#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 -1.57 -2.70 1.47 4.01 -1.26 -4.53 118.16 113.58 2g35 n LYS 2 Ca 0.00 0.30 -0.06 0.00 -0.51 0.00 0.00 58.31 58.03 2g35 n LYS 2 Cb 0.00 -3.96 0.10 0.00 -0.51 0.00 0.00 35.03 30.66 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 -1.08 0.00 -3.72 -0.18 -1.04 -1.26 -4.68 114.28 102.32 2g35 n THR 3 Ca -0.04 -1.11 -0.12 0.00 -2.04 0.00 0.00 64.05 60.75 2g35 n THR 3 Cb 0.20 1.30 -0.12 0.00 -1.82 0.00 0.00 70.33 69.89 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 0.16 -0.44 0.00 -1.42 6.14 -1.26 -4.83 117.35 115.70 2g35 s TYR 4 Ca 0.21 1.00 0.00 0.00 0.64 0.00 0.00 57.07 58.92 2g35 s TYR 4 Cb 0.29 0.15 0.00 0.00 0.42 0.00 0.00 41.96 42.82 2g35 s TYR 4 CO -0.12 -0.27 0.00 0.41 0.64 0.00 0.00 175.55 176.21 2g35 n GLY 5 N 4.08 2.48 3.85 8.97 0.00 -1.26 -4.98 105.19 118.33 2g35 n GLY 5 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.84 5.17 -0.57 1.61 1.01 -1.26 -5.04 120.40 118.48 2g35 s VAL 6 Ca 0.00 0.64 -0.23 0.00 0.00 0.00 0.00 61.98 62.39 2g35 s VAL 6 Cb 0.00 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2g35 s VAL 6 CO 0.00 0.58 0.90 -0.44 0.00 0.00 0.00 175.10 176.15 2g35 s SER 7 N -1.08 6.28 -0.23 3.32 0.01 -1.25 -4.87 113.70 115.88 2g35 s SER 7 Ca 0.21 -0.58 -0.23 0.00 1.31 0.00 0.00 55.95 56.66 2g35 s SER 7 Cb -0.15 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2g35 s SER 7 CO 0.11 -1.23 0.77 0.72 0.41 0.00 0.00 173.24 174.02 2g35 s PHE 8 N 3.80 3.33 -0.21 2.43 -0.71 -1.25 -1.50 117.98 123.87 2g35 s PHE 8 Ca 0.26 1.08 -0.09 0.00 -1.04 0.00 0.00 56.93 57.14 2g35 s PHE 8 Cb -0.14 -2.98 -0.04 0.00 -1.21 0.00 0.00 43.02 38.64 2g35 s PHE 8 CO 0.16 -0.34 0.10 -0.06 -1.34 0.00 0.00 175.22 173.74 2g35 s PHE 9 N 2.58 3.28 -0.61 3.49 0.40 0.46 -4.70 117.98 122.88 2g35 s PHE 9 Ca 0.33 0.12 -0.28 0.00 -0.60 0.00 0.00 56.93 56.50 2g35 s PHE 9 Cb -0.16 -2.16 0.02 0.00 0.51 0.00 0.00 43.02 41.23 2g35 s PHE 9 CO 0.09 0.10 1.33 -1.17 0.70 0.00 0.00 175.22 176.27 2g35 s LEU 10 N 0.69 3.36 0.17 -0.37 0.20 -1.26 -0.93 118.68 120.54 2g35 s LEU 10 Ca 0.05 0.08 0.07 0.00 0.69 0.00 0.00 54.13 55.03 2g35 s LEU 10 Cb -0.13 -2.97 -0.04 0.00 -0.43 0.00 0.00 46.19 42.62 2g35 s LEU 10 CO 0.01 -1.69 -0.02 0.68 -0.29 0.00 0.00 176.35 175.05 2g35 s VAL 11 N 5.74 3.62 -0.10 1.68 -7.23 0.13 -4.85 120.40 119.39 2g35 s VAL 11 Ca 0.46 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 59.17 2g35 s VAL 11 Cb -0.09 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 2g35 s VAL 11 CO 0.23 -0.09 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.38 2g35 s LYS 12 N -2.87 3.15 0.27 4.82 1.02 -0.69 0.86 119.74 126.30 2g35 s LYS 12 Ca 0.27 -0.44 0.07 0.00 0.02 0.00 0.00 55.97 55.88 2g35 s LYS 12 Cb -0.09 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2g35 s LYS 12 CO 0.18 0.58 0.27 -1.21 -0.92 0.00 0.00 175.35 174.25 2g35 s GLU 13 N -0.56 3.03 -0.31 1.68 2.02 0.46 -0.63 118.70 124.39 2g35 s GLU 13 Ca 0.09 -1.02 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 2g35 s GLU 13 Cb -0.12 -2.65 0.06 0.00 0.10 0.00 0.00 34.13 31.52 2g35 s GLU 13 CO 0.02 0.34 0.02 -1.59 0.02 0.00 0.00 175.26 174.07 2g35 s LYS 14 N -3.92 2.36 0.59 1.61 0.00 -1.26 0.29 119.74 119.41 2g35 s LYS 14 Ca 0.35 -1.34 -0.17 0.00 0.00 0.00 0.00 55.97 54.81 2g35 s LYS 14 Cb -0.08 -3.22 -0.03 0.00 0.00 0.00 0.00 37.83 34.50 2g35 s LYS 14 CO 0.27 -0.67 1.11 -1.64 0.00 0.00 0.00 175.35 174.41 2g35 s MET 15 N 1.23 3.15 0.00 1.78 -1.94 -1.25 -4.98 119.30 117.30 2g35 s MET 15 Ca -0.03 1.46 0.00 0.00 -1.71 0.00 0.00 55.69 55.41 2g35 s MET 15 Cb -0.20 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.65 2g35 s MET 15 CO -0.02 -0.98 0.00 0.36 -0.01 0.00 0.00 175.02 174.37 2g35 n LYS 16 N -1.82 0.00 -0.51 2.03 -0.00 -1.26 -3.56 118.16 113.04 2g35 n LYS 16 Ca 0.11 0.00 0.42 0.00 -0.00 0.00 0.00 58.31 58.83 2g35 n LYS 16 Cb 0.52 -0.47 0.70 0.00 -0.00 0.00 0.00 35.03 35.78 2g35 n LYS 16 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2g35 h GLY 17 N 0.00 1.14 -6.90 2.58 0.00 -2.01 -3.35 103.07 94.53 2g35 h GLY 17 Ca 0.00 -0.08 -0.62 0.00 0.00 0.00 0.00 47.33 46.63 2g35 h GLY 17 CO 0.00 -0.39 -0.33 0.54 0.00 0.00 0.00 176.54 176.36 2g35 s LYS 18 N -5.20 4.09 0.00 4.80 -0.14 -1.23 -4.88 119.74 117.17 2g35 s LYS 18 Ca -0.07 -0.02 0.23 0.00 -1.36 0.00 0.00 55.97 54.75 2g35 s LYS 18 Cb 0.30 -3.57 1.37 0.00 -1.68 0.00 0.00 37.83 34.25 2g35 s LYS 18 CO 0.84 -0.07 1.75 -1.71 -0.76 0.00 0.00 175.35 175.40 2g35 n ASN 19 N 4.64 0.00 -2.91 2.83 2.85 -1.26 -3.83 115.26 117.58 2g35 n ASN 19 Ca -0.11 -0.78 -0.10 0.00 -0.11 0.00 0.00 54.58 53.48 2g35 n ASN 19 Cb 0.51 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.62 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2g35 n LYS 20 N -0.98 -1.99 -4.39 1.20 3.00 -1.26 -4.92 118.16 108.82 2g35 n LYS 20 Ca 0.17 -0.58 -0.22 0.00 -0.00 0.00 0.00 58.31 57.68 2g35 n LYS 20 Cb 0.08 -0.58 -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 2.53 -0.17 3.14 1.43 -1.26 -3.77 118.68 120.58 2g35 s LEU 21 Ca 0.24 -0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2g35 s LEU 21 Cb -0.03 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.33 2g35 s LEU 21 CO 0.19 -0.04 -0.06 -0.69 0.23 0.00 0.00 176.35 175.98 2g35 s VAL 22 N -2.47 1.15 0.57 -1.59 1.01 0.83 -4.86 120.40 115.05 2g35 s VAL 22 Ca 0.23 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2g35 s VAL 22 Cb -0.04 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2g35 s VAL 22 CO 0.10 0.14 1.10 -2.65 0.00 0.00 0.00 175.10 173.79 2g35 n PRO 23 N 4.86 1.17 -3.71 2.72 -0.02 -1.26 0.17 135.00 138.94 2g35 n PRO 23 Ca -0.12 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.67 2g35 n PRO 23 Cb 0.48 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.77 0.59 -0.10 -0.52 6.06 0.25 -4.07 118.95 118.38 2g35 s ARG 24 Ca 0.74 0.58 -0.07 0.00 -2.50 0.00 0.00 55.73 54.48 2g35 s ARG 24 Cb -0.43 0.29 -0.04 0.00 0.06 0.00 0.00 34.95 34.83 2g35 s ARG 24 CO 0.48 -0.09 0.15 -0.51 -2.50 0.00 0.00 175.30 172.84 2g35 s LEU 25 N 0.06 4.39 -0.24 -0.88 1.43 0.39 0.17 118.68 124.00 2g35 s LEU 25 Ca -0.02 0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2g35 s LEU 25 Cb -0.03 -2.14 0.07 0.00 0.03 0.00 0.00 46.19 44.11 2g35 s LEU 25 CO 0.01 0.39 -0.02 -0.22 0.23 0.00 0.00 176.35 176.75 2g35 s LEU 26 N -1.12 2.35 -0.12 1.79 2.96 -0.11 -0.23 118.68 124.20 2g35 s LEU 26 Ca 0.17 -1.19 -0.29 0.00 -0.22 0.00 0.00 54.13 52.59 2g35 s LEU 26 Cb -0.12 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 2g35 s LEU 26 CO 0.06 -0.27 1.00 -0.83 -1.32 0.00 0.00 176.35 174.98 2g35 s GLY 27 N 1.49 2.27 -0.37 7.98 0.00 0.91 -0.40 107.32 119.20 2g35 s GLY 27 Ca -0.03 0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.92 2g35 s GLY 27 CO -0.08 1.93 0.21 -0.42 0.00 0.00 0.00 173.10 174.73 2g35 s ILE 28 N 2.14 4.66 0.32 0.90 -1.09 -0.56 0.28 121.20 127.85 2g35 s ILE 28 Ca 0.47 -0.75 0.08 0.00 -2.23 0.00 0.00 60.65 58.23 2g35 s ILE 28 Cb -0.18 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2g35 s ILE 28 CO 0.16 -0.18 0.13 -0.89 -1.23 0.00 0.00 174.94 172.93 2g35 s THR 29 N 1.58 3.21 0.05 2.92 2.01 0.47 -3.94 115.64 121.94 2g35 s THR 29 Ca 0.03 -1.69 0.23 0.00 0.31 0.00 0.00 61.69 60.57 2g35 s THR 29 Cb -0.19 -3.00 0.22 0.00 0.01 0.00 0.00 72.50 69.54 2g35 s THR 29 CO 0.07 -0.22 1.76 0.07 -0.69 0.00 0.00 174.62 175.61 2g35 h LYS 30 N 1.57 0.00 0.00 4.92 2.10 -1.98 -3.13 116.57 120.05 2g35 h LYS 30 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2g35 h LYS 30 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2g35 h LYS 30 CO 0.62 0.24 -1.72 0.39 -2.00 0.00 0.00 179.45 176.98 2g35 n GLU 31 N -3.33 0.53 -3.61 0.07 1.02 -1.26 -4.84 120.64 109.21 2g35 n GLU 31 Ca 0.01 -0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 56.99 2g35 n GLU 31 Cb 0.48 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.57 5.42 -0.15 0.00 1.01 0.27 -0.39 120.40 123.99 2g35 s VAL 33 Ca 0.11 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 2g35 s VAL 33 Cb 0.01 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2g35 s VAL 33 CO -0.04 0.50 0.09 -0.04 0.00 0.00 0.00 175.10 175.61 2g35 s MET 34 N -0.14 3.65 -0.33 2.72 1.00 0.80 -0.55 119.30 126.45 2g35 s MET 34 Ca 0.12 -0.26 -0.18 0.00 0.00 0.00 0.00 55.69 55.38 2g35 s MET 34 Cb -0.12 -3.17 -0.01 0.00 0.00 0.00 0.00 34.83 31.53 2g35 s MET 34 CO 0.01 0.53 0.49 1.03 0.00 0.00 0.00 175.02 177.08 2g35 s ARG 35 N -0.35 3.72 -0.10 2.03 0.52 0.92 -0.06 118.95 125.62 2g35 s ARG 35 Ca 0.10 -0.09 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 2g35 s ARG 35 Cb -0.12 -3.77 0.01 0.00 0.52 0.00 0.00 34.95 31.59 2g35 s ARG 35 CO 0.01 -0.56 -0.16 0.08 0.02 0.00 0.00 175.30 174.70 2g35 s VAL 36 N 2.32 1.49 0.49 3.52 1.01 0.68 0.21 120.40 130.11 2g35 s VAL 36 Ca 0.18 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2g35 s VAL 36 Cb -0.16 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.80 2g35 s VAL 36 CO 0.12 0.44 1.14 -0.62 0.00 0.00 0.00 175.10 176.18 2g35 s ASP 37 N 0.85 6.05 0.15 3.32 -1.08 -0.50 0.15 116.67 125.62 2g35 s ASP 37 Ca -0.10 2.23 0.20 0.00 -0.52 0.00 0.00 52.55 54.37 2g35 s ASP 37 Cb -0.15 -2.59 -0.05 0.00 -1.46 0.00 0.00 42.92 38.67 2g35 s ASP 37 CO 0.01 -0.99 0.98 -0.08 0.52 0.00 0.00 175.17 175.60 2g35 h GLU 38 N 1.76 0.00 0.01 4.34 4.22 -1.86 0.17 114.58 123.21 2g35 h GLU 38 Ca -0.50 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.93 2g35 h GLU 38 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2g35 h GLU 38 CO 0.59 0.13 -0.07 -0.22 -2.18 0.00 0.00 179.01 177.26 2g35 h LYS 39 N 0.00 0.04 -0.01 1.92 3.64 -1.91 -3.33 116.57 116.92 2g35 h LYS 39 Ca -0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2g35 h LYS 39 Cb 1.25 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2g35 h LYS 39 CO 0.02 0.92 -0.64 2.41 -2.27 0.00 0.00 179.45 179.88 2g35 n THR 40 N -4.61 0.00 -1.59 1.00 -1.04 -1.26 -4.93 114.28 101.86 2g35 n THR 40 Ca -0.10 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 61.71 2g35 n THR 40 Cb 0.46 0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 69.79 2g35 n THR 40 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2g35 n LYS 41 N -0.92 -1.51 -4.10 -2.82 5.02 0.59 -4.90 118.16 109.51 2g35 n LYS 41 Ca 0.07 0.59 -0.22 0.00 -2.02 0.00 0.00 58.31 56.73 2g35 n LYS 41 Cb 0.38 -4.88 -0.05 0.00 -0.02 0.00 0.00 35.03 30.45 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 -3.42 2.63 -0.13 1.97 2.56 -1.24 -4.84 118.70 116.23 2g35 s GLU 42 Ca 0.00 -1.28 -0.29 0.00 0.00 0.00 0.00 54.97 53.40 2g35 s GLU 42 Cb 0.00 -2.38 -0.01 0.00 2.00 0.00 0.00 34.13 33.74 2g35 s GLU 42 CO 0.00 0.29 1.03 0.08 -0.56 0.00 0.00 175.26 176.10 2g35 s VAL 43 N -2.26 4.71 -0.18 3.70 1.01 -1.26 -1.41 120.40 124.71 2g35 s VAL 43 Ca 0.35 2.00 0.15 0.00 0.00 0.00 0.00 61.98 64.47 2g35 s VAL 43 Cb -0.06 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.79 2g35 s VAL 43 CO 0.24 -0.04 0.14 -0.38 0.00 0.00 0.00 175.10 175.05 2g35 n ILE 44 N 4.75 1.45 -3.62 2.22 2.08 0.56 -4.94 119.36 121.86 2g35 n ILE 44 Ca 0.10 -0.81 -0.04 0.00 0.56 0.00 0.00 62.75 62.56 2g35 n ILE 44 Cb 0.48 -0.69 -0.01 0.00 -0.75 0.00 0.00 39.64 38.66 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 -2.51 0.73 0.14 0.38 0.74 -1.04 -4.95 119.66 113.15 2g35 s GLN 45 Ca -0.12 -0.35 0.04 0.00 0.05 0.00 0.00 55.36 54.97 2g35 s GLN 45 Cb 0.07 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.42 2g35 s GLN 45 CO 0.80 -0.33 -0.09 -1.21 -0.55 0.00 0.00 175.29 173.92 2g35 s GLU 46 N -2.87 1.01 0.01 1.67 2.02 -1.26 0.31 118.70 119.59 2g35 s GLU 46 Ca 0.10 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.66 2g35 s GLU 46 Cb 0.00 -0.50 -0.01 0.00 0.10 0.00 0.00 34.13 33.73 2g35 s GLU 46 CO -0.04 0.04 -0.02 -1.58 0.02 0.00 0.00 175.26 173.69 2g35 s TRP 47 N -3.42 0.14 0.07 1.61 0.52 0.29 -4.93 118.94 113.22 2g35 s TRP 47 Ca 0.16 -0.18 -0.30 0.00 0.02 0.00 0.00 56.10 55.80 2g35 s TRP 47 Cb 0.03 -0.09 -0.05 0.00 -1.15 0.00 0.00 33.47 32.21 2g35 s TRP 47 CO -0.01 -0.06 1.11 -1.12 0.02 0.00 0.00 176.95 176.90 2g35 s SER 48 N -0.48 7.22 0.38 2.95 0.01 -1.26 -0.57 113.70 121.95 2g35 s SER 48 Ca -0.05 1.93 0.05 0.00 1.31 0.00 0.00 55.95 59.19 2g35 s SER 48 Cb -0.03 -2.58 0.76 0.00 0.21 0.00 0.00 66.02 64.38 2g35 s SER 48 CO -0.00 -0.34 2.04 -0.07 0.41 0.00 0.00 173.24 175.27 2g35 h LEU 49 N 6.36 0.57 0.00 2.44 3.38 -1.86 0.22 115.31 126.42 2g35 h LEU 49 Ca -0.42 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2g35 h LEU 49 Cb 1.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2g35 h LEU 49 CO 0.77 0.42 0.00 0.35 0.09 0.00 0.00 178.44 180.07 2g35 n THR 50 N -4.46 0.40 0.01 0.22 -2.24 -1.26 -2.35 114.28 104.60 2g35 n THR 50 Ca 0.04 0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.78 2g35 n THR 50 Cb 0.06 -0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 67.27 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 0.23 -2.07 3.42 -0.73 -0.94 -3.45 115.58 112.04 2g35 h ASN 51 Ca 0.00 -0.44 -0.58 0.00 1.87 0.00 0.00 56.30 57.14 2g35 h ASN 51 Cb 0.08 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 38.61 2g35 h ASN 51 CO 0.00 1.39 1.27 -0.38 -0.37 0.00 0.00 177.43 179.34 2g35 n ILE 52 N -3.29 0.57 -0.08 2.57 5.41 -0.99 -4.37 119.36 119.18 2g35 n ILE 52 Ca -0.21 -0.21 -0.15 0.00 1.00 0.00 0.00 62.75 63.18 2g35 n ILE 52 Cb 1.05 -2.19 -0.11 0.00 -0.71 0.00 0.00 39.64 37.68 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 11.37 0.00 -3.94 0.38 3.64 0.37 -3.48 116.57 124.90 2g35 h LYS 53 Ca -0.46 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.68 2g35 h LYS 53 Cb 1.26 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 2g35 h LYS 53 CO 0.95 0.87 -0.11 -0.98 -2.27 0.00 0.00 179.45 177.92 2g35 s ARG 54 N -2.20 1.99 0.28 1.90 1.70 -1.20 -4.98 118.95 116.42 2g35 s ARG 54 Ca -0.20 -1.72 -0.18 0.00 -0.47 0.00 0.00 55.73 53.16 2g35 s ARG 54 Cb 0.00 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 2g35 s ARG 54 CO 0.58 -0.84 0.66 1.67 -1.08 0.00 0.00 175.30 176.29 2g35 s TRP 55 N -2.89 -0.02 -0.20 5.89 -2.14 -1.26 -0.49 118.94 117.84 2g35 s TRP 55 Ca 0.28 -0.42 -0.04 0.00 2.66 0.00 0.00 56.10 58.58 2g35 s TRP 55 Cb -0.01 0.58 0.10 0.00 -3.10 0.00 0.00 33.47 31.03 2g35 s TRP 55 CO 0.19 -1.20 0.30 0.00 -2.66 0.00 0.00 176.95 173.59 2g35 s ALA 56 N -3.85 -0.69 -0.31 2.67 0.00 0.62 -4.97 121.76 115.24 2g35 s ALA 56 Ca 0.14 0.74 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 2g35 s ALA 56 Cb -0.05 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2g35 s ALA 56 CO 0.08 -1.06 0.26 0.00 0.00 0.00 0.00 175.76 175.03 2g35 s ALA 57 N 2.45 3.52 0.19 0.00 0.00 -1.26 -1.50 121.76 125.16 2g35 s ALA 57 Ca 0.07 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 50.92 2g35 s ALA 57 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2g35 s ALA 57 CO -0.13 -0.77 0.23 -1.12 0.00 0.00 0.00 175.76 173.97 2g35 s SER 58 N 1.73 5.90 0.00 0.00 0.01 0.86 -4.84 113.70 117.37 2g35 s SER 58 Ca 0.09 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2g35 s SER 58 Cb -0.16 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2g35 s SER 58 CO 0.11 0.02 0.05 -0.81 0.41 0.00 0.00 173.24 173.02 2g35 n PRO 59 N -0.72 0.00 0.00 12.44 -0.04 -1.26 -2.64 135.00 142.78 2g35 n PRO 59 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2g35 n PRO 59 Cb 0.55 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.49 0.00 -4.34 0.54 2.85 -1.25 -4.81 118.16 110.66 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 0.00 -0.35 -0.10 0.00 -0.65 0.00 0.00 35.03 33.93 2g35 n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2g35 s SER 61 N -1.36 1.78 -0.00 -5.58 1.04 -1.08 0.17 113.70 108.66 2g35 s SER 61 Ca 0.00 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.23 2g35 s SER 61 Cb 0.00 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2g35 s SER 61 CO 0.00 -0.56 -0.17 0.12 0.98 0.00 0.00 173.24 173.61 2g35 s PHE 62 N -3.46 1.54 -0.03 5.02 5.36 -0.46 -0.10 117.98 125.85 2g35 s PHE 62 Ca 0.30 -0.30 0.02 0.00 -0.96 0.00 0.00 56.93 55.99 2g35 s PHE 62 Cb 0.06 -0.98 0.01 0.00 -0.34 0.00 0.00 43.02 41.78 2g35 s PHE 62 CO 0.10 -0.01 -0.07 0.99 -1.46 0.00 0.00 175.22 174.77 2g35 s THR 63 N -0.46 0.65 0.17 0.12 2.01 -0.56 -1.78 115.64 115.78 2g35 s THR 63 Ca 0.06 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 61.90 2g35 s THR 63 Cb -0.07 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 2g35 s THR 63 CO -0.00 0.23 -0.19 -1.48 -0.69 0.00 0.00 174.62 172.49 2g35 s LEU 64 N 0.45 2.44 -0.06 4.42 2.34 -0.86 -0.28 118.68 127.14 2g35 s LEU 64 Ca -0.07 -0.86 0.02 0.00 0.06 0.00 0.00 54.13 53.28 2g35 s LEU 64 Cb -0.10 -0.84 0.01 0.00 -0.56 0.00 0.00 46.19 44.70 2g35 s LEU 64 CO 0.00 -0.03 -0.10 -1.81 -1.06 0.00 0.00 176.35 173.36 2g35 s ASP 65 N -2.66 1.53 0.00 1.48 1.11 0.36 -2.42 116.67 116.07 2g35 s ASP 65 Ca 0.16 -0.25 0.24 0.00 0.18 0.00 0.00 52.55 52.88 2g35 s ASP 65 Cb -0.06 -0.69 0.32 0.00 1.07 0.00 0.00 42.92 43.56 2g35 s ASP 65 CO 0.07 0.02 1.31 0.49 1.18 0.00 0.00 175.17 178.23 2g35 n PHE 66 N 3.82 0.00 -0.37 4.23 3.72 -1.26 0.28 117.46 127.87 2g35 n PHE 66 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2g35 n PHE 66 Cb 0.52 -0.02 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 1.35 2.07 3.49 1.37 0.00 -1.26 -4.57 105.19 107.64 2g35 n GLY 67 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.52 6.67 0.30 1.61 1.01 -1.26 -4.85 116.67 116.63 2g35 s ASP 68 Ca 0.00 -2.05 0.05 0.00 0.71 0.00 0.00 52.55 51.26 2g35 s ASP 68 Cb 0.00 -2.46 0.78 0.00 1.01 0.00 0.00 42.92 42.25 2g35 s ASP 68 CO 0.00 -1.14 1.67 0.22 0.21 0.00 0.00 175.17 176.12 2g35 h TYR 69 N 8.77 0.56 0.24 4.23 3.20 -1.92 0.17 116.97 132.22 2g35 h TYR 69 Ca 0.21 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.13 2g35 h TYR 69 Cb 0.99 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 2g35 h TYR 69 CO 1.20 -0.14 -0.47 -0.56 -1.64 0.00 0.00 178.16 176.55 2g35 h GLN 70 N 0.30 -0.76 -0.58 1.82 -0.00 -2.03 -1.56 115.11 112.30 2g35 h GLN 70 Ca 0.58 0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 59.27 2g35 h GLN 70 Cb 1.19 0.17 -0.03 0.00 -0.00 0.00 0.00 27.48 28.81 2g35 h GLN 70 CO -0.60 -0.51 0.31 0.22 -0.00 0.00 0.00 178.83 178.25 2g35 h ASP 71 N -0.79 0.71 -4.28 0.06 1.82 -1.49 -3.48 116.42 108.98 2g35 h ASP 71 Ca -0.01 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2g35 h ASP 71 Cb 0.76 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2g35 h ASP 71 CO -0.20 0.58 0.00 0.61 -1.61 0.00 0.00 179.24 178.63 2g35 n GLY 72 N -1.25 -0.91 3.82 -0.78 0.00 0.41 -4.95 105.19 101.54 2g35 n GLY 72 Ca 0.05 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.46 2.86 -0.23 1.61 2.02 -1.26 -4.70 117.35 116.19 2g35 s TYR 73 Ca 0.00 1.06 -0.02 0.00 -0.37 0.00 0.00 57.07 57.74 2g35 s TYR 73 Cb 0.00 -3.18 0.07 0.00 -0.40 0.00 0.00 41.96 38.44 2g35 s TYR 73 CO 0.00 -1.78 0.03 -0.47 -1.57 0.00 0.00 175.55 171.76 2g35 s TYR 74 N -3.24 1.46 0.14 2.71 5.04 -1.02 -5.02 117.35 117.43 2g35 s TYR 74 Ca 0.61 -1.24 0.07 0.00 -2.44 0.00 0.00 57.07 54.07 2g35 s TYR 74 Cb -0.14 -1.29 -0.04 0.00 0.35 0.00 0.00 41.96 40.84 2g35 s TYR 74 CO 0.53 -0.70 -0.16 0.45 -1.34 0.00 0.00 175.55 174.33 2g35 s SER 75 N 1.71 2.32 0.28 4.32 0.15 -1.26 -2.02 113.70 119.20 2g35 s SER 75 Ca 0.00 -0.84 -0.12 0.00 0.70 0.00 0.00 55.95 55.70 2g35 s SER 75 Cb -0.17 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2g35 s SER 75 CO -0.11 -0.09 0.52 0.68 1.20 0.00 0.00 173.24 175.43 2g35 s VAL 76 N -2.10 0.00 0.12 4.45 -7.23 -0.73 -4.94 120.40 109.97 2g35 s VAL 76 Ca 0.12 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 2g35 s VAL 76 Cb -0.05 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 2g35 s VAL 76 CO 0.05 0.00 1.02 -1.10 -0.31 0.00 0.00 175.10 174.75 2g35 s GLN 77 N -3.72 4.64 -0.18 4.82 -1.52 0.19 -1.35 119.66 122.54 2g35 s GLN 77 Ca 0.23 1.54 -0.07 0.00 -1.95 0.00 0.00 55.36 55.11 2g35 s GLN 77 Cb -0.01 -3.35 0.08 0.00 -0.22 0.00 0.00 33.01 29.51 2g35 s GLN 77 CO 0.11 0.13 0.39 0.95 -0.25 0.00 0.00 175.29 176.62 2g35 s THR 78 N 0.06 -0.56 -0.13 -0.19 -4.23 0.45 -1.70 115.64 109.34 2g35 s THR 78 Ca 0.49 0.18 0.28 0.00 -1.18 0.00 0.00 61.69 61.46 2g35 s THR 78 Cb -0.25 -0.62 0.35 0.00 1.34 0.00 0.00 72.50 73.32 2g35 s THR 78 CO 0.31 0.08 1.81 0.74 -0.54 0.00 0.00 174.62 177.01 2g35 h THR 79 N 6.15 0.06 -0.29 3.99 2.02 -1.88 -2.94 112.91 120.02 2g35 h THR 79 Ca -0.17 -0.80 -0.13 0.00 0.77 0.00 0.00 66.41 66.08 2g35 h THR 79 Cb 1.11 1.76 -0.08 0.00 -1.74 0.00 0.00 68.15 69.20 2g35 h THR 79 CO 0.14 0.03 -0.09 -0.62 0.37 0.00 0.00 175.52 175.35 2g35 n GLU 80 N -3.12 1.99 0.26 6.66 1.02 -1.26 -4.72 120.64 121.47 2g35 n GLU 80 Ca 0.02 -3.10 0.06 0.00 -0.02 0.00 0.00 57.16 54.12 2g35 n GLU 80 Cb 0.42 -1.79 0.32 0.00 -0.02 0.00 0.00 31.44 30.36 2g35 n GLU 80 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2g35 h GLY 81 N 1.09 0.00 0.01 0.62 0.00 -1.74 0.16 103.07 103.21 2g35 h GLY 81 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2g35 h GLY 81 CO 0.31 0.00 -0.00 -2.09 0.00 0.00 0.00 176.54 174.76 2g35 h GLU 82 N 0.00 -0.01 -0.54 4.80 4.81 -1.84 -2.97 114.58 118.82 2g35 h GLU 82 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2g35 h GLU 82 Cb 1.19 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.49 2g35 h GLU 82 CO 0.00 0.23 0.09 1.96 -0.73 0.00 0.00 179.01 180.57 2g35 h GLN 83 N -1.00 0.22 -0.44 1.92 4.20 -1.11 1.33 115.11 120.22 2g35 h GLN 83 Ca -0.00 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.82 2g35 h GLN 83 Cb 0.25 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2g35 h GLN 83 CO 0.00 0.14 0.38 0.82 -0.67 0.00 0.00 178.83 179.50 2g35 h ILE 84 N 0.22 0.57 0.02 2.54 2.04 -1.40 1.21 117.51 122.70 2g35 h ILE 84 Ca 0.28 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.89 2g35 h ILE 84 Cb 0.40 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2g35 h ILE 84 CO -0.38 0.00 -1.29 0.00 0.00 0.00 0.00 178.15 176.48 2g35 h ALA 85 N 1.66 0.47 0.15 1.87 0.00 0.17 -1.65 119.26 121.93 2g35 h ALA 85 Ca 0.21 -1.11 -0.29 0.00 0.00 0.00 0.00 54.91 53.72 2g35 h ALA 85 Cb 0.96 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.87 2g35 h ALA 85 CO -0.00 1.34 -1.29 0.37 0.00 0.00 0.00 179.25 179.67 2g35 h GLN 86 N 0.01 0.43 -0.29 0.00 4.15 0.38 0.42 115.11 120.20 2g35 h GLN 86 Ca -0.13 -0.67 -0.14 0.00 0.77 0.00 0.00 58.65 58.49 2g35 h GLN 86 Cb 1.88 0.24 -0.00 0.00 0.21 0.00 0.00 27.48 29.81 2g35 h GLN 86 CO 0.12 1.31 -0.35 1.25 -1.93 0.00 0.00 178.83 179.22 2g35 h LEU 87 N 0.15 0.82 0.14 -2.39 5.85 0.11 0.59 115.31 120.58 2g35 h LEU 87 Ca -0.18 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 2g35 h LEU 87 Cb 1.98 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.78 2g35 h LEU 87 CO 0.23 1.14 -0.07 0.40 -0.34 0.00 0.00 178.44 179.80 2g35 h ILE 88 N 0.51 1.02 0.00 4.05 1.08 -1.32 -1.86 117.51 120.98 2g35 h ILE 88 Ca 0.04 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 2g35 h ILE 88 Cb 0.94 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 2g35 h ILE 88 CO 0.08 0.20 0.02 0.00 -0.69 0.00 0.00 178.15 177.77 2g35 h ALA 89 N 0.11 1.02 0.00 1.87 0.00 -0.15 0.19 119.26 122.30 2g35 h ALA 89 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2g35 h ALA 89 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2g35 h ALA 89 CO 0.03 -0.02 -1.17 0.78 0.00 0.00 0.00 179.25 178.88 2g35 h GLY 90 N 0.00 0.00 1.62 0.00 0.00 -0.38 -3.32 103.07 101.00 2g35 h GLY 90 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2g35 h GLY 90 CO 0.00 0.00 -0.95 -0.97 0.00 0.00 0.00 176.54 174.62 2g35 h TYR 91 N 0.00 0.00 0.00 5.60 0.05 -0.17 -3.26 116.97 119.20 2g35 h TYR 91 Ca -0.12 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.59 2g35 h TYR 91 Cb 1.56 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.29 2g35 h TYR 91 CO 0.00 0.65 -0.32 0.82 -1.05 0.00 0.00 178.16 178.25 2g35 h ILE 92 N 0.00 0.77 0.00 -2.88 2.04 -1.55 -2.80 117.51 113.08 2g35 h ILE 92 Ca -0.07 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 2g35 h ILE 92 Cb 1.56 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2g35 h ILE 92 CO 0.07 0.32 -0.54 0.44 0.00 0.00 0.00 178.15 178.44 2g35 h ASP 93 N 0.00 0.00 0.98 1.72 3.32 -1.65 -3.16 116.42 117.62 2g35 h ASP 93 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2g35 h ASP 93 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 2g35 h ASP 93 CO 0.04 0.10 -1.09 0.40 -1.72 0.00 0.00 179.24 176.97 2g35 h ILE 94 N 0.00 0.61 0.00 0.35 2.04 -1.56 -3.14 117.51 115.81 2g35 h ILE 94 Ca -0.01 -2.03 -0.23 0.00 1.00 0.00 0.00 64.86 63.58 2g35 h ILE 94 Cb 1.08 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 39.27 2g35 h ILE 94 CO 0.01 0.35 -1.26 0.16 0.00 0.00 0.00 178.15 177.41 2g35 h ILE 95 N 0.00 1.30 0.06 -0.67 3.07 -1.59 -3.24 117.51 116.45 2g35 h ILE 95 Ca -0.10 -3.05 -0.24 0.00 1.55 0.00 0.00 64.86 63.02 2g35 h ILE 95 Cb 1.49 2.64 -0.00 0.00 -0.27 0.00 0.00 36.82 40.68 2g35 h ILE 95 CO 0.05 0.74 -1.08 -0.07 -1.05 0.00 0.00 178.15 176.74 2g35 h LEU 96 N 0.00 0.39 -0.19 0.16 3.38 -1.66 -3.19 115.31 114.20 2g35 h LEU 96 Ca -0.12 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 2g35 h LEU 96 Cb 1.84 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 2g35 h LEU 96 CO 0.10 1.23 -0.15 0.07 0.09 0.00 0.00 178.44 179.78 2g35 h LYS 97 N 0.11 0.44 -0.84 1.13 2.10 -1.66 -2.12 116.57 115.72 2g35 h LYS 97 Ca -0.09 -0.22 0.13 0.00 -2.00 0.00 0.00 60.65 58.47 2g35 h LYS 97 Cb 1.77 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 33.01 2g35 h LYS 97 CO 0.18 0.78 0.45 0.87 -2.00 0.00 0.00 179.45 179.72 2g35 h LYS 98 N 0.10 0.66 0.00 0.07 6.56 -1.65 0.43 116.57 122.74 2g35 h LYS 98 Ca 0.03 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2g35 h LYS 98 Cb 0.68 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 2g35 h LYS 98 CO 0.04 0.43 0.00 0.87 -2.06 0.00 0.00 179.45 178.73 2g35 h LYS 99 N 0.67 0.00 0.00 3.15 1.57 -1.51 -3.52 116.57 116.93 2g35 h LYS 99 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2g35 h LYS 99 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2g35 h LYS 99 CO -0.33 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 179.72