#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 0.13 -2.70 3.23 4.01 -1.26 -3.84 118.16 117.73 2g35 n LYS 2 Ca 0.00 0.52 -0.06 0.00 -0.51 0.00 0.00 58.31 58.25 2g35 n LYS 2 Cb 0.00 -1.84 0.10 0.00 -0.51 0.00 0.00 35.03 32.78 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 -2.10 0.00 -0.60 -0.18 -1.04 -1.26 -5.13 114.28 103.96 2g35 n THR 3 Ca 0.00 -1.11 -0.31 0.00 -2.04 0.00 0.00 64.05 60.59 2g35 n THR 3 Cb 0.11 1.26 0.20 0.00 -1.82 0.00 0.00 70.33 70.09 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 0.33 -1.46 -0.77 -1.42 4.11 -1.25 -3.49 117.16 113.21 2g35 n TYR 4 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 2g35 n TYR 4 Cb 0.73 -1.58 0.00 0.00 -0.00 0.00 0.00 39.34 38.49 2g35 n TYR 4 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2g35 n GLY 5 N 1.79 0.77 3.72 -7.48 0.00 -1.26 -5.03 105.19 97.70 2g35 n GLY 5 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.88 4.54 -0.41 1.61 1.01 -1.23 -5.06 120.40 117.99 2g35 s VAL 6 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 2g35 s VAL 6 Cb 0.00 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2g35 s VAL 6 CO 0.00 0.60 1.09 -0.44 0.00 0.00 0.00 175.10 176.35 2g35 s SER 7 N -0.94 6.74 0.08 3.32 0.01 -1.25 -4.83 113.70 116.84 2g35 s SER 7 Ca 0.14 0.67 -0.11 0.00 1.31 0.00 0.00 55.95 57.96 2g35 s SER 7 Cb -0.11 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 2g35 s SER 7 CO 0.03 -1.08 0.43 0.72 0.41 0.00 0.00 173.24 173.75 2g35 s PHE 8 N 4.05 3.60 -0.07 2.43 -0.12 -1.26 -1.04 117.98 125.58 2g35 s PHE 8 Ca 0.46 0.85 0.02 0.00 -0.05 0.00 0.00 56.93 58.21 2g35 s PHE 8 Cb -0.09 -2.20 0.01 0.00 -0.63 0.00 0.00 43.02 40.10 2g35 s PHE 8 CO 0.24 0.51 -0.14 -0.06 -0.05 0.00 0.00 175.22 175.73 2g35 s PHE 9 N -1.38 1.61 -0.20 3.49 0.40 -0.75 -4.79 117.98 116.36 2g35 s PHE 9 Ca 0.33 -0.63 -0.29 0.00 -0.60 0.00 0.00 56.93 55.74 2g35 s PHE 9 Cb -0.14 -1.17 -0.00 0.00 0.51 0.00 0.00 43.02 42.21 2g35 s PHE 9 CO 0.18 -0.31 1.16 -1.17 0.70 0.00 0.00 175.22 175.78 2g35 s LEU 10 N 0.69 4.13 0.09 -0.37 0.20 -1.26 -1.22 118.68 120.95 2g35 s LEU 10 Ca -0.14 1.53 0.04 0.00 0.69 0.00 0.00 54.13 56.26 2g35 s LEU 10 Cb -0.16 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.03 2g35 s LEU 10 CO 0.04 -0.73 -0.12 0.68 -0.29 0.00 0.00 176.35 175.92 2g35 s VAL 11 N 3.40 1.04 -0.13 1.68 -7.23 0.14 -4.83 120.40 114.47 2g35 s VAL 11 Ca 0.50 -1.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 2g35 s VAL 11 Cb -0.18 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 2g35 s VAL 11 CO 0.11 -0.44 -0.00 -0.54 -0.31 0.00 0.00 175.10 173.92 2g35 s LYS 12 N -2.43 3.41 0.27 4.82 1.02 -0.99 0.14 119.74 125.97 2g35 s LYS 12 Ca 0.03 -0.43 0.07 0.00 0.02 0.00 0.00 55.97 55.66 2g35 s LYS 12 Cb -0.05 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 2g35 s LYS 12 CO 0.01 0.46 0.22 -1.21 -0.92 0.00 0.00 175.35 173.92 2g35 s GLU 13 N -0.22 2.91 -0.25 1.68 2.02 0.26 -0.20 118.70 124.88 2g35 s GLU 13 Ca 0.05 -1.09 -0.12 0.00 0.02 0.00 0.00 54.97 53.83 2g35 s GLU 13 Cb -0.12 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.50 2g35 s GLU 13 CO 0.02 0.34 0.22 0.15 0.02 0.00 0.00 175.26 176.01 2g35 s LYS 14 N -3.88 4.03 0.63 1.61 -0.14 -1.26 0.13 119.74 120.86 2g35 s LYS 14 Ca 0.35 -0.20 -0.16 0.00 -1.36 0.00 0.00 55.97 54.59 2g35 s LYS 14 Cb -0.08 -3.60 -0.01 0.00 -1.68 0.00 0.00 37.83 32.46 2g35 s LYS 14 CO 0.25 -0.08 1.12 -1.64 -0.76 0.00 0.00 175.35 174.25 2g35 s MET 15 N 1.47 2.92 0.00 1.68 -1.94 -1.25 -4.93 119.30 117.25 2g35 s MET 15 Ca 0.09 1.48 0.00 0.00 -1.71 0.00 0.00 55.69 55.56 2g35 s MET 15 Cb -0.15 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.73 2g35 s MET 15 CO 0.08 -1.17 0.20 1.63 -0.01 0.00 0.00 175.02 175.74 2g35 n LYS 16 N -2.11 0.00 -0.00 2.03 4.01 -1.26 -3.56 118.16 117.27 2g35 n LYS 16 Ca 0.11 0.20 0.01 0.00 -0.51 0.00 0.00 58.31 58.12 2g35 n LYS 16 Cb 0.52 -0.35 -0.01 0.00 -0.51 0.00 0.00 35.03 34.67 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 -0.75 0.33 3.69 0.72 0.00 -1.26 -5.00 105.19 102.92 2g35 n GLY 17 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2g35 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g35 s LYS 18 N -1.69 4.19 0.00 1.61 -0.14 -1.23 -4.76 119.74 117.70 2g35 s LYS 18 Ca -0.00 2.38 0.08 0.00 -1.36 0.00 0.00 55.97 57.06 2g35 s LYS 18 Cb 0.01 -3.62 0.43 0.00 -1.68 0.00 0.00 37.83 32.97 2g35 s LYS 18 CO 0.09 -0.76 0.97 0.09 -0.76 0.00 0.00 175.35 174.98 2g35 n ASN 19 N 5.69 0.00 -2.95 2.83 3.02 -1.26 -4.10 115.26 118.49 2g35 n ASN 19 Ca 0.16 -0.10 -0.11 0.00 -0.03 0.00 0.00 54.58 54.50 2g35 n ASN 19 Cb 0.40 -0.10 0.10 0.00 -0.61 0.00 0.00 39.78 39.57 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 -1.10 -2.14 -4.16 3.52 3.00 -1.26 -4.97 118.16 111.05 2g35 n LYS 20 Ca 0.05 -0.64 -0.11 0.00 -0.00 0.00 0.00 58.31 57.62 2g35 n LYS 20 Cb 0.04 -0.64 -0.10 0.00 0.00 0.00 0.00 35.03 34.32 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 2.48 -0.18 3.14 1.43 -1.26 -3.97 118.68 120.32 2g35 s LEU 21 Ca 0.27 -0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2g35 s LEU 21 Cb -0.03 -0.08 0.04 0.00 0.03 0.00 0.00 46.19 46.16 2g35 s LEU 21 CO 0.21 -0.44 -0.07 -0.69 0.23 0.00 0.00 176.35 175.59 2g35 s VAL 22 N -3.39 1.30 0.57 -1.59 1.01 0.35 -4.85 120.40 113.79 2g35 s VAL 22 Ca 0.09 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 2g35 s VAL 22 Cb 0.04 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2g35 s VAL 22 CO -0.04 0.12 1.17 -2.65 0.00 0.00 0.00 175.10 173.71 2g35 n PRO 23 N 4.80 1.30 -3.68 2.72 -0.02 -1.26 0.89 135.00 139.76 2g35 n PRO 23 Ca -0.13 0.49 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 2g35 n PRO 23 Cb 0.47 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 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 -2.81 0.75 -0.09 -0.52 6.06 0.37 -3.91 118.95 118.79 2g35 s ARG 24 Ca 0.74 0.20 -0.03 0.00 -2.50 0.00 0.00 55.73 54.13 2g35 s ARG 24 Cb -0.43 0.35 -0.03 0.00 0.06 0.00 0.00 34.95 34.90 2g35 s ARG 24 CO 0.48 -0.19 0.04 -0.51 -2.50 0.00 0.00 175.30 172.62 2g35 s LEU 25 N -0.81 3.79 -0.27 -0.88 1.43 0.22 0.26 118.68 122.42 2g35 s LEU 25 Ca -0.09 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2g35 s LEU 25 Cb -0.03 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.37 2g35 s LEU 25 CO 0.05 0.38 -0.05 -0.22 0.23 0.00 0.00 176.35 176.74 2g35 s LEU 26 N -0.94 3.28 -0.15 1.79 2.96 -0.36 -1.37 118.68 123.90 2g35 s LEU 26 Ca 0.14 -1.46 -0.29 0.00 -0.22 0.00 0.00 54.13 52.30 2g35 s LEU 26 Cb -0.11 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 2g35 s LEU 26 CO 0.03 -0.25 1.04 -0.83 -1.32 0.00 0.00 176.35 175.02 2g35 s GLY 27 N 1.20 2.10 -0.37 7.98 0.00 -0.08 -1.82 107.32 116.34 2g35 s GLY 27 Ca -0.03 0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.89 2g35 s GLY 27 CO -0.07 2.04 0.23 -0.42 0.00 0.00 0.00 173.10 174.88 2g35 s ILE 28 N 2.46 4.84 0.52 0.90 -1.09 -0.20 0.28 121.20 128.91 2g35 s ILE 28 Ca 0.47 -0.68 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 2g35 s ILE 28 Cb -0.18 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2g35 s ILE 28 CO 0.14 -0.19 0.72 -0.89 -1.23 0.00 0.00 174.94 173.49 2g35 s THR 29 N 1.61 2.72 -1.85 2.92 2.01 0.39 -3.82 115.64 119.62 2g35 s THR 29 Ca 0.04 -0.77 0.28 0.00 0.31 0.00 0.00 61.69 61.55 2g35 s THR 29 Cb -0.19 -2.95 0.73 0.00 0.01 0.00 0.00 72.50 70.11 2g35 s THR 29 CO 0.08 0.00 2.03 2.29 -0.69 0.00 0.00 174.62 178.33 2g35 n LYS 30 N -2.22 0.77 0.00 4.92 2.85 -1.26 -3.54 118.16 119.68 2g35 n LYS 30 Ca 0.09 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2g35 n LYS 30 Cb 0.60 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.48 2g35 n LYS 30 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2g35 n GLU 31 N -1.08 0.00 -3.58 -1.58 1.02 -1.26 -4.90 120.64 109.27 2g35 n GLU 31 Ca 0.19 -0.22 -0.05 0.00 -0.02 0.00 0.00 57.16 57.06 2g35 n GLU 31 Cb 0.13 -0.35 -0.02 0.00 -0.02 0.00 0.00 31.44 31.18 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 -2.62 4.19 -0.14 0.00 1.01 -0.11 0.15 120.40 122.89 2g35 s VAL 33 Ca 0.09 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2g35 s VAL 33 Cb -0.01 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2g35 s VAL 33 CO -0.06 0.54 0.09 -0.04 0.00 0.00 0.00 175.10 175.63 2g35 s MET 34 N -0.18 3.55 -0.24 2.72 1.00 0.79 -0.40 119.30 126.54 2g35 s MET 34 Ca 0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 55.69 55.32 2g35 s MET 34 Cb -0.13 -3.13 -0.03 0.00 0.00 0.00 0.00 34.83 31.54 2g35 s MET 34 CO 0.02 0.59 0.45 1.03 0.00 0.00 0.00 175.02 177.12 2g35 s ARG 35 N -0.51 4.09 -0.05 2.03 0.52 0.89 -0.90 118.95 125.02 2g35 s ARG 35 Ca 0.11 0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 55.55 2g35 s ARG 35 Cb -0.12 -3.62 0.03 0.00 0.52 0.00 0.00 34.95 31.76 2g35 s ARG 35 CO 0.02 -0.24 -0.01 0.08 0.02 0.00 0.00 175.30 175.18 2g35 s VAL 36 N 1.94 0.34 0.54 3.52 1.01 -0.47 0.95 120.40 128.23 2g35 s VAL 36 Ca 0.20 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 2g35 s VAL 36 Cb -0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 2g35 s VAL 36 CO 0.09 0.22 1.19 -1.81 0.00 0.00 0.00 175.10 174.79 2g35 s ASP 37 N 1.47 5.58 0.12 3.32 1.01 -0.63 0.71 116.67 128.25 2g35 s ASP 37 Ca -0.03 2.35 0.18 0.00 0.71 0.00 0.00 52.55 55.76 2g35 s ASP 37 Cb -0.13 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.12 2g35 s ASP 37 CO -0.03 -1.32 0.93 -0.08 0.21 0.00 0.00 175.17 174.88 2g35 h GLU 38 N 1.31 0.00 0.10 8.23 4.22 -1.86 0.58 114.58 127.16 2g35 h GLU 38 Ca -0.50 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.93 2g35 h GLU 38 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2g35 h GLU 38 CO 0.57 0.23 -0.05 -0.22 -2.18 0.00 0.00 179.01 177.36 2g35 h LYS 39 N 0.00 -0.13 -0.01 1.92 3.64 -1.91 -3.31 116.57 116.76 2g35 h LYS 39 Ca -0.11 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2g35 h LYS 39 Cb 1.43 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 2g35 h LYS 39 CO 0.04 0.34 -0.57 0.25 -2.27 0.00 0.00 179.45 177.24 2g35 n THR 40 N -4.90 0.00 -1.75 1.00 -2.24 -1.26 -4.93 114.28 100.20 2g35 n THR 40 Ca -0.08 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 2g35 n THR 40 Cb 0.27 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.37 -1.61 -3.74 -0.78 5.02 0.20 -4.91 118.16 111.95 2g35 n LYS 41 Ca 0.08 0.68 -0.20 0.00 -2.02 0.00 0.00 58.31 56.85 2g35 n LYS 41 Cb 0.43 -5.04 -0.02 0.00 -0.02 0.00 0.00 35.03 30.38 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 -3.76 3.20 -0.10 1.97 2.56 -1.24 -4.56 118.70 116.77 2g35 s GLU 42 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 54.97 53.80 2g35 s GLU 42 Cb 0.00 -2.80 -0.03 0.00 2.00 0.00 0.00 34.13 33.30 2g35 s GLU 42 CO 0.00 0.24 0.71 0.08 -0.56 0.00 0.00 175.26 175.73 2g35 s VAL 43 N -2.10 5.01 -0.18 3.70 1.01 -1.26 -1.60 120.40 124.98 2g35 s VAL 43 Ca 0.39 1.44 0.14 0.00 0.00 0.00 0.00 61.98 63.95 2g35 s VAL 43 Cb -0.09 -4.04 -0.20 0.00 0.00 0.00 0.00 36.38 32.04 2g35 s VAL 43 CO 0.29 0.19 0.03 -0.38 0.00 0.00 0.00 175.10 175.23 2g35 n ILE 44 N 4.07 1.20 -3.64 2.22 2.08 0.27 -4.94 119.36 120.62 2g35 n ILE 44 Ca -0.00 -0.70 -0.04 0.00 0.56 0.00 0.00 62.75 62.57 2g35 n ILE 44 Cb 0.51 -0.64 -0.01 0.00 -0.75 0.00 0.00 39.64 38.74 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 -2.42 0.80 0.11 0.38 0.74 -1.10 -4.96 119.66 113.22 2g35 s GLN 45 Ca -0.11 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 54.92 2g35 s GLN 45 Cb 0.05 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.43 2g35 s GLN 45 CO 0.68 -0.36 -0.07 -1.21 -0.55 0.00 0.00 175.29 173.77 2g35 s GLU 46 N -2.94 0.90 0.04 1.67 2.02 -1.26 0.30 118.70 119.43 2g35 s GLU 46 Ca 0.10 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.72 2g35 s GLU 46 Cb 0.00 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.88 2g35 s GLU 46 CO -0.03 0.01 -0.04 -1.58 0.02 0.00 0.00 175.26 173.64 2g35 s TRP 47 N -3.54 0.41 0.18 1.61 0.52 0.47 -4.94 118.94 113.65 2g35 s TRP 47 Ca 0.13 -0.70 -0.22 0.00 0.02 0.00 0.00 56.10 55.33 2g35 s TRP 47 Cb 0.05 -0.29 -0.08 0.00 -1.15 0.00 0.00 33.47 32.00 2g35 s TRP 47 CO -0.03 -0.23 0.73 -1.54 0.02 0.00 0.00 176.95 175.89 2g35 s SER 48 N -1.98 7.19 0.47 2.95 1.04 -1.26 -0.93 113.70 121.18 2g35 s SER 48 Ca -0.07 1.49 0.25 0.00 0.48 0.00 0.00 55.95 58.09 2g35 s SER 48 Cb -0.04 -2.44 1.15 0.00 0.10 0.00 0.00 66.02 64.78 2g35 s SER 48 CO -0.04 0.13 1.94 -0.07 0.98 0.00 0.00 173.24 176.18 2g35 h LEU 49 N 3.92 0.00 -0.01 2.42 3.38 -1.67 -1.49 115.31 121.86 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 0.20 -0.01 0.35 0.09 0.00 0.00 178.44 179.72 2g35 n THR 50 N -3.56 0.00 -0.01 0.22 -2.24 -1.26 -3.27 114.28 104.16 2g35 n THR 50 Ca -0.01 -0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 2g35 n THR 50 Cb 0.34 -0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 67.95 2g35 n THR 50 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2g35 h ASN 51 N 0.02 0.03 -2.29 3.42 2.35 -1.64 -3.45 115.58 114.01 2g35 h ASN 51 Ca 0.00 -0.05 -0.55 0.00 -0.55 0.00 0.00 56.30 55.15 2g35 h ASN 51 Cb 0.31 -0.01 0.02 0.00 0.05 0.00 0.00 38.32 38.69 2g35 h ASN 51 CO 0.00 1.04 1.20 -0.38 -1.65 0.00 0.00 177.43 177.65 2g35 n ILE 52 N -3.11 0.72 -0.09 2.81 5.41 -1.20 -4.39 119.36 119.50 2g35 n ILE 52 Ca -0.15 -0.13 -0.19 0.00 1.00 0.00 0.00 62.75 63.28 2g35 n ILE 52 Cb 1.04 -2.22 -0.12 0.00 -0.71 0.00 0.00 39.64 37.63 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 10.24 0.00 -3.61 0.38 3.64 0.34 -3.48 116.57 124.07 2g35 h LYS 53 Ca -0.50 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.72 2g35 h LYS 53 Cb 1.25 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 2g35 h LYS 53 CO 0.94 0.96 0.03 -0.98 -2.27 0.00 0.00 179.45 178.13 2g35 s ARG 54 N -2.30 2.10 0.27 1.90 1.70 -1.22 -4.97 118.95 116.42 2g35 s ARG 54 Ca -0.25 -1.64 -0.19 0.00 -0.47 0.00 0.00 55.73 53.19 2g35 s ARG 54 Cb 0.03 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.95 2g35 s ARG 54 CO 0.60 -0.93 0.65 1.67 -1.08 0.00 0.00 175.30 176.22 2g35 s TRP 55 N -2.62 -0.03 -0.25 5.89 -2.14 -1.26 -1.07 118.94 117.45 2g35 s TRP 55 Ca 0.24 -0.40 -0.02 0.00 2.66 0.00 0.00 56.10 58.58 2g35 s TRP 55 Cb -0.03 0.56 0.12 0.00 -3.10 0.00 0.00 33.47 31.03 2g35 s TRP 55 CO 0.17 -1.17 0.30 0.00 -2.66 0.00 0.00 176.95 173.59 2g35 s ALA 56 N -3.94 -0.62 -0.07 2.67 0.00 -0.48 -4.96 121.76 114.35 2g35 s ALA 56 Ca 0.14 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 2g35 s ALA 56 Cb -0.05 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2g35 s ALA 56 CO 0.08 -1.43 0.17 0.00 0.00 0.00 0.00 175.76 174.58 2g35 s ALA 57 N 2.41 3.90 0.07 0.00 0.00 -1.26 -2.23 121.76 124.65 2g35 s ALA 57 Ca 0.09 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 2g35 s ALA 57 Cb -0.15 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 2g35 s ALA 57 CO -0.21 0.66 0.13 -1.12 0.00 0.00 0.00 175.76 175.21 2g35 s SER 58 N -1.34 0.21 0.00 0.00 0.01 -0.69 -4.89 113.70 107.00 2g35 s SER 58 Ca 0.20 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2g35 s SER 58 Cb -0.12 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2g35 s SER 58 CO 0.09 -0.65 0.04 -0.81 0.41 0.00 0.00 173.24 172.32 2g35 n PRO 59 N 0.17 0.04 0.00 12.44 -0.04 -1.26 -2.64 135.00 143.71 2g35 n PRO 59 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2g35 n PRO 59 Cb 0.61 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.93 0.00 -4.06 0.54 2.85 -1.15 -4.78 118.16 112.49 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 0.02 -0.20 -0.08 0.00 -0.65 0.00 0.00 35.03 34.12 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 -2.12 0.06 -0.01 -5.58 0.01 -1.08 0.12 113.70 105.10 2g35 s SER 61 Ca 0.00 -1.07 0.05 0.00 1.31 0.00 0.00 55.95 56.24 2g35 s SER 61 Cb 0.00 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.67 2g35 s SER 61 CO 0.00 -0.94 -0.16 0.12 0.41 0.00 0.00 173.24 172.67 2g35 s PHE 62 N -4.05 1.45 0.02 2.43 5.36 -0.46 -1.69 117.98 121.04 2g35 s PHE 62 Ca 0.26 -0.28 0.03 0.00 -0.96 0.00 0.00 56.93 55.98 2g35 s PHE 62 Cb 0.04 -0.93 -0.02 0.00 -0.34 0.00 0.00 43.02 41.77 2g35 s PHE 62 CO 0.06 -0.01 -0.11 0.99 -1.46 0.00 0.00 175.22 174.69 2g35 s THR 63 N -0.43 0.83 0.08 0.12 2.01 -0.94 -1.77 115.64 115.52 2g35 s THR 63 Ca 0.06 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2g35 s THR 63 Cb -0.06 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2g35 s THR 63 CO -0.00 0.01 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.39 2g35 s LEU 64 N -0.83 2.43 -0.08 4.42 2.34 -0.95 -1.38 118.68 124.63 2g35 s LEU 64 Ca 0.00 -0.86 0.01 0.00 0.06 0.00 0.00 54.13 53.34 2g35 s LEU 64 Cb -0.06 -0.07 0.02 0.00 -0.56 0.00 0.00 46.19 45.52 2g35 s LEU 64 CO 0.00 -0.40 -0.09 -1.81 -1.06 0.00 0.00 176.35 173.00 2g35 s ASP 65 N -2.58 1.85 0.00 1.48 1.01 -0.23 -2.52 116.67 115.67 2g35 s ASP 65 Ca 0.05 -0.27 0.26 0.00 0.71 0.00 0.00 52.55 53.29 2g35 s ASP 65 Cb 0.01 -0.77 0.66 0.00 1.01 0.00 0.00 42.92 43.83 2g35 s ASP 65 CO -0.04 -0.05 1.52 0.49 0.21 0.00 0.00 175.17 177.29 2g35 n PHE 66 N 4.40 0.00 -0.23 4.23 3.72 -1.26 0.26 117.46 128.58 2g35 n PHE 66 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2g35 n PHE 66 Cb 0.51 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 1.28 1.86 3.48 1.37 0.00 -1.26 -4.66 105.19 107.26 2g35 n GLY 67 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2g35 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g35 s ASP 68 N -3.37 6.79 0.28 1.61 1.11 -1.26 -4.84 116.67 116.99 2g35 s ASP 68 Ca 0.00 -2.36 0.01 0.00 0.18 0.00 0.00 52.55 50.38 2g35 s ASP 68 Cb 0.00 -2.43 0.66 0.00 1.07 0.00 0.00 42.92 42.22 2g35 s ASP 68 CO 0.00 -1.00 1.69 0.22 1.18 0.00 0.00 175.17 177.25 2g35 h TYR 69 N 8.22 0.51 -0.02 4.23 3.20 -1.93 0.20 116.97 131.38 2g35 h TYR 69 Ca 0.24 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.18 2g35 h TYR 69 Cb 0.95 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 2g35 h TYR 69 CO 1.18 -0.08 -0.47 -0.56 -1.64 0.00 0.00 178.16 176.59 2g35 h GLN 70 N 0.34 -0.55 -0.01 1.82 -0.00 -2.03 0.20 115.11 114.88 2g35 h GLN 70 Ca 0.52 0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 59.21 2g35 h GLN 70 Cb 0.98 0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 28.58 2g35 h GLN 70 CO -0.54 -0.37 -0.00 0.22 -0.00 0.00 0.00 178.83 178.14 2g35 h ASP 71 N -0.57 0.01 -4.07 0.06 1.82 -1.59 -3.48 116.42 108.61 2g35 h ASP 71 Ca 0.01 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2g35 h ASP 71 Cb 0.62 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.63 2g35 h ASP 71 CO -0.33 0.02 0.00 0.61 -1.61 0.00 0.00 179.24 177.93 2g35 n GLY 72 N -1.52 -1.52 3.73 -0.78 0.00 0.70 -4.92 105.19 100.88 2g35 n GLY 72 Ca -0.03 -1.55 -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 -1.64 2.35 -0.24 1.61 2.02 -1.26 -4.76 117.35 115.43 2g35 s TYR 73 Ca 0.00 1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 57.70 2g35 s TYR 73 Cb 0.00 -3.26 0.07 0.00 -0.40 0.00 0.00 41.96 38.37 2g35 s TYR 73 CO 0.00 -2.51 0.03 -0.47 -1.57 0.00 0.00 175.55 171.03 2g35 s TYR 74 N -3.07 1.59 0.18 2.71 5.04 -1.05 -5.02 117.35 117.73 2g35 s TYR 74 Ca 0.64 -1.34 0.09 0.00 -2.44 0.00 0.00 57.07 54.02 2g35 s TYR 74 Cb -0.17 -1.37 -0.04 0.00 0.35 0.00 0.00 41.96 40.73 2g35 s TYR 74 CO 0.56 -0.73 -0.18 -1.54 -1.34 0.00 0.00 175.55 172.32 2g35 s SER 75 N 1.67 2.79 0.21 4.32 1.04 -1.26 -2.23 113.70 120.23 2g35 s SER 75 Ca 0.01 -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 65.77 2g35 s SER 75 CO -0.12 -0.04 0.41 0.68 0.98 0.00 0.00 173.24 175.16 2g35 s VAL 76 N -2.18 0.03 0.27 5.02 -7.23 -0.73 -4.85 120.40 110.73 2g35 s VAL 76 Ca 0.18 -1.28 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 2g35 s VAL 76 Cb -0.05 -1.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 2g35 s VAL 76 CO 0.07 -0.13 0.96 -1.10 -0.31 0.00 0.00 175.10 174.60 2g35 s GLN 77 N -3.97 4.76 -0.17 4.82 -0.21 0.72 -1.35 119.66 124.25 2g35 s GLN 77 Ca 0.18 1.48 -0.08 0.00 0.02 0.00 0.00 55.36 56.97 2g35 s GLN 77 Cb 0.01 -3.14 0.07 0.00 1.00 0.00 0.00 33.01 30.95 2g35 s GLN 77 CO 0.03 0.42 0.38 0.95 -2.12 0.00 0.00 175.29 174.95 2g35 s THR 78 N -1.30 -0.26 0.42 -0.19 -4.23 0.32 -2.35 115.64 108.06 2g35 s THR 78 Ca 0.44 0.15 0.14 0.00 -1.18 0.00 0.00 61.69 61.24 2g35 s THR 78 Cb -0.25 -0.58 0.16 0.00 1.34 0.00 0.00 72.50 73.17 2g35 s THR 78 CO 0.31 0.06 1.95 0.74 -0.54 0.00 0.00 174.62 177.13 2g35 h THR 79 N 5.86 1.15 0.00 3.99 2.02 -1.87 -3.00 112.91 121.06 2g35 h THR 79 Ca -0.28 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2g35 h THR 79 Cb 1.15 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 2g35 h THR 79 CO 0.23 0.23 0.00 -0.62 0.37 0.00 0.00 175.52 175.73 2g35 n GLU 80 N -4.22 0.00 0.00 6.66 -0.58 -1.26 -4.34 120.64 116.89 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 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.82 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 2.12 1.35 0.20 0.62 0.00 -1.26 -4.26 105.19 103.97 2g35 n GLY 81 Ca 0.00 0.00 -0.10 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 -0.40 -0.57 1.61 4.81 -1.90 -2.42 114.58 115.71 2g35 h GLU 82 Ca 0.00 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 2g35 h GLU 82 Cb 0.00 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.37 2g35 h GLU 82 CO 0.00 -0.12 -0.02 1.96 -0.73 0.00 0.00 179.01 180.11 2g35 h GLN 83 N -1.01 0.10 -0.70 1.92 4.20 -1.97 1.76 115.11 119.40 2g35 h GLN 83 Ca -0.04 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.84 2g35 h GLN 83 Cb 0.47 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 2g35 h GLN 83 CO 0.07 0.07 0.49 0.82 -0.67 0.00 0.00 178.83 179.60 2g35 h ILE 84 N 0.10 0.71 0.00 2.54 2.04 -1.92 1.42 117.51 122.40 2g35 h ILE 84 Ca 0.29 -0.06 -0.25 0.00 1.00 0.00 0.00 64.86 65.85 2g35 h ILE 84 Cb 0.46 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2g35 h ILE 84 CO -0.50 0.03 -1.30 0.00 0.00 0.00 0.00 178.15 176.38 2g35 h ALA 85 N 1.66 0.52 0.06 1.87 0.00 0.26 -2.30 119.26 121.33 2g35 h ALA 85 Ca 0.34 -1.14 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 2g35 h ALA 85 Cb 1.12 0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2g35 h ALA 85 CO -0.06 1.39 -1.12 0.37 0.00 0.00 0.00 179.25 179.83 2g35 h GLN 86 N 0.00 0.59 -0.34 0.00 5.75 0.60 1.13 115.11 122.84 2g35 h GLN 86 Ca -0.13 -0.71 -0.15 0.00 -0.15 0.00 0.00 58.65 57.51 2g35 h GLN 86 Cb 1.87 0.22 -0.01 0.00 1.07 0.00 0.00 27.48 30.64 2g35 h GLN 86 CO 0.11 1.30 -0.38 1.25 -2.65 0.00 0.00 178.83 178.46 2g35 h LEU 87 N 0.30 0.87 0.02 -2.39 5.85 0.15 0.82 115.31 120.93 2g35 h LEU 87 Ca -0.14 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 2g35 h LEU 87 Cb 1.78 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.57 2g35 h LEU 87 CO 0.21 1.15 -0.01 0.40 -0.34 0.00 0.00 178.44 179.85 2g35 h ILE 88 N 0.67 1.47 0.00 4.05 2.04 -1.39 -2.74 117.51 121.62 2g35 h ILE 88 Ca 0.06 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2g35 h ILE 88 Cb 0.94 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 2g35 h ILE 88 CO 0.09 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.67 2g35 h ALA 89 N 0.09 1.00 0.00 1.87 0.00 0.13 -0.75 119.26 121.60 2g35 h ALA 89 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2g35 h ALA 89 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2g35 h ALA 89 CO 0.00 0.00 -1.32 0.78 0.00 0.00 0.00 179.25 178.72 2g35 h GLY 90 N 0.07 0.01 1.82 0.00 0.00 -0.71 -3.27 103.07 100.99 2g35 h GLY 90 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 47.33 47.08 2g35 h GLY 90 CO 0.00 0.02 -1.12 -0.97 0.00 0.00 0.00 176.54 174.47 2g35 h TYR 91 N 0.00 0.10 0.00 5.60 0.05 -0.84 -3.15 116.97 118.73 2g35 h TYR 91 Ca -0.13 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.51 2g35 h TYR 91 Cb 1.88 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.61 2g35 h TYR 91 CO 0.00 1.06 -0.31 0.82 -1.05 0.00 0.00 178.16 178.69 2g35 h ILE 92 N 0.02 0.98 0.00 -2.88 2.04 -1.55 -2.36 117.51 113.75 2g35 h ILE 92 Ca -0.06 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2g35 h ILE 92 Cb 1.83 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2g35 h ILE 92 CO 0.14 0.30 -0.53 0.44 0.00 0.00 0.00 178.15 178.50 2g35 h ASP 93 N 0.00 0.00 1.10 1.72 5.19 -1.60 -3.13 116.42 119.69 2g35 h ASP 93 Ca -0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 2g35 h ASP 93 Cb 0.64 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 2g35 h ASP 93 CO 0.04 0.07 -0.95 0.40 -3.12 0.00 0.00 179.24 175.68 2g35 h ILE 94 N 0.00 0.44 0.09 0.35 2.04 -1.41 -2.29 117.51 116.73 2g35 h ILE 94 Ca -0.01 -1.75 -0.29 0.00 1.00 0.00 0.00 64.86 63.81 2g35 h ILE 94 Cb 1.06 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 2g35 h ILE 94 CO 0.01 0.25 -1.47 0.16 0.00 0.00 0.00 178.15 177.10 2g35 h ILE 95 N 0.00 1.21 0.00 -0.67 3.07 -1.52 -3.28 117.51 116.32 2g35 h ILE 95 Ca -0.07 -2.88 -0.06 0.00 1.55 0.00 0.00 64.86 63.40 2g35 h ILE 95 Cb 1.35 2.74 -0.01 0.00 -0.27 0.00 0.00 36.82 40.63 2g35 h ILE 95 CO 0.04 0.81 -0.65 -0.07 -1.05 0.00 0.00 178.15 177.22 2g35 h LEU 96 N 0.05 0.00 -0.45 0.16 3.38 -1.65 -3.31 115.31 113.48 2g35 h LEU 96 Ca -0.21 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 2g35 h LEU 96 Cb 1.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 2g35 h LEU 96 CO 0.15 0.26 -0.47 0.50 0.09 0.00 0.00 178.44 178.97 2g35 h LYS 97 N 0.00 0.76 -0.56 1.13 3.11 -1.50 -2.43 116.57 117.08 2g35 h LYS 97 Ca -0.03 -0.44 -0.08 0.00 -2.81 0.00 0.00 60.65 57.30 2g35 h LYS 97 Cb 1.23 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.47 2g35 h LYS 97 CO 0.03 1.06 0.05 0.87 -2.81 0.00 0.00 179.45 178.65 2g35 h LYS 98 N 0.60 0.95 -0.33 1.90 1.79 -1.66 -2.97 116.57 116.86 2g35 h LYS 98 Ca 0.03 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 2g35 h LYS 98 Cb 1.04 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 2g35 h LYS 98 CO 0.10 0.93 0.14 0.87 -1.08 0.00 0.00 179.45 180.42 2g35 h LYS 99 N 0.84 0.48 -0.03 3.15 1.57 -1.63 -3.53 116.57 117.42 2g35 h LYS 99 Ca 0.16 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2g35 h LYS 99 Cb 0.47 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2g35 h LYS 99 CO 0.02 0.46 0.00 1.63 -0.57 0.00 0.00 179.45 180.99