.06 -0.06 -1.48 -0.69 0.00 0.00 174.62 172.44 2g35 s LEU 64 N -0.86 2.46 -0.09 4.42 2.34 -0.96 -1.29 118.68 124.69 2g35 s LEU 64 Ca 0.02 -0.91 0.00 0.00 0.06 0.00 0.00 54.13 53.30 2g35 s LEU 64 Cb -0.07 -0.06 0.02 0.00 -0.56 0.00 0.00 46.19 45.53 2g35 s LEU 64 CO 0.01 -0.43 -0.08 -0.62 -1.06 0.00 0.00 176.35 174.17 2g35 s ASP 65 N -2.74 1.85 0.00 1.48 2.15 -0.18 -2.35 116.67 116.88 2g35 s ASP 65 Ca 0.07 -0.26 0.27 0.00 0.43 0.00 0.00 52.55 53.06 2g35 s ASP 65 Cb 0.03 -0.74 0.75 0.00 -0.30 0.00 0.00 42.92 42.65 2g35 s ASP 65 CO -0.04 -0.08 1.57 0.49 -0.17 0.00 0.00 175.17 176.94 2g35 n PHE 66 N 4.56 0.00 -0.59 -5.34 3.72 -1.26 0.23 117.46 118.78 2g35 n PHE 66 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2g35 n PHE 66 Cb 0.51 -0.01 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 1.24 1.17 3.49 1.37 0.00 -1.26 -4.69 105.19 106.51 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 -2.95 6.46 0.28 1.61 1.01 -1.26 -4.87 116.67 116.95 2g35 s ASP 68 Ca 0.00 -1.53 0.01 0.00 0.71 0.00 0.00 52.55 51.73 2g35 s ASP 68 Cb 0.00 -2.46 0.65 0.00 1.01 0.00 0.00 42.92 42.12 2g35 s ASP 68 CO 0.00 -1.32 1.66 0.22 0.21 0.00 0.00 175.17 175.94 2g35 h TYR 69 N 9.34 0.38 -0.13 4.23 3.20 -1.91 0.57 116.97 132.65 2g35 h TYR 69 Ca 0.03 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.00 2g35 h TYR 69 Cb 1.03 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 2g35 h TYR 69 CO 1.15 -0.15 -0.32 -0.56 -1.64 0.00 0.00 178.16 176.63 2g35 h GLN 70 N 0.26 -0.39 -0.38 1.82 3.07 -2.02 -2.02 115.11 115.46 2g35 h GLN 70 Ca 0.52 0.03 -0.16 0.00 0.09 0.00 0.00 58.65 59.13 2g35 h GLN 70 Cb 1.00 0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.64 2g35 h GLN 70 CO -0.60 -0.26 -0.39 0.22 0.09 0.00 0.00 178.83 177.89 2g35 h ASP 71 N -0.40 0.98 -4.02 0.06 1.82 -1.42 -3.49 116.42 109.96 2g35 h ASP 71 Ca 0.09 -0.45 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 2g35 h ASP 71 Cb 0.55 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2g35 h ASP 71 CO -0.35 1.25 0.00 0.61 -1.61 0.00 0.00 179.24 179.13 2g35 n GLY 72 N 0.13 -2.25 3.79 -0.78 0.00 0.18 -4.89 105.19 101.38 2g35 n GLY 72 Ca -0.02 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.70 2.83 -0.23 1.61 2.02 -1.26 -4.60 117.35 117.02 2g35 s TYR 73 Ca 0.00 1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 58.18 2g35 s TYR 73 Cb 0.00 -2.98 0.07 0.00 -0.40 0.00 0.00 41.96 38.65 2g35 s TYR 73 CO 0.00 -1.53 0.03 -0.47 -1.57 0.00 0.00 175.55 172.01 2g35 s TYR 74 N -2.94 1.52 0.18 2.71 5.04 -0.99 -5.01 117.35 117.86 2g35 s TYR 74 Ca 0.60 -1.28 0.09 0.00 -2.44 0.00 0.00 57.07 54.03 2g35 s TYR 74 Cb -0.16 -1.32 -0.04 0.00 0.35 0.00 0.00 41.96 40.78 2g35 s TYR 74 CO 0.55 -0.71 -0.18 -1.54 -1.34 0.00 0.00 175.55 172.32 2g35 s SER 75 N 1.69 2.80 0.28 4.32 1.04 -1.26 -2.28 113.70 120.29 2g35 s SER 75 Ca 0.00 -0.90 -0.12 0.00 0.48 0.00 0.00 55.95 55.42 2g35 s SER 75 Cb -0.18 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2g35 s SER 75 CO -0.12 -0.04 0.52 0.68 0.98 0.00 0.00 173.24 175.27 2g35 s VAL 76 N -2.19 0.00 0.27 5.02 -7.23 -0.80 -4.99 120.40 110.48 2g35 s VAL 76 Ca 0.18 -1.38 -0.29 0.00 -1.81 0.00 0.00 61.98 58.68 2g35 s VAL 76 Cb -0.05 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 2g35 s VAL 76 CO 0.08 0.00 0.99 -1.10 -0.31 0.00 0.00 175.10 174.75 2g35 s GLN 77 N -3.66 4.75 -0.18 4.82 -0.21 0.72 -1.43 119.66 124.47 2g35 s GLN 77 Ca 0.23 1.56 -0.08 0.00 0.02 0.00 0.00 55.36 57.08 2g35 s GLN 77 Cb -0.01 -3.18 0.07 0.00 1.00 0.00 0.00 33.01 30.89 2g35 s GLN 77 CO 0.11 0.39 0.40 0.95 -2.12 0.00 0.00 175.29 175.02 2g35 s THR 78 N -1.24 -0.34 0.04 -0.19 -4.23 0.75 -1.93 115.64 108.49 2g35 s THR 78 Ca 0.43 0.14 0.31 0.00 -1.18 0.00 0.00 61.69 61.40 2g35 s THR 78 Cb -0.27 -0.62 0.36 0.00 1.34 0.00 0.00 72.50 73.32 2g35 s THR 78 CO 0.33 0.06 1.91 0.74 -0.54 0.00 0.00 174.62 177.13 2g35 h THR 79 N 5.90 0.08 -0.68 3.99 2.02 -1.85 -2.82 112.91 119.55 2g35 h THR 79 Ca -0.25 -0.67 -0.32 0.00 0.77 0.00 0.00 66.41 65.94 2g35 h THR 79 Cb 1.14 1.61 -0.28 0.00 -1.74 0.00 0.00 68.15 68.88 2g35 h THR 79 CO 0.20 0.03 -0.82 -1.84 0.37 0.00 0.00 175.52 173.47 2g35 n GLU 80 N -3.14 1.12 0.00 6.66 0.28 -1.26 -4.58 120.64 119.72 2g35 n GLU 80 Ca 0.01 -2.62 0.00 0.00 -0.16 0.00 0.00 57.16 54.39 2g35 n GLU 80 Cb 0.35 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.34 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g35 n GLY 81 N -0.14 -0.20 0.36 -1.84 0.00 -1.25 -2.26 105.19 99.86 2g35 n GLY 81 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.83 -0.73 1.61 4.81 -1.89 -2.34 114.58 115.21 2g35 h GLU 82 Ca 0.00 0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.44 2g35 h GLU 82 Cb 0.10 0.19 -0.10 0.00 0.63 0.00 0.00 28.75 29.57 2g35 h GLU 82 CO 0.00 -0.52 0.23 1.96 -0.73 0.00 0.00 179.01 179.95 2g35 h GLN 83 N -1.01 0.33 -0.77 1.92 4.20 -1.87 1.15 115.11 119.05 2g35 h GLN 83 Ca -0.09 -0.02 0.19 0.00 0.06 0.00 0.00 58.65 58.79 2g35 h GLN 83 Cb 0.70 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2g35 h GLN 83 CO 0.15 0.22 0.53 0.82 -0.67 0.00 0.00 178.83 179.88 2g35 h ILE 84 N 0.34 0.69 0.00 2.54 2.04 -1.64 1.76 117.51 123.24 2g35 h ILE 84 Ca 0.41 -0.07 -0.18 0.00 1.00 0.00 0.00 64.86 66.01 2g35 h ILE 84 Cb 0.66 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2g35 h ILE 84 CO -0.45 0.04 -1.09 0.00 0.00 0.00 0.00 178.15 176.65 2g35 h ALA 85 N 1.64 0.60 0.10 1.87 0.00 0.17 -2.54 119.26 121.10 2g35 h ALA 85 Ca 0.38 -0.86 -0.29 0.00 0.00 0.00 0.00 54.91 54.14 2g35 h ALA 85 Cb 1.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2g35 h ALA 85 CO -0.08 1.04 -1.45 0.37 0.00 0.00 0.00 179.25 179.14 2g35 h GLN 86 N 0.00 0.22 -0.26 0.00 4.15 0.28 0.75 115.11 120.25 2g35 h GLN 86 Ca -0.10 -0.38 -0.19 0.00 0.77 0.00 0.00 58.65 58.76 2g35 h GLN 86 Cb 1.65 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.48 2g35 h GLN 86 CO 0.08 1.09 -0.59 1.25 -1.93 0.00 0.00 178.83 178.73 2g35 h LEU 87 N 0.06 0.97 0.01 -2.39 5.85 0.23 -1.48 115.31 118.56 2g35 h LEU 87 Ca -0.21 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 2g35 h LEU 87 Cb 1.99 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.74 2g35 h LEU 87 CO 0.16 1.34 -0.01 0.40 -0.34 0.00 0.00 178.44 179.99 2g35 h ILE 88 N 0.65 1.52 0.00 4.05 2.04 -1.53 -2.84 117.51 121.39 2g35 h ILE 88 Ca 0.00 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.09 2g35 h ILE 88 Cb 1.20 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 2g35 h ILE 88 CO 0.13 0.45 0.06 0.00 0.00 0.00 0.00 178.15 178.79 2g35 h ALA 89 N 0.13 1.05 0.00 1.87 0.00 -0.89 0.16 119.26 121.58 2g35 h ALA 89 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2g35 h ALA 89 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2g35 h ALA 89 CO 0.00 -0.05 -1.27 0.78 0.00 0.00 0.00 179.25 178.71 2g35 h GLY 90 N 0.00 0.00 1.48 0.00 0.00 -1.14 -3.30 103.07 100.11 2g35 h GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2g35 h GLY 90 CO 0.00 0.00 -0.42 -0.97 0.00 0.00 0.00 176.54 175.15 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.74 -3.27 116.97 118.62 2g35 h TYR 91 Ca -0.14 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.45 2g35 h TYR 91 Cb 1.74 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.45 2g35 h TYR 91 CO 0.00 0.00 -1.00 0.82 -1.05 0.00 0.00 178.16 176.93 2g35 h ILE 92 N 0.00 1.25 0.00 -2.88 2.04 -1.55 -3.09 117.51 113.28 2g35 h ILE 92 Ca 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.99 2g35 h ILE 92 Cb 0.81 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 2g35 h ILE 92 CO 0.00 0.71 -0.45 0.44 0.00 0.00 0.00 178.15 178.85 2g35 h ASP 93 N 0.00 0.00 0.80 1.72 3.32 -1.65 -3.03 116.42 117.59 2g35 h ASP 93 Ca -0.06 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 2g35 h ASP 93 Cb 1.68 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.20 2g35 h ASP 93 CO 0.10 0.01 -1.30 0.40 -1.72 0.00 0.00 179.24 176.72 2g35 h ILE 94 N 0.00 0.87 0.19 0.35 2.04 -1.62 -3.15 117.51 116.20 2g35 h ILE 94 Ca 0.00 -2.50 -0.32 0.00 1.00 0.00 0.00 64.86 63.04 2g35 h ILE 94 Cb 0.97 2.35 0.02 0.00 -0.74 0.00 0.00 36.82 39.42 2g35 h ILE 94 CO 0.00 0.50 -1.54 0.16 0.00 0.00 0.00 178.15 177.26 2g35 h ILE 95 N 0.00 1.10 0.00 -0.67 3.07 -1.63 -3.19 117.51 116.19 2g35 h ILE 95 Ca -0.15 -2.55 -0.01 0.00 1.55 0.00 0.00 64.86 63.70 2g35 h ILE 95 Cb 1.72 2.88 -0.00 0.00 -0.27 0.00 0.00 36.82 41.15 2g35 h ILE 95 CO 0.07 0.81 -0.05 -0.07 -1.05 0.00 0.00 178.15 177.86 2g35 h LEU 96 N 0.01 0.00 0.07 0.16 3.38 -1.68 -1.37 115.31 115.88 2g35 h LEU 96 Ca -0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2g35 h LEU 96 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 2g35 h LEU 96 CO 0.19 0.05 -0.03 0.50 0.09 0.00 0.00 178.44 179.24 2g35 h LYS 97 N 0.00 -0.08 0.16 1.13 3.64 -1.60 -3.21 116.57 116.61 2g35 h LYS 97 Ca -0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2g35 h LYS 97 Cb 0.38 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2g35 h LYS 97 CO 0.01 -0.06 -0.08 0.87 -2.27 0.00 0.00 179.45 177.92 2g35 h LYS 98 N -0.93 -0.21 0.00 1.90 1.57 -1.57 -2.46 116.57 114.88 2g35 h LYS 98 Ca -0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2g35 h LYS 98 Cb 0.07 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2g35 h LYS 98 CO 0.01 0.09 0.02 0.36 -0.57 0.00 0.00 179.45 179.36 2g35 n LYS 99 N -5.05 0.00 0.00 3.15 2.85 -0.52 -5.12 118.16 113.47 2g35 n LYS 99 Ca -0.09 0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 2g35 n LYS 99 Cb 0.21 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 2g35 n LYS 99 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71