#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 0.49 -2.68 1.47 4.01 -1.26 -2.89 118.16 117.30 2g35 n LYS 2 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 2g35 n LYS 2 Cb 0.00 -1.07 0.05 0.00 -0.51 0.00 0.00 35.03 33.50 2g35 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2g35 n THR 3 N -0.29 0.81 -3.31 -0.18 -1.04 -1.26 -4.88 114.28 104.13 2g35 n THR 3 Ca 0.00 -2.73 -0.38 0.00 -2.04 0.00 0.00 64.05 58.90 2g35 n THR 3 Cb 0.03 0.77 -0.07 0.00 -1.82 0.00 0.00 70.33 69.25 2g35 n THR 3 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2g35 s TYR 4 N -2.50 3.42 0.00 -1.42 6.14 -1.14 -3.92 117.35 117.93 2g35 s TYR 4 Ca 0.26 0.77 0.00 0.00 0.64 0.00 0.00 57.07 58.74 2g35 s TYR 4 Cb 0.44 -2.59 0.00 0.00 0.42 0.00 0.00 41.96 40.23 2g35 s TYR 4 CO 0.01 0.02 0.00 0.41 0.64 0.00 0.00 175.55 176.63 2g35 n GLY 5 N 3.66 2.85 3.73 8.97 0.00 -1.26 -4.98 105.19 118.16 2g35 n GLY 5 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.13 4.97 -0.42 1.61 1.01 -1.25 -4.99 120.40 119.18 2g35 s VAL 6 Ca 0.00 1.42 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 2g35 s VAL 6 Cb 0.00 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2g35 s VAL 6 CO 0.00 0.31 0.97 -0.44 0.00 0.00 0.00 175.10 175.94 2g35 s SER 7 N 0.43 6.61 -0.25 3.32 0.01 -1.24 -4.82 113.70 117.77 2g35 s SER 7 Ca 0.36 0.39 -0.19 0.00 1.31 0.00 0.00 55.95 57.82 2g35 s SER 7 Cb -0.18 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2g35 s SER 7 CO 0.19 -1.01 0.58 0.72 0.41 0.00 0.00 173.24 174.13 2g35 s PHE 8 N 3.77 3.29 -0.16 2.43 -0.71 -1.25 -2.15 117.98 123.20 2g35 s PHE 8 Ca 0.40 0.76 -0.07 0.00 -1.04 0.00 0.00 56.93 56.98 2g35 s PHE 8 Cb -0.10 -2.78 -0.04 0.00 -1.21 0.00 0.00 43.02 38.89 2g35 s PHE 8 CO 0.24 -0.28 0.09 -0.06 -1.34 0.00 0.00 175.22 173.87 2g35 s PHE 9 N 2.31 3.35 -0.55 3.49 0.40 0.18 -4.71 117.98 122.45 2g35 s PHE 9 Ca 0.24 0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 56.54 2g35 s PHE 9 Cb -0.16 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.38 2g35 s PHE 9 CO 0.09 0.35 1.11 -1.17 0.70 0.00 0.00 175.22 176.30 2g35 s LEU 10 N -0.11 3.67 0.16 -0.37 0.20 -1.26 -0.52 118.68 120.45 2g35 s LEU 10 Ca 0.08 0.06 0.10 0.00 0.69 0.00 0.00 54.13 55.07 2g35 s LEU 10 Cb -0.12 -3.15 -0.04 0.00 -0.43 0.00 0.00 46.19 42.45 2g35 s LEU 10 CO 0.01 -1.36 -0.22 0.68 -0.29 0.00 0.00 176.35 175.18 2g35 s VAL 11 N 4.56 2.55 0.20 1.68 -7.23 0.14 -4.83 120.40 117.47 2g35 s VAL 11 Ca 0.40 -1.79 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 2g35 s VAL 11 Cb -0.09 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 2g35 s VAL 11 CO 0.25 -0.01 0.10 -0.54 -0.31 0.00 0.00 175.10 174.59 2g35 s LYS 12 N -2.42 2.71 0.20 4.82 1.02 -0.95 0.12 119.74 125.26 2g35 s LYS 12 Ca 0.19 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 55.21 2g35 s LYS 12 Cb -0.09 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.67 2g35 s LYS 12 CO 0.10 0.44 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.64 2g35 s GLU 13 N -3.31 1.31 -0.37 1.68 2.02 0.85 -0.56 118.70 120.32 2g35 s GLU 13 Ca 0.31 -1.59 -0.08 0.00 0.02 0.00 0.00 54.97 53.62 2g35 s GLU 13 Cb -0.09 -1.03 0.05 0.00 0.10 0.00 0.00 34.13 33.16 2g35 s GLU 13 CO 0.22 0.14 0.16 0.15 0.02 0.00 0.00 175.26 175.96 2g35 s LYS 14 N -3.68 2.64 0.58 1.61 -0.14 -1.26 0.34 119.74 119.83 2g35 s LYS 14 Ca 0.23 -1.24 -0.18 0.00 -1.36 0.00 0.00 55.97 53.42 2g35 s LYS 14 Cb 0.00 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 2g35 s LYS 14 CO 0.06 -0.75 1.13 -1.64 -0.76 0.00 0.00 175.35 173.40 2g35 s MET 15 N 1.43 3.18 0.00 1.68 -1.94 -1.26 -4.78 119.30 117.61 2g35 s MET 15 Ca 0.00 1.58 0.00 0.00 -1.71 0.00 0.00 55.69 55.57 2g35 s MET 15 Cb -0.20 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.65 2g35 s MET 15 CO 0.03 -0.99 0.00 1.63 -0.01 0.00 0.00 175.02 175.69 2g35 n LYS 16 N -1.60 0.00 0.00 2.03 4.01 -1.26 -2.13 118.16 119.21 2g35 n LYS 16 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2g35 n LYS 16 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 2g35 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2g35 n GLY 17 N 0.00 0.35 3.65 0.72 0.00 -1.26 -5.09 105.19 103.55 2g35 n GLY 17 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 2g35 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g35 n LYS 18 N 0.00 1.13 0.00 1.61 4.76 -0.91 -4.69 118.16 120.06 2g35 n LYS 18 Ca 0.00 0.41 0.01 0.00 -2.87 0.00 0.00 58.31 55.85 2g35 n LYS 18 Cb 0.33 -2.07 0.03 0.00 -1.84 0.00 0.00 35.03 31.48 2g35 n LYS 18 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2g35 n ASN 19 N 3.85 0.00 -2.93 4.39 5.03 -1.26 -4.55 115.26 119.79 2g35 n ASN 19 Ca 0.22 0.31 -0.12 0.00 0.87 0.00 0.00 54.58 55.86 2g35 n ASN 19 Cb 0.16 -0.32 0.08 0.00 -1.02 0.00 0.00 39.78 38.68 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2g35 n LYS 20 N -1.32 -0.30 -4.13 3.52 3.00 -1.26 -5.12 118.16 112.56 2g35 n LYS 20 Ca 0.00 -1.00 -0.10 0.00 -0.00 0.00 0.00 58.31 57.21 2g35 n LYS 20 Cb 0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 35.03 34.43 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 2.45 -0.26 3.14 1.43 -1.26 -4.57 118.68 119.60 2g35 s LEU 21 Ca 0.32 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2g35 s LEU 21 Cb -0.01 -0.04 0.05 0.00 0.03 0.00 0.00 46.19 46.21 2g35 s LEU 21 CO 0.22 -0.43 -0.09 -0.69 0.23 0.00 0.00 176.35 175.59 2g35 s VAL 22 N -3.14 2.47 0.62 -1.59 1.01 0.15 -4.87 120.40 115.06 2g35 s VAL 22 Ca 0.06 -1.37 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 2g35 s VAL 22 Cb 0.02 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2g35 s VAL 22 CO -0.04 0.07 1.24 -2.65 0.00 0.00 0.00 175.10 173.71 2g35 n PRO 23 N 4.54 1.17 -3.70 2.72 -0.02 -1.26 -0.11 135.00 138.35 2g35 n PRO 23 Ca -0.15 0.45 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 2g35 n PRO 23 Cb 0.44 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 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 -3.16 0.63 -0.10 -0.52 6.06 0.33 -4.09 118.95 118.11 2g35 s ARG 24 Ca 0.79 0.57 -0.07 0.00 -2.50 0.00 0.00 55.73 54.52 2g35 s ARG 24 Cb -0.40 0.30 -0.04 0.00 0.06 0.00 0.00 34.95 34.88 2g35 s ARG 24 CO 0.43 -0.10 0.16 -0.51 -2.50 0.00 0.00 175.30 172.78 2g35 s LEU 25 N -0.02 4.39 -0.26 -0.88 1.43 0.57 0.27 118.68 124.19 2g35 s LEU 25 Ca -0.02 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2g35 s LEU 25 Cb -0.03 -2.18 0.07 0.00 0.03 0.00 0.00 46.19 44.07 2g35 s LEU 25 CO 0.02 0.38 -0.04 -0.22 0.23 0.00 0.00 176.35 176.72 2g35 s LEU 26 N -1.17 2.95 -0.08 1.79 2.96 0.33 -0.03 118.68 125.42 2g35 s LEU 26 Ca 0.17 -1.36 -0.23 0.00 -0.22 0.00 0.00 54.13 52.49 2g35 s LEU 26 Cb -0.12 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 2g35 s LEU 26 CO 0.07 -0.26 0.70 -0.83 -1.32 0.00 0.00 176.35 174.71 2g35 s GLY 27 N 1.31 2.54 -0.26 7.98 0.00 -0.90 -0.65 107.32 117.34 2g35 s GLY 27 Ca -0.03 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.76 2g35 s GLY 27 CO -0.08 1.22 -0.02 -0.42 0.00 0.00 0.00 173.10 173.80 2g35 s ILE 28 N 0.96 3.12 0.51 0.90 -1.09 -0.91 -0.68 121.20 124.01 2g35 s ILE 28 Ca 0.37 -1.00 0.04 0.00 -2.23 0.00 0.00 60.65 57.83 2g35 s ILE 28 Cb -0.17 -2.62 0.03 0.00 -1.58 0.00 0.00 42.46 38.12 2g35 s ILE 28 CO 0.17 0.13 0.71 -0.89 -1.23 0.00 0.00 174.94 173.83 2g35 s THR 29 N 1.35 2.74 -2.02 2.92 2.01 0.28 -3.67 115.64 119.26 2g35 s THR 29 Ca -0.00 -0.81 0.25 0.00 0.31 0.00 0.00 61.69 61.44 2g35 s THR 29 Cb -0.17 -2.93 0.71 0.00 0.01 0.00 0.00 72.50 70.12 2g35 s THR 29 CO -0.03 0.00 1.96 2.29 -0.69 0.00 0.00 174.62 178.16 2g35 n LYS 30 N -2.17 1.04 0.00 4.92 2.85 -1.26 -3.52 118.16 120.02 2g35 n LYS 30 Ca 0.09 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 2g35 n LYS 30 Cb 0.60 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 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 -0.84 0.00 -3.58 -1.58 1.02 -1.26 -4.80 120.64 109.61 2g35 n GLU 31 Ca 0.19 -0.19 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 2g35 n GLU 31 Cb 0.10 -0.36 -0.02 0.00 -0.02 0.00 0.00 31.44 31.15 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 -2.60 2.81 0.03 0.00 1.01 0.16 0.10 120.40 121.91 2g35 s VAL 33 Ca 0.09 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.79 2g35 s VAL 33 Cb -0.01 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2g35 s VAL 33 CO -0.05 0.26 -0.04 0.00 0.00 0.00 0.00 175.10 175.27 2g35 s MET 34 N -1.66 0.42 -0.08 2.72 0.23 0.15 0.21 119.30 121.29 2g35 s MET 34 Ca 0.16 -0.76 -0.18 0.00 -1.03 0.00 0.00 55.69 53.87 2g35 s MET 34 Cb -0.11 0.04 -0.05 0.00 -1.53 0.00 0.00 34.83 33.19 2g35 s MET 34 CO 0.07 -0.04 0.48 1.03 -2.03 0.00 0.00 175.02 174.53 2g35 s ARG 35 N -1.97 4.26 -0.11 3.16 0.52 -0.03 -2.12 118.95 122.65 2g35 s ARG 35 Ca -0.10 0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 55.59 2g35 s ARG 35 Cb -0.07 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 32.05 2g35 s ARG 35 CO -0.02 0.30 -0.08 0.08 0.02 0.00 0.00 175.30 175.60 2g35 s VAL 36 N 0.16 1.03 0.49 3.52 1.01 0.96 0.21 120.40 127.78 2g35 s VAL 36 Ca 0.26 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 2g35 s VAL 36 Cb -0.16 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 2g35 s VAL 36 CO 0.12 0.37 1.17 -0.62 0.00 0.00 0.00 175.10 176.13 2g35 s ASP 37 N 1.67 5.98 0.19 3.32 -1.08 -0.50 0.21 116.67 126.47 2g35 s ASP 37 Ca 0.04 2.30 0.22 0.00 -0.52 0.00 0.00 52.55 54.60 2g35 s ASP 37 Cb -0.13 -2.60 -0.01 0.00 -1.46 0.00 0.00 42.92 38.72 2g35 s ASP 37 CO -0.08 -1.05 1.03 1.21 0.52 0.00 0.00 175.17 176.80 2g35 n GLU 38 N -0.76 0.61 0.02 4.34 0.00 -1.26 -0.77 120.64 122.82 2g35 n GLU 38 Ca 0.09 0.13 -0.11 0.00 0.00 0.00 0.00 57.16 57.27 2g35 n GLU 38 Cb 0.49 -1.83 -0.08 0.00 0.00 0.00 0.00 31.44 30.02 2g35 n GLU 38 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2g35 h LYS 39 N 0.00 -0.15 -0.02 5.31 3.64 -1.91 -3.33 116.57 120.11 2g35 h LYS 39 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2g35 h LYS 39 Cb 1.05 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2g35 h LYS 39 CO 0.00 0.34 -0.26 0.25 -2.27 0.00 0.00 179.45 177.51 2g35 n THR 40 N -4.86 0.00 -2.13 1.00 -2.24 -1.26 -4.94 114.28 99.86 2g35 n THR 40 Ca -0.08 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 2g35 n THR 40 Cb 0.28 1.29 -0.02 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 -2.03 -4.02 -0.78 5.02 0.05 -4.91 118.16 111.99 2g35 n LYS 41 Ca 0.12 0.54 -0.22 0.00 -2.02 0.00 0.00 58.31 56.72 2g35 n LYS 41 Cb 0.51 -5.01 -0.05 0.00 -0.02 0.00 0.00 35.03 30.46 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 -4.42 2.61 -0.14 1.97 2.56 -1.24 -4.86 118.70 115.19 2g35 s GLU 42 Ca 0.00 -1.33 -0.27 0.00 0.00 0.00 0.00 54.97 53.37 2g35 s GLU 42 Cb 0.00 -2.37 -0.01 0.00 2.00 0.00 0.00 34.13 33.75 2g35 s GLU 42 CO 0.00 0.20 0.89 0.08 -0.56 0.00 0.00 175.26 175.88 2g35 s VAL 43 N -2.30 4.85 -0.12 3.70 1.01 -1.26 -1.40 120.40 124.87 2g35 s VAL 43 Ca 0.37 1.78 0.17 0.00 0.00 0.00 0.00 61.98 64.31 2g35 s VAL 43 Cb -0.05 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 2g35 s VAL 43 CO 0.24 0.03 0.20 -0.38 0.00 0.00 0.00 175.10 175.19 2g35 n ILE 44 N 4.63 0.78 -3.90 2.22 2.08 0.56 -4.94 119.36 120.79 2g35 n ILE 44 Ca 0.06 -0.65 -0.10 0.00 0.56 0.00 0.00 62.75 62.62 2g35 n ILE 44 Cb 0.49 -0.31 -0.06 0.00 -0.75 0.00 0.00 39.64 39.01 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 -2.78 1.24 -0.03 0.38 2.00 -1.01 -4.86 119.66 114.60 2g35 s GLN 45 Ca -0.08 -1.09 -0.02 0.00 -2.00 0.00 0.00 55.36 52.16 2g35 s GLN 45 Cb 0.08 0.42 0.01 0.00 0.80 0.00 0.00 33.01 34.32 2g35 s GLN 45 CO 0.77 -0.48 0.08 -1.21 -0.50 0.00 0.00 175.29 173.95 2g35 s GLU 46 N -3.94 0.08 0.04 1.67 2.02 -1.26 -0.85 118.70 116.46 2g35 s GLU 46 Ca 0.15 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.28 2g35 s GLU 46 Cb 0.02 -0.00 -0.03 0.00 0.10 0.00 0.00 34.13 34.22 2g35 s GLU 46 CO -0.00 -0.04 -0.04 -1.58 0.02 0.00 0.00 175.26 173.62 2g35 s TRP 47 N 0.24 0.43 0.17 1.61 0.51 0.58 -4.93 118.94 117.55 2g35 s TRP 47 Ca -0.02 -0.73 -0.18 0.00 -2.12 0.00 0.00 56.10 53.05 2g35 s TRP 47 Cb -0.03 -0.30 -0.08 0.00 -0.81 0.00 0.00 33.47 32.26 2g35 s TRP 47 CO -0.01 -0.24 0.65 -1.12 -0.51 0.00 0.00 176.95 175.72 2g35 s SER 48 N -2.06 7.00 0.53 2.95 0.01 -1.26 0.36 113.70 121.22 2g35 s SER 48 Ca -0.06 1.29 0.30 0.00 1.31 0.00 0.00 55.95 58.79 2g35 s SER 48 Cb -0.03 -2.37 1.49 0.00 0.21 0.00 0.00 66.02 65.31 2g35 s SER 48 CO -0.04 0.10 2.06 -0.07 0.41 0.00 0.00 173.24 175.70 2g35 h LEU 49 N 3.66 0.00 0.00 2.44 3.38 -1.83 -0.89 115.31 122.07 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 0.10 0.00 0.35 0.09 0.00 0.00 178.44 179.63 2g35 n THR 50 N -3.45 0.01 0.12 0.22 -2.24 -1.26 -3.08 114.28 104.60 2g35 n THR 50 Ca -0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 2g35 n THR 50 Cb 0.25 -0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 2g35 n THR 50 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2g35 n ASN 51 N -1.18 0.78 -4.69 3.42 5.03 -0.34 -4.85 115.26 113.43 2g35 n ASN 51 Ca 0.18 0.29 -0.42 0.00 0.87 0.00 0.00 54.58 55.49 2g35 n ASN 51 Cb 0.19 0.55 -0.03 0.00 -1.02 0.00 0.00 39.78 39.48 2g35 n ASN 51 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2g35 s ILE 52 N -3.37 4.47 -0.20 2.41 1.01 -1.18 -4.36 121.20 119.99 2g35 s ILE 52 Ca -0.01 1.77 -0.19 0.00 0.00 0.00 0.00 60.65 62.22 2g35 s ILE 52 Cb 0.10 -4.14 -0.16 0.00 0.01 0.00 0.00 42.46 38.27 2g35 s ILE 52 CO 0.80 0.02 0.14 0.50 0.00 0.00 0.00 174.94 176.40 2g35 h LYS 53 N 7.24 0.00 -3.27 2.79 3.64 -0.05 -3.49 116.57 123.43 2g35 h LYS 53 Ca -0.34 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 2g35 h LYS 53 Cb 1.16 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.88 2g35 h LYS 53 CO 0.86 0.81 0.04 -0.98 -2.27 0.00 0.00 179.45 177.91 2g35 s ARG 54 N -2.34 1.31 0.24 1.90 1.04 -1.24 -5.00 118.95 114.86 2g35 s ARG 54 Ca -0.26 -0.78 0.01 0.00 -1.04 0.00 0.00 55.73 53.66 2g35 s ARG 54 Cb 0.05 0.52 -0.04 0.00 -2.04 0.00 0.00 34.95 33.45 2g35 s ARG 54 CO 0.52 -0.55 0.17 1.67 -0.04 0.00 0.00 175.30 177.06 2g35 s TRP 55 N -3.84 1.32 -0.16 5.89 -2.14 -1.26 -0.67 118.94 118.08 2g35 s TRP 55 Ca 0.07 -1.45 -0.04 0.00 2.66 0.00 0.00 56.10 57.33 2g35 s TRP 55 Cb -0.01 -0.61 0.08 0.00 -3.10 0.00 0.00 33.47 29.84 2g35 s TRP 55 CO -0.06 -0.70 0.27 0.00 -2.66 0.00 0.00 176.95 173.81 2g35 s ALA 56 N -3.97 -0.56 -0.39 2.67 0.00 0.01 -4.97 121.76 114.56 2g35 s ALA 56 Ca 0.39 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.98 2g35 s ALA 56 Cb 0.06 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 22.01 2g35 s ALA 56 CO 0.16 -0.86 0.32 0.00 0.00 0.00 0.00 175.76 175.39 2g35 s ALA 57 N 2.42 3.48 0.30 0.00 0.00 -1.26 -1.24 121.76 125.45 2g35 s ALA 57 Ca 0.04 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 2g35 s ALA 57 Cb -0.13 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2g35 s ALA 57 CO -0.10 -1.31 0.53 -1.12 0.00 0.00 0.00 175.76 173.75 2g35 s SER 58 N 1.72 6.38 0.00 0.00 0.01 0.17 -4.76 113.70 117.23 2g35 s SER 58 Ca 0.08 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2g35 s SER 58 Cb -0.18 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2g35 s SER 58 CO 0.11 -0.21 0.43 -0.81 0.41 0.00 0.00 173.24 173.18 2g35 n PRO 59 N -1.19 0.00 0.00 12.44 -0.04 -1.26 -2.47 135.00 142.48 2g35 n PRO 59 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2g35 n PRO 59 Cb 0.55 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 3.87 -4.42 0.54 2.85 -1.23 -4.77 118.16 114.06 2g35 n LYS 60 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 2g35 n LYS 60 Cb 0.00 -0.38 -0.10 0.00 -0.65 0.00 0.00 35.03 33.90 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 -0.16 2.10 0.00 -5.58 0.01 -1.03 0.26 113.70 109.30 2g35 s SER 61 Ca 0.00 -1.47 0.01 0.00 1.31 0.00 0.00 55.95 55.80 2g35 s SER 61 Cb 0.00 0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 2g35 s SER 61 CO 0.00 -0.74 -0.03 0.12 0.41 0.00 0.00 173.24 173.00 2g35 s PHE 62 N -3.42 0.25 0.00 2.43 5.36 -0.51 0.46 117.98 122.55 2g35 s PHE 62 Ca 0.34 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2g35 s PHE 62 Cb 0.07 -0.16 -0.00 0.00 -0.34 0.00 0.00 43.02 42.58 2g35 s PHE 62 CO 0.15 -0.01 -0.01 0.99 -1.46 0.00 0.00 175.22 174.88 2g35 s THR 63 N -0.15 0.02 0.26 0.12 2.01 -0.37 -1.89 115.64 115.64 2g35 s THR 63 Ca 0.00 -0.15 0.10 0.00 0.31 0.00 0.00 61.69 61.95 2g35 s THR 63 Cb -0.02 -0.05 -0.05 0.00 0.01 0.00 0.00 72.50 72.39 2g35 s THR 63 CO -0.00 -0.08 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.92 2g35 s LEU 64 N -0.24 2.58 -0.04 4.42 1.43 -0.20 -0.81 118.68 125.82 2g35 s LEU 64 Ca -0.03 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.05 2g35 s LEU 64 Cb -0.02 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.31 2g35 s LEU 64 CO -0.00 -0.08 -0.07 -0.62 0.23 0.00 0.00 176.35 175.81 2g35 s ASP 65 N -3.44 1.07 0.00 2.29 2.15 0.16 -2.06 116.67 116.84 2g35 s ASP 65 Ca 0.27 -0.16 0.20 0.00 0.43 0.00 0.00 52.55 53.29 2g35 s ASP 65 Cb -0.02 -0.41 0.15 0.00 -0.30 0.00 0.00 42.92 42.34 2g35 s ASP 65 CO 0.12 0.01 1.13 0.49 -0.17 0.00 0.00 175.17 176.75 2g35 n PHE 66 N 3.65 0.00 -0.28 -5.34 3.72 -1.26 0.66 117.46 118.61 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 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 1.14 1.75 3.40 1.37 0.00 -1.26 -4.69 105.19 106.89 2g35 n GLY 67 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.24 6.44 0.24 1.61 1.01 -1.26 -4.90 116.67 116.57 2g35 s ASP 68 Ca 0.00 -1.84 -0.06 0.00 0.71 0.00 0.00 52.55 51.35 2g35 s ASP 68 Cb 0.00 -2.33 0.44 0.00 1.01 0.00 0.00 42.92 42.05 2g35 s ASP 68 CO 0.00 -1.02 1.64 0.22 0.21 0.00 0.00 175.17 176.22 2g35 h TYR 69 N 8.83 0.02 -0.31 4.23 3.20 -1.91 0.16 116.97 131.19 2g35 h TYR 69 Ca -0.07 0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2g35 h TYR 69 Cb 1.06 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 39.35 2g35 h TYR 69 CO 1.00 -0.21 -0.31 -0.56 -1.64 0.00 0.00 178.16 176.43 2g35 h GLN 70 N 0.13 -0.28 -0.38 1.82 3.07 -2.02 0.15 115.11 117.61 2g35 h GLN 70 Ca 0.41 0.02 -0.04 0.00 0.09 0.00 0.00 58.65 59.13 2g35 h GLN 70 Cb 0.73 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.33 2g35 h GLN 70 CO -0.63 -0.19 0.06 0.22 0.09 0.00 0.00 178.83 178.38 2g35 h ASP 71 N -0.29 0.53 -3.99 0.06 3.58 -1.42 -3.48 116.42 111.40 2g35 h ASP 71 Ca 0.15 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2g35 h ASP 71 Cb 0.53 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 2g35 h ASP 71 CO -0.47 0.56 -0.02 0.61 -2.88 0.00 0.00 179.24 177.04 2g35 n GLY 72 N -0.96 -1.73 3.84 -0.78 0.00 0.53 -4.93 105.19 101.15 2g35 n GLY 72 Ca 0.02 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.70 2.13 -0.24 1.61 2.02 -1.26 -4.61 117.35 115.30 2g35 s TYR 73 Ca 0.00 0.62 -0.01 0.00 -0.37 0.00 0.00 57.07 57.31 2g35 s TYR 73 Cb 0.00 -3.65 0.07 0.00 -0.40 0.00 0.00 41.96 37.98 2g35 s TYR 73 CO 0.00 -2.47 0.03 -0.47 -1.57 0.00 0.00 175.55 171.07 2g35 s TYR 74 N -3.51 1.65 0.06 2.71 5.04 -0.87 -4.99 117.35 117.43 2g35 s TYR 74 Ca 0.67 -1.38 0.07 0.00 -2.44 0.00 0.00 57.07 53.99 2g35 s TYR 74 Cb -0.10 -1.40 -0.03 0.00 0.35 0.00 0.00 41.96 40.78 2g35 s TYR 74 CO 0.52 -0.73 -0.19 -1.54 -1.34 0.00 0.00 175.55 172.27 2g35 s SER 75 N 1.64 2.33 0.26 4.32 1.04 -1.26 -1.03 113.70 121.00 2g35 s SER 75 Ca 0.01 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 55.76 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 0.11 0.50 0.68 0.98 0.00 0.00 173.24 175.39 2g35 s VAL 76 N -0.90 0.00 0.16 5.02 -7.23 -0.79 -4.96 120.40 111.71 2g35 s VAL 76 Ca 0.06 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 2g35 s VAL 76 Cb -0.09 -2.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 2g35 s VAL 76 CO 0.02 0.00 0.98 -1.10 -0.31 0.00 0.00 175.10 174.69 2g35 s GLN 77 N -3.91 4.73 -0.13 4.82 1.11 0.27 -1.43 119.66 125.12 2g35 s GLN 77 Ca 0.22 1.51 -0.06 0.00 0.01 0.00 0.00 55.36 57.04 2g35 s GLN 77 Cb -0.01 -3.33 0.06 0.00 -1.01 0.00 0.00 33.01 28.71 2g35 s GLN 77 CO 0.10 0.28 0.30 0.95 0.01 0.00 0.00 175.29 176.92 2g35 s THR 78 N -0.37 -0.15 0.30 -0.19 -4.23 0.73 -2.23 115.64 109.50 2g35 s THR 78 Ca 0.46 0.17 0.14 0.00 -1.18 0.00 0.00 61.69 61.27 2g35 s THR 78 Cb -0.25 -0.46 0.07 0.00 1.34 0.00 0.00 72.50 73.20 2g35 s THR 78 CO 0.31 0.07 1.74 0.74 -0.54 0.00 0.00 174.62 176.94 2g35 h THR 79 N 5.91 1.22 0.00 3.99 2.02 -1.87 -2.87 112.91 121.30 2g35 h THR 79 Ca -0.33 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2g35 h THR 79 Cb 1.15 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2g35 h THR 79 CO 0.29 0.44 0.00 -0.62 0.37 0.00 0.00 175.52 176.00 2g35 n GLU 80 N -3.85 0.00 0.00 6.66 4.71 -1.26 -4.61 120.64 122.29 2g35 n GLU 80 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2g35 n GLU 80 Cb 0.50 -0.46 0.00 0.00 -1.01 0.00 0.00 31.44 30.47 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 1.62 0.43 0.29 0.62 0.00 -1.26 -4.45 105.19 102.45 2g35 n GLY 81 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2g35 n GLY 81 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2g35 h GLU 82 N 0.00 -0.66 -0.55 1.61 4.81 -1.86 -1.83 114.58 116.10 2g35 h GLU 82 Ca 0.00 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 2g35 h GLU 82 Cb 0.00 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 2g35 h GLU 82 CO 0.00 -0.35 -0.05 1.96 -0.73 0.00 0.00 179.01 179.84 2g35 h GLN 83 N -1.01 0.07 -0.38 1.92 4.20 -1.98 1.69 115.11 119.61 2g35 h GLN 83 Ca -0.07 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.75 2g35 h GLN 83 Cb 0.61 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2g35 h GLN 83 CO 0.11 0.05 0.31 0.82 -0.67 0.00 0.00 178.83 179.45 2g35 h ILE 84 N 0.07 0.64 0.00 2.54 2.04 -1.89 1.80 117.51 122.72 2g35 h ILE 84 Ca 0.28 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.89 2g35 h ILE 84 Cb 0.44 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2g35 h ILE 84 CO -0.50 0.00 -1.29 0.00 0.00 0.00 0.00 178.15 176.36 2g35 h ALA 85 N 1.73 0.51 0.18 1.87 0.00 0.30 -1.64 119.26 122.21 2g35 h ALA 85 Ca 0.18 -1.13 -0.30 0.00 0.00 0.00 0.00 54.91 53.66 2g35 h ALA 85 Cb 0.80 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.72 2g35 h ALA 85 CO -0.00 1.37 -1.36 0.37 0.00 0.00 0.00 179.25 179.64 2g35 h GLN 86 N 0.00 0.38 -0.36 0.00 4.15 0.47 0.23 115.11 119.98 2g35 h GLN 86 Ca -0.12 -0.64 -0.15 0.00 0.77 0.00 0.00 58.65 58.51 2g35 h GLN 86 Cb 1.87 0.24 -0.01 0.00 0.21 0.00 0.00 27.48 29.80 2g35 h GLN 86 CO 0.11 1.30 -0.35 1.25 -1.93 0.00 0.00 178.83 179.22 2g35 h LEU 87 N 0.10 0.93 0.18 -2.39 5.85 0.24 0.12 115.31 120.35 2g35 h LEU 87 Ca -0.19 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 2g35 h LEU 87 Cb 2.05 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.82 2g35 h LEU 87 CO 0.23 1.20 -0.09 0.40 -0.34 0.00 0.00 178.44 179.84 2g35 h ILE 88 N 0.67 0.92 0.00 4.05 1.08 -1.32 -2.18 117.51 120.73 2g35 h ILE 88 Ca 0.06 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 2g35 h ILE 88 Cb 0.94 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 2g35 h ILE 88 CO 0.09 0.18 0.04 0.00 -0.69 0.00 0.00 178.15 177.77 2g35 h ALA 89 N -0.01 1.03 0.01 1.87 0.00 -0.51 -0.50 119.26 121.15 2g35 h ALA 89 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2g35 h ALA 89 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2g35 h ALA 89 CO 0.04 -0.03 -1.39 0.78 0.00 0.00 0.00 179.25 178.65 2g35 h GLY 90 N 0.00 0.02 1.51 0.00 0.00 -0.49 -3.31 103.07 100.79 2g35 h GLY 90 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2g35 h GLY 90 CO 0.00 0.04 -0.47 -0.97 0.00 0.00 0.00 176.54 175.13 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.49 -3.29 116.97 118.84 2g35 h TYR 91 Ca -0.16 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.51 2g35 h TYR 91 Cb 1.91 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.63 2g35 h TYR 91 CO 0.00 0.00 -0.49 0.82 -1.05 0.00 0.00 178.16 177.44 2g35 h ILE 92 N 0.00 0.93 0.00 -2.88 2.04 -1.54 -2.98 117.51 113.08 2g35 h ILE 92 Ca 0.00 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.82 2g35 h ILE 92 Cb 0.97 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 2g35 h ILE 92 CO 0.00 0.48 -0.46 0.44 0.00 0.00 0.00 178.15 178.61 2g35 h ASP 93 N 0.00 0.00 0.88 1.72 5.19 -1.65 -3.13 116.42 119.43 2g35 h ASP 93 Ca -0.00 -0.02 -0.18 0.00 -0.62 0.00 0.00 57.03 56.20 2g35 h ASP 93 Cb 1.22 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.70 2g35 h ASP 93 CO 0.06 0.01 -1.21 0.40 -3.12 0.00 0.00 179.24 175.38 2g35 h ILE 94 N 0.00 0.81 0.00 0.35 2.04 -1.61 -3.00 117.51 116.10 2g35 h ILE 94 Ca 0.00 -2.38 -0.20 0.00 1.00 0.00 0.00 64.86 63.28 2g35 h ILE 94 Cb 0.96 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 2g35 h ILE 94 CO 0.00 0.46 -1.14 0.16 0.00 0.00 0.00 178.15 177.64 2g35 h ILE 95 N 0.00 1.08 0.08 -0.67 3.07 -1.61 -3.29 117.51 116.16 2g35 h ILE 95 Ca -0.13 -2.70 -0.28 0.00 1.55 0.00 0.00 64.86 63.29 2g35 h ILE 95 Cb 1.65 2.49 -0.02 0.00 -0.27 0.00 0.00 36.82 40.67 2g35 h ILE 95 CO 0.07 0.62 -1.43 -0.07 -1.05 0.00 0.00 178.15 176.28 2g35 h LEU 96 N 0.00 0.25 -0.91 0.16 3.38 -1.66 -3.25 115.31 113.28 2g35 h LEU 96 Ca -0.10 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 2g35 h LEU 96 Cb 1.70 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2g35 h LEU 96 CO 0.09 1.29 -0.51 0.07 0.09 0.00 0.00 178.44 179.46 2g35 h LYS 97 N 0.04 0.08 -0.23 1.13 5.09 -1.65 -0.18 116.57 120.85 2g35 h LYS 97 Ca -0.19 -0.05 -0.13 0.00 0.09 0.00 0.00 60.65 60.37 2g35 h LYS 97 Cb 1.96 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 34.29 2g35 h LYS 97 CO 0.15 0.58 -0.37 0.87 -2.09 0.00 0.00 179.45 178.58 2g35 h LYS 98 N 0.07 0.66 0.00 0.07 1.57 -1.67 -3.06 116.57 114.21 2g35 h LYS 98 Ca -0.00 -0.40 -0.07 0.00 -1.87 0.00 0.00 60.65 58.31 2g35 h LYS 98 Cb 0.93 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2g35 h LYS 98 CO 0.07 1.02 -0.33 0.87 -0.57 0.00 0.00 179.45 180.51 2g35 h LYS 99 N 0.37 0.00 0.00 3.15 1.79 -1.57 -3.52 116.57 116.78 2g35 h LYS 99 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2g35 h LYS 99 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 2g35 h LYS 99 CO 0.08 0.33 0.00 1.17 -1.08 0.00 0.00 179.45 179.95