#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 -4.60 118.16 115.51 2g35 n LYS 2 Ca 0.00 0.29 -0.08 0.00 -0.51 0.00 0.00 58.31 58.01 2g35 n LYS 2 Cb 0.00 -4.13 0.09 0.00 -0.51 0.00 0.00 35.03 30.48 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 -1.17 0.36 -0.84 -0.18 -1.04 -1.26 -4.83 114.28 105.32 2g35 n THR 3 Ca -0.04 -2.05 0.00 0.00 -2.04 0.00 0.00 64.05 59.92 2g35 n THR 3 Cb 0.18 0.89 0.00 0.00 -1.82 0.00 0.00 70.33 69.57 2g35 n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2g35 n TYR 4 N -0.42 -2.92 -1.51 -1.42 4.02 -1.26 -4.77 117.16 108.88 2g35 n TYR 4 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 2g35 n TYR 4 Cb 0.84 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.06 2g35 n TYR 4 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2g35 n GLY 5 N 5.00 -0.30 3.25 2.72 0.00 -1.26 -4.84 105.19 109.76 2g35 n GLY 5 Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 13.06 1.76 -0.65 1.61 1.01 -1.26 -5.03 120.40 130.91 2g35 s VAL 6 Ca 0.84 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 2g35 s VAL 6 Cb -0.16 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.82 2g35 s VAL 6 CO 0.16 0.48 0.97 -0.44 0.00 0.00 0.00 175.10 176.28 2g35 s SER 7 N -0.56 6.19 -0.23 3.32 0.01 -1.26 -4.90 113.70 116.28 2g35 s SER 7 Ca 0.09 -0.89 -0.23 0.00 1.31 0.00 0.00 55.95 56.23 2g35 s SER 7 Cb -0.09 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2g35 s SER 7 CO -0.01 -1.42 0.73 0.72 0.41 0.00 0.00 173.24 173.67 2g35 s PHE 8 N 4.10 3.32 -0.15 2.43 -0.71 -1.25 -2.41 117.98 123.31 2g35 s PHE 8 Ca 0.24 1.01 -0.07 0.00 -1.04 0.00 0.00 56.93 57.07 2g35 s PHE 8 Cb -0.16 -2.94 -0.04 0.00 -1.21 0.00 0.00 43.02 38.67 2g35 s PHE 8 CO 0.12 -0.33 0.09 -0.06 -1.34 0.00 0.00 175.22 173.70 2g35 s PHE 9 N 2.52 3.38 -0.55 3.49 0.40 0.03 -4.71 117.98 122.54 2g35 s PHE 9 Ca 0.31 0.29 -0.28 0.00 -0.60 0.00 0.00 56.93 56.65 2g35 s PHE 9 Cb -0.16 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.40 2g35 s PHE 9 CO 0.09 0.42 1.12 -1.17 0.70 0.00 0.00 175.22 176.38 2g35 s LEU 10 N -0.28 3.63 0.08 -0.37 0.20 -1.26 -0.91 118.68 119.77 2g35 s LEU 10 Ca 0.09 0.11 0.09 0.00 0.69 0.00 0.00 54.13 55.11 2g35 s LEU 10 Cb -0.12 -3.19 -0.03 0.00 -0.43 0.00 0.00 46.19 42.41 2g35 s LEU 10 CO 0.01 -1.37 -0.21 0.68 -0.29 0.00 0.00 176.35 175.18 2g35 s VAL 11 N 4.61 2.61 0.15 1.68 -7.23 0.14 -4.72 120.40 117.65 2g35 s VAL 11 Ca 0.42 -1.40 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 2g35 s VAL 11 Cb -0.08 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2g35 s VAL 11 CO 0.26 0.24 0.07 -0.54 -0.31 0.00 0.00 175.10 174.82 2g35 s LYS 12 N -1.70 2.69 0.17 4.82 1.02 -0.63 0.99 119.74 127.10 2g35 s LYS 12 Ca 0.15 -0.93 0.07 0.00 0.02 0.00 0.00 55.97 55.28 2g35 s LYS 12 Cb -0.10 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 2g35 s LYS 12 CO 0.06 0.49 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.62 2g35 s GLU 13 N -2.90 1.22 -0.40 1.68 2.02 0.56 0.28 118.70 121.17 2g35 s GLU 13 Ca 0.29 -1.46 -0.08 0.00 0.02 0.00 0.00 54.97 53.74 2g35 s GLU 13 Cb -0.10 -1.07 0.07 0.00 0.10 0.00 0.00 34.13 33.13 2g35 s GLU 13 CO 0.21 0.19 0.21 0.15 0.02 0.00 0.00 175.26 176.04 2g35 s LYS 14 N -3.25 2.58 0.57 1.61 3.01 -1.26 0.21 119.74 123.21 2g35 s LYS 14 Ca 0.17 -1.39 -0.18 0.00 -1.01 0.00 0.00 55.97 53.56 2g35 s LYS 14 Cb -0.02 -3.68 -0.04 0.00 -1.01 0.00 0.00 37.83 33.07 2g35 s LYS 14 CO 0.05 -0.88 1.10 -1.64 0.51 0.00 0.00 175.35 174.50 2g35 s MET 15 N 1.41 3.28 0.00 1.68 -1.94 -1.25 -5.00 119.30 117.47 2g35 s MET 15 Ca 0.02 1.46 0.00 0.00 -1.71 0.00 0.00 55.69 55.46 2g35 s MET 15 Cb -0.22 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 34.61 2g35 s MET 15 CO 0.02 -0.88 0.00 0.36 -0.01 0.00 0.00 175.02 174.51 2g35 n LYS 16 N -1.64 0.00 -0.55 2.03 -0.00 -1.26 -3.08 118.16 113.65 2g35 n LYS 16 Ca 0.10 0.00 0.43 0.00 -0.00 0.00 0.00 58.31 58.85 2g35 n LYS 16 Cb 0.52 -0.32 0.67 0.00 -0.00 0.00 0.00 35.03 35.89 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 -0.84 3.65 2.58 0.00 -1.26 -4.07 105.19 105.25 2g35 n GLY 17 Ca 0.00 0.56 -0.37 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.54 4.04 0.00 1.61 3.01 -1.18 -4.89 119.74 117.80 2g35 s LYS 18 Ca -0.04 -0.28 0.25 0.00 -1.01 0.00 0.00 55.97 54.89 2g35 s LYS 18 Cb 0.22 -3.53 1.30 0.00 -1.01 0.00 0.00 37.83 34.81 2g35 s LYS 18 CO 0.72 0.04 1.85 0.09 0.51 0.00 0.00 175.35 178.56 2g35 n ASN 19 N 4.35 0.00 -2.79 2.83 3.02 -1.26 -3.91 115.26 117.51 2g35 n ASN 19 Ca -0.15 -0.16 -0.06 0.00 -0.03 0.00 0.00 54.58 54.18 2g35 n ASN 19 Cb 0.52 -0.25 0.05 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.25 -1.68 -4.38 3.52 3.00 -1.26 -4.94 118.16 111.16 2g35 n LYS 20 Ca 0.13 -0.34 -0.22 0.00 -0.00 0.00 0.00 58.31 57.88 2g35 n LYS 20 Cb 0.19 -0.34 -0.11 0.00 0.00 0.00 0.00 35.03 34.77 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 2.51 -0.23 3.14 1.02 -1.26 -4.02 118.68 119.84 2g35 s LEU 21 Ca 0.14 -0.95 0.01 0.00 0.02 0.00 0.00 54.13 53.36 2g35 s LEU 21 Cb -0.02 -0.89 0.05 0.00 0.02 0.00 0.00 46.19 45.36 2g35 s LEU 21 CO 0.11 -0.04 -0.09 -0.69 0.02 0.00 0.00 176.35 175.66 2g35 s VAL 22 N -2.37 1.75 0.63 -1.59 1.01 0.58 -4.85 120.40 115.56 2g35 s VAL 22 Ca 0.22 -1.23 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2g35 s VAL 22 Cb -0.04 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2g35 s VAL 22 CO 0.09 0.04 1.22 -2.65 0.00 0.00 0.00 175.10 173.81 2g35 n PRO 23 N 4.61 1.12 -3.68 2.72 -0.02 -1.26 -0.32 135.00 138.17 2g35 n PRO 23 Ca -0.14 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 2g35 n PRO 23 Cb 0.45 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 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 -3.17 0.67 -0.10 -0.52 6.06 0.28 -4.15 118.95 118.02 2g35 s ARG 24 Ca 0.80 0.51 -0.05 0.00 -2.50 0.00 0.00 55.73 54.49 2g35 s ARG 24 Cb -0.39 0.32 -0.04 0.00 0.06 0.00 0.00 34.95 34.90 2g35 s ARG 24 CO 0.43 -0.12 0.12 -0.51 -2.50 0.00 0.00 175.30 172.71 2g35 s LEU 25 N -0.17 4.22 -0.24 -0.88 1.43 0.70 0.28 118.68 124.02 2g35 s LEU 25 Ca -0.04 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2g35 s LEU 25 Cb -0.03 -2.09 0.07 0.00 0.03 0.00 0.00 46.19 44.17 2g35 s LEU 25 CO 0.02 0.38 -0.02 -0.22 0.23 0.00 0.00 176.35 176.75 2g35 s LEU 26 N -1.12 2.46 -0.11 1.79 2.96 -0.08 0.24 118.68 124.80 2g35 s LEU 26 Ca 0.16 -1.22 -0.23 0.00 -0.22 0.00 0.00 54.13 52.62 2g35 s LEU 26 Cb -0.12 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 2g35 s LEU 26 CO 0.06 -0.27 0.72 -0.83 -1.32 0.00 0.00 176.35 174.70 2g35 s GLY 27 N 1.46 2.39 -0.33 7.98 0.00 -0.28 -0.79 107.32 117.75 2g35 s GLY 27 Ca -0.03 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 2g35 s GLY 27 CO -0.08 1.32 0.13 -0.42 0.00 0.00 0.00 173.10 174.04 2g35 s ILE 28 N 1.32 4.10 0.64 0.90 -1.09 -1.01 0.23 121.20 126.28 2g35 s ILE 28 Ca 0.36 -0.89 0.04 0.00 -2.23 0.00 0.00 60.65 57.93 2g35 s ILE 28 Cb -0.17 -3.24 0.10 0.00 -1.58 0.00 0.00 42.46 37.57 2g35 s ILE 28 CO 0.15 -0.10 0.88 0.42 -1.23 0.00 0.00 174.94 175.06 2g35 s THR 29 N 1.48 2.21 -2.06 2.92 -4.23 0.12 -4.12 115.64 111.95 2g35 s THR 29 Ca 0.01 -0.78 0.19 0.00 -1.18 0.00 0.00 61.69 59.93 2g35 s THR 29 Cb -0.19 -2.42 0.52 0.00 1.34 0.00 0.00 72.50 71.75 2g35 s THR 29 CO 0.04 0.00 1.69 2.29 -0.54 0.00 0.00 174.62 178.10 2g35 n LYS 30 N -2.52 1.15 0.00 3.99 2.85 -1.26 -3.68 118.16 118.70 2g35 n LYS 30 Ca 0.15 -0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 2g35 n LYS 30 Cb 0.61 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 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 -0.56 0.00 -3.65 -1.58 1.02 -1.26 -4.79 120.64 109.81 2g35 n GLU 31 Ca 0.15 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2g35 n GLU 31 Cb 0.12 -0.36 -0.01 0.00 -0.02 0.00 0.00 31.44 31.17 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 -2.64 3.08 -0.10 0.00 1.01 0.19 0.12 120.40 122.06 2g35 s VAL 33 Ca 0.14 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2g35 s VAL 33 Cb 0.03 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2g35 s VAL 33 CO -0.02 0.50 0.10 -0.04 0.00 0.00 0.00 175.10 175.63 2g35 s MET 34 N 0.72 3.28 -0.15 2.72 1.00 0.63 -0.59 119.30 126.92 2g35 s MET 34 Ca -0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 55.69 55.22 2g35 s MET 34 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 34.83 31.59 2g35 s MET 34 CO 0.02 0.74 0.43 1.03 0.00 0.00 0.00 175.02 177.24 2g35 s ARG 35 N -1.09 4.28 -0.05 2.03 0.52 0.75 -1.12 118.95 124.26 2g35 s ARG 35 Ca 0.16 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.70 2g35 s ARG 35 Cb -0.12 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.91 2g35 s ARG 35 CO 0.05 0.09 -0.02 0.08 0.02 0.00 0.00 175.30 175.53 2g35 s VAL 36 N 0.86 0.38 0.50 3.52 1.01 0.14 0.28 120.40 127.08 2g35 s VAL 36 Ca 0.23 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 2g35 s VAL 36 Cb -0.15 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 2g35 s VAL 36 CO 0.09 0.21 1.10 -0.62 0.00 0.00 0.00 175.10 175.87 2g35 s ASP 37 N 1.24 6.09 0.14 3.32 -1.08 -0.58 0.25 116.67 126.05 2g35 s ASP 37 Ca -0.06 2.11 0.19 0.00 -0.52 0.00 0.00 52.55 54.27 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 -0.02 -0.96 0.96 -0.08 0.52 0.00 0.00 175.17 175.59 2g35 h GLU 38 N 1.57 0.00 0.00 4.34 4.22 -1.86 0.37 114.58 123.23 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2g35 h GLU 38 CO 0.59 0.17 -0.00 -0.22 -2.18 0.00 0.00 179.01 177.37 2g35 h LYS 39 N 0.00 -0.01 -0.01 1.92 3.64 -1.92 -3.33 116.57 116.86 2g35 h LYS 39 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2g35 h LYS 39 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2g35 h LYS 39 CO 0.03 0.74 -0.48 0.25 -2.27 0.00 0.00 179.45 177.72 2g35 n THR 40 N -4.73 0.00 -1.63 1.00 -2.24 -1.26 -4.93 114.28 100.48 2g35 n THR 40 Ca -0.09 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2g35 n THR 40 Cb 0.37 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 2g35 n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2g35 n LYS 41 N -0.05 -1.55 -3.74 -0.78 5.02 0.12 -4.90 118.16 112.28 2g35 n LYS 41 Ca 0.09 0.60 -0.20 0.00 -2.02 0.00 0.00 58.31 56.77 2g35 n LYS 41 Cb 0.46 -4.90 -0.02 0.00 -0.02 0.00 0.00 35.03 30.54 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 -3.51 3.15 -0.11 1.97 2.56 -1.25 -4.82 118.70 116.70 2g35 s GLU 42 Ca 0.00 -0.98 -0.24 0.00 0.00 0.00 0.00 54.97 53.75 2g35 s GLU 42 Cb 0.00 -2.77 -0.03 0.00 2.00 0.00 0.00 34.13 33.33 2g35 s GLU 42 CO 0.00 0.22 0.76 0.08 -0.56 0.00 0.00 175.26 175.76 2g35 s VAL 43 N -2.13 4.98 -0.12 3.70 1.01 -1.26 -1.53 120.40 125.05 2g35 s VAL 43 Ca 0.40 1.54 0.17 0.00 0.00 0.00 0.00 61.98 64.08 2g35 s VAL 43 Cb -0.09 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.96 2g35 s VAL 43 CO 0.29 0.16 0.19 -0.38 0.00 0.00 0.00 175.10 175.36 2g35 n ILE 44 N 4.18 0.76 -3.63 2.22 2.08 0.14 -4.95 119.36 120.17 2g35 n ILE 44 Ca 0.01 -0.63 -0.04 0.00 0.56 0.00 0.00 62.75 62.66 2g35 n ILE 44 Cb 0.50 -0.32 -0.01 0.00 -0.75 0.00 0.00 39.64 39.06 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 -2.74 0.79 0.05 0.38 0.74 -1.19 -4.95 119.66 112.73 2g35 s GLN 45 Ca -0.08 -0.38 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 2g35 s GLN 45 Cb 0.08 0.30 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 2g35 s GLN 45 CO 0.74 -0.35 -0.00 -1.21 -0.55 0.00 0.00 175.29 173.91 2g35 s GLU 46 N -2.93 0.56 0.04 1.67 2.02 -1.26 0.27 118.70 119.07 2g35 s GLU 46 Ca 0.10 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.06 2g35 s GLU 46 Cb 0.00 0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 2g35 s GLU 46 CO -0.03 -0.11 -0.04 -1.58 0.02 0.00 0.00 175.26 173.52 2g35 s TRP 47 N -3.29 0.44 0.22 1.61 0.51 0.25 -4.94 118.94 113.74 2g35 s TRP 47 Ca 0.01 -0.70 -0.26 0.00 -2.12 0.00 0.00 56.10 53.03 2g35 s TRP 47 Cb 0.03 -0.30 -0.09 0.00 -0.81 0.00 0.00 33.47 32.31 2g35 s TRP 47 CO -0.08 -0.22 0.84 -1.54 -0.51 0.00 0.00 176.95 175.44 2g35 s SER 48 N -1.99 7.39 0.24 2.95 1.04 -1.26 -0.64 113.70 121.42 2g35 s SER 48 Ca -0.07 1.72 -0.04 0.00 0.48 0.00 0.00 55.95 58.04 2g35 s SER 48 Cb -0.04 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.81 2g35 s SER 48 CO -0.04 0.12 1.75 -0.07 0.98 0.00 0.00 173.24 175.98 2g35 h LEU 49 N 3.91 0.89 0.00 2.42 3.38 -1.75 -1.11 115.31 123.04 2g35 h LEU 49 Ca -0.47 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2g35 h LEU 49 Cb 1.20 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2g35 h LEU 49 CO 0.66 0.90 0.00 0.35 0.09 0.00 0.00 178.44 180.44 2g35 n THR 50 N -4.23 0.49 0.02 0.22 -2.24 -1.26 -1.92 114.28 105.36 2g35 n THR 50 Ca 0.04 0.12 -0.04 0.00 -2.27 0.00 0.00 64.05 61.90 2g35 n THR 50 Cb 0.28 -0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 67.46 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 0.00 -2.54 3.42 -0.73 -1.58 -3.45 115.58 110.69 2g35 h ASN 51 Ca 0.00 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.63 2g35 h ASN 51 Cb 0.07 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.67 2g35 h ASN 51 CO 0.00 0.76 1.12 -0.63 -0.37 0.00 0.00 177.43 178.31 2g35 s ILE 52 N -2.79 3.23 -0.18 2.57 1.01 -0.81 -4.33 121.20 119.90 2g35 s ILE 52 Ca -0.03 0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.79 2g35 s ILE 52 Cb 0.08 -3.25 -0.19 0.00 0.01 0.00 0.00 42.46 39.11 2g35 s ILE 52 CO 0.81 -0.03 0.31 0.50 0.00 0.00 0.00 174.94 176.54 2g35 h LYS 53 N 9.62 0.00 -3.74 2.79 3.64 0.39 -3.48 116.57 125.79 2g35 h LYS 53 Ca -0.44 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.77 2g35 h LYS 53 Cb 1.21 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 2g35 h LYS 53 CO 0.94 0.88 -0.04 -0.98 -2.27 0.00 0.00 179.45 177.98 2g35 s ARG 54 N -2.29 1.97 0.29 1.90 1.70 -1.18 -4.97 118.95 116.37 2g35 s ARG 54 Ca -0.24 -1.60 -0.19 0.00 -0.47 0.00 0.00 55.73 53.23 2g35 s ARG 54 Cb 0.03 0.50 0.02 0.00 -0.57 0.00 0.00 34.95 34.94 2g35 s ARG 54 CO 0.56 -0.85 0.69 1.67 -1.08 0.00 0.00 175.30 176.30 2g35 s TRP 55 N -2.96 -0.04 -0.13 5.89 -2.14 -1.26 -0.64 118.94 117.66 2g35 s TRP 55 Ca 0.25 -0.43 -0.05 0.00 2.66 0.00 0.00 56.10 58.52 2g35 s TRP 55 Cb -0.02 0.64 0.06 0.00 -3.10 0.00 0.00 33.47 31.05 2g35 s TRP 55 CO 0.16 -1.25 0.27 0.00 -2.66 0.00 0.00 176.95 173.47 2g35 s ALA 56 N -3.68 -0.62 -0.41 2.67 0.00 -0.40 -4.96 121.76 114.36 2g35 s ALA 56 Ca 0.14 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.98 2g35 s ALA 56 Cb -0.05 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.23 2g35 s ALA 56 CO 0.08 -0.43 0.33 0.00 0.00 0.00 0.00 175.76 175.74 2g35 s ALA 57 N 1.87 3.47 0.40 0.00 0.00 -1.26 -1.87 121.76 124.36 2g35 s ALA 57 Ca -0.04 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.24 2g35 s ALA 57 Cb -0.11 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 2g35 s ALA 57 CO -0.09 -1.49 0.60 -1.12 0.00 0.00 0.00 175.76 173.66 2g35 s SER 58 N 1.72 6.06 0.00 0.00 0.01 0.15 -4.82 113.70 116.82 2g35 s SER 58 Ca 0.06 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2g35 s SER 58 Cb -0.19 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2g35 s SER 58 CO 0.11 -0.50 0.89 -0.81 0.41 0.00 0.00 173.24 173.34 2g35 n PRO 59 N -1.92 0.00 0.00 12.44 -0.04 -1.26 -3.13 135.00 141.10 2g35 n PRO 59 Ca -0.02 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2g35 n PRO 59 Cb 0.57 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.39 0.00 -4.33 0.54 2.85 -1.23 -4.73 118.16 109.87 2g35 n LYS 60 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 2g35 n LYS 60 Cb 0.03 -0.01 -0.10 0.00 -0.65 0.00 0.00 35.03 34.29 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 2.20 -0.00 -5.58 0.01 -1.11 0.27 113.70 109.48 2g35 s SER 61 Ca 0.00 -1.09 0.02 0.00 1.31 0.00 0.00 55.95 56.19 2g35 s SER 61 Cb 0.00 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 2g35 s SER 61 CO 0.00 -0.32 -0.07 0.12 0.41 0.00 0.00 173.24 173.38 2g35 s PHE 62 N -3.19 0.61 0.01 2.43 5.36 -0.52 0.34 117.98 123.02 2g35 s PHE 62 Ca 0.23 -0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 2g35 s PHE 62 Cb 0.02 -0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 42.31 2g35 s PHE 62 CO 0.06 -0.01 -0.06 0.99 -1.46 0.00 0.00 175.22 174.74 2g35 s THR 63 N -0.25 0.44 0.07 0.12 2.01 -0.78 -1.75 115.64 115.50 2g35 s THR 63 Ca 0.02 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2g35 s THR 63 Cb -0.03 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 2g35 s THR 63 CO -0.00 -0.10 -0.10 -1.48 -0.69 0.00 0.00 174.62 172.25 2g35 s LEU 64 N -0.72 2.33 -0.05 4.42 2.34 -0.93 -1.27 118.68 124.81 2g35 s LEU 64 Ca -0.03 -0.69 0.02 0.00 0.06 0.00 0.00 54.13 53.49 2g35 s LEU 64 Cb -0.05 -0.27 0.01 0.00 -0.56 0.00 0.00 46.19 45.32 2g35 s LEU 64 CO 0.00 -0.22 -0.11 -1.81 -1.06 0.00 0.00 176.35 173.15 2g35 s ASP 65 N -2.03 1.51 0.00 1.48 1.11 0.18 -2.64 116.67 116.28 2g35 s ASP 65 Ca -0.01 -0.24 0.25 0.00 0.18 0.00 0.00 52.55 52.72 2g35 s ASP 65 Cb -0.06 -0.59 0.37 0.00 1.07 0.00 0.00 42.92 43.71 2g35 s ASP 65 CO 0.00 0.04 1.36 0.49 1.18 0.00 0.00 175.17 178.24 2g35 n PHE 66 N 3.63 0.00 0.00 4.23 3.72 -1.26 0.28 117.46 128.07 2g35 n PHE 66 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 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 1.32 2.27 2.94 1.37 0.00 -1.26 -4.58 105.19 107.25 2g35 n GLY 67 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2g35 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g35 n ASP 68 N 0.00 4.39 -0.34 1.61 8.00 -1.26 -4.76 116.55 124.20 2g35 n ASP 68 Ca 0.00 -2.92 0.23 0.00 0.71 0.00 0.00 54.79 52.81 2g35 n ASP 68 Cb 0.00 -1.63 0.46 0.00 -0.02 0.00 0.00 41.12 39.93 2g35 n ASP 68 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2g35 h TYR 69 N 6.26 0.94 -0.28 1.24 3.20 -1.92 0.36 116.97 126.78 2g35 h TYR 69 Ca 0.50 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.45 2g35 h TYR 69 Cb 0.69 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 2g35 h TYR 69 CO 1.39 -0.15 0.02 -0.56 -1.64 0.00 0.00 178.16 177.22 2g35 h GLN 70 N 0.36 0.10 -0.33 1.82 3.07 -2.03 -0.80 115.11 117.30 2g35 h GLN 70 Ca 0.72 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 59.42 2g35 h GLN 70 Cb 1.62 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 29.13 2g35 h GLN 70 CO -0.59 0.07 0.03 0.22 0.09 0.00 0.00 178.83 178.65 2g35 h ASP 71 N 0.11 0.46 -4.90 0.06 3.58 -0.72 -3.48 116.42 111.52 2g35 h ASP 71 Ca 0.13 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2g35 h ASP 71 Cb 0.16 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2g35 h ASP 71 CO -0.21 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.27 2g35 n GLY 72 N -0.97 1.75 3.79 -0.78 0.00 -0.31 -5.02 105.19 103.65 2g35 n GLY 72 Ca 0.01 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 2g35 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g35 s TYR 73 N -2.87 2.24 -0.23 1.61 2.02 -1.26 -4.85 117.35 114.01 2g35 s TYR 73 Ca 0.00 0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 57.44 2g35 s TYR 73 Cb 0.00 -3.48 0.07 0.00 -0.40 0.00 0.00 41.96 38.15 2g35 s TYR 73 CO 0.00 -2.52 0.02 -0.47 -1.57 0.00 0.00 175.55 171.02 2g35 s TYR 74 N -3.33 1.57 0.14 2.71 5.04 -1.08 -5.02 117.35 117.38 2g35 s TYR 74 Ca 0.65 -1.30 0.07 0.00 -2.44 0.00 0.00 57.07 54.05 2g35 s TYR 74 Cb -0.13 -1.34 -0.04 0.00 0.35 0.00 0.00 41.96 40.80 2g35 s TYR 74 CO 0.53 -0.71 -0.15 -1.54 -1.34 0.00 0.00 175.55 172.34 2g35 s SER 75 N 1.67 2.28 0.28 4.32 1.04 -1.26 -2.19 113.70 119.84 2g35 s SER 75 Ca -0.00 -0.85 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 2g35 s SER 75 Cb -0.18 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2g35 s SER 75 CO -0.11 -0.12 0.51 0.68 0.98 0.00 0.00 173.24 175.19 2g35 s VAL 76 N -2.23 0.00 0.18 5.02 -7.23 -0.71 -5.00 120.40 110.43 2g35 s VAL 76 Ca 0.13 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 2g35 s VAL 76 Cb -0.04 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.47 2g35 s VAL 76 CO 0.04 0.00 1.01 -1.10 -0.31 0.00 0.00 175.10 174.74 2g35 s GLN 77 N -3.67 4.71 -0.13 4.82 -1.52 0.14 -1.44 119.66 122.57 2g35 s GLN 77 Ca 0.23 1.57 -0.05 0.00 -1.95 0.00 0.00 55.36 55.17 2g35 s GLN 77 Cb -0.01 -3.30 0.06 0.00 -0.22 0.00 0.00 33.01 29.54 2g35 s GLN 77 CO 0.11 0.26 0.26 0.95 -0.25 0.00 0.00 175.29 176.63 2g35 s THR 78 N -0.51 -0.40 0.42 -0.19 -4.23 0.77 -1.61 115.64 109.90 2g35 s THR 78 Ca 0.46 0.28 0.20 0.00 -1.18 0.00 0.00 61.69 61.44 2g35 s THR 78 Cb -0.27 -0.44 0.22 0.00 1.34 0.00 0.00 72.50 73.36 2g35 s THR 78 CO 0.33 0.12 2.00 0.74 -0.54 0.00 0.00 174.62 177.27 2g35 h THR 79 N 6.27 0.90 0.00 3.99 2.02 -1.85 -2.95 112.91 121.29 2g35 h THR 79 Ca -0.15 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.34 2g35 h THR 79 Cb 1.12 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2g35 h THR 79 CO 0.14 0.18 0.00 -0.62 0.37 0.00 0.00 175.52 175.59 2g35 n GLU 80 N -3.98 0.00 0.00 6.66 4.71 -1.26 -4.59 120.64 122.17 2g35 n GLU 80 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 2g35 n GLU 80 Cb 0.27 -0.46 0.00 0.00 -1.01 0.00 0.00 31.44 30.24 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2g35 n GLY 81 N 1.72 0.72 0.13 0.62 0.00 -1.26 -4.49 105.19 102.64 2g35 n GLY 81 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.21 -0.48 1.61 4.81 -1.88 -2.53 114.58 115.90 2g35 h GLU 82 Ca 0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2g35 h GLU 82 Cb 0.00 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 2g35 h GLU 82 CO 0.00 0.05 -0.09 1.96 -0.73 0.00 0.00 179.01 180.20 2g35 h GLN 83 N -1.01 0.03 -0.72 1.92 4.20 -1.97 1.59 115.11 119.13 2g35 h GLN 83 Ca -0.02 -0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.85 2g35 h GLN 83 Cb 0.36 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 2g35 h GLN 83 CO 0.04 0.02 0.49 0.82 -0.67 0.00 0.00 178.83 179.53 2g35 h ILE 84 N 0.03 0.74 0.00 2.54 2.04 -1.91 1.30 117.51 122.26 2g35 h ILE 84 Ca 0.23 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.88 2g35 h ILE 84 Cb 0.36 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2g35 h ILE 84 CO -0.47 0.05 -0.92 0.00 0.00 0.00 0.00 178.15 176.81 2g35 h ALA 85 N 1.66 0.65 0.14 1.87 0.00 0.16 -2.57 119.26 121.18 2g35 h ALA 85 Ca 0.35 -0.60 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 2g35 h ALA 85 Cb 1.00 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2g35 h ALA 85 CO -0.08 0.72 -1.57 0.37 0.00 0.00 0.00 179.25 178.69 2g35 h GLN 86 N 0.00 0.30 -0.19 0.00 4.15 0.63 -0.56 115.11 119.44 2g35 h GLN 86 Ca -0.07 -0.51 -0.19 0.00 0.77 0.00 0.00 58.65 58.65 2g35 h GLN 86 Cb 1.45 0.19 0.01 0.00 0.21 0.00 0.00 27.48 29.33 2g35 h GLN 86 CO 0.05 1.18 -0.63 1.25 -1.93 0.00 0.00 178.83 178.75 2g35 h LEU 87 N 0.08 0.89 0.06 -2.39 5.85 0.13 -1.53 115.31 118.40 2g35 h LEU 87 Ca -0.26 -0.59 -0.00 0.00 0.84 0.00 0.00 57.88 57.86 2g35 h LEU 87 Cb 2.04 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.81 2g35 h LEU 87 CO 0.17 1.33 -0.03 0.40 -0.34 0.00 0.00 178.44 179.97 2g35 h ILE 88 N 0.49 1.23 0.00 4.05 2.04 -1.56 -1.72 117.51 122.05 2g35 h ILE 88 Ca -0.02 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2g35 h ILE 88 Cb 1.25 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 2g35 h ILE 88 CO 0.13 0.26 0.08 0.00 0.00 0.00 0.00 178.15 178.62 2g35 h ALA 89 N 0.35 1.07 0.00 1.87 0.00 -1.12 -0.04 119.26 121.39 2g35 h ALA 89 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 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 -0.07 -1.54 0.78 0.00 0.00 0.00 179.25 178.44 2g35 h GLY 90 N 0.00 0.00 2.00 0.00 0.00 -0.74 -3.35 103.07 100.98 2g35 h GLY 90 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2g35 h GLY 90 CO 0.00 0.00 -0.70 -0.97 0.00 0.00 0.00 176.54 174.87 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.12 -3.17 116.97 119.32 2g35 h TYR 91 Ca -0.22 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.52 2g35 h TYR 91 Cb 1.89 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.63 2g35 h TYR 91 CO 0.00 0.70 -0.19 0.82 -1.05 0.00 0.00 178.16 178.44 2g35 h ILE 92 N 0.00 0.62 0.00 -2.88 2.04 -1.57 -2.31 117.51 113.42 2g35 h ILE 92 Ca -0.01 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2g35 h ILE 92 Cb 1.49 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2g35 h ILE 92 CO 0.09 0.18 -0.52 0.44 0.00 0.00 0.00 178.15 178.35 2g35 h ASP 93 N 0.00 0.00 1.00 1.72 3.32 -1.68 -3.14 116.42 117.64 2g35 h ASP 93 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2g35 h ASP 93 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2g35 h ASP 93 CO 0.02 0.06 -1.07 0.40 -1.72 0.00 0.00 179.24 176.94 2g35 h ILE 94 N 0.00 0.57 0.09 0.35 2.04 -1.46 -2.76 117.51 116.34 2g35 h ILE 94 Ca -0.01 -1.98 -0.28 0.00 1.00 0.00 0.00 64.86 63.59 2g35 h ILE 94 Cb 1.06 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 2g35 h ILE 94 CO 0.01 0.33 -1.39 0.16 0.00 0.00 0.00 178.15 177.25 2g35 h ILE 95 N 0.00 1.30 0.00 -0.67 3.07 -1.55 -3.29 117.51 116.38 2g35 h ILE 95 Ca -0.10 -2.96 -0.08 0.00 1.55 0.00 0.00 64.86 63.28 2g35 h ILE 95 Cb 1.47 2.78 -0.01 0.00 -0.27 0.00 0.00 36.82 40.79 2g35 h ILE 95 CO 0.05 0.83 -0.38 -0.07 -1.05 0.00 0.00 178.15 177.53 2g35 h LEU 96 N 0.05 0.00 -0.72 0.16 3.38 -1.66 -3.25 115.31 113.28 2g35 h LEU 96 Ca -0.18 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2g35 h LEU 96 Cb 1.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 2g35 h LEU 96 CO 0.16 0.36 -0.18 0.50 0.09 0.00 0.00 178.44 179.37 2g35 h LYS 97 N 0.00 0.80 -0.09 1.13 3.11 -1.55 -1.30 116.57 118.67 2g35 h LYS 97 Ca -0.01 -0.30 -0.01 0.00 -2.81 0.00 0.00 60.65 57.52 2g35 h LYS 97 Cb 1.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.46 2g35 h LYS 97 CO 0.05 0.92 -0.00 0.87 -2.81 0.00 0.00 179.45 178.47 2g35 h LYS 98 N 0.71 0.16 -0.78 1.90 1.79 -1.62 -3.04 116.57 115.69 2g35 h LYS 98 Ca 0.11 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2g35 h LYS 98 Cb 0.68 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.28 2g35 h LYS 98 CO 0.05 0.43 0.50 0.87 -1.08 0.00 0.00 179.45 180.21 2g35 h LYS 99 N -0.13 1.03 0.00 3.15 1.57 -1.58 -3.53 116.57 117.09 2g35 h LYS 99 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2g35 h LYS 99 Cb 0.36 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2g35 h LYS 99 CO 0.00 0.70 0.00 1.17 -0.57 0.00 0.00 179.45 180.76