#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 0.57 -2.69 3.23 4.01 -1.26 -3.05 118.16 118.98 2g35 n LYS 2 Ca 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 2g35 n LYS 2 Cb 0.00 -1.12 0.08 0.00 -0.51 0.00 0.00 35.03 33.48 2g35 n LYS 2 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2g35 n THR 3 N -0.20 0.44 -1.80 -0.18 5.66 -1.26 -4.83 114.28 112.11 2g35 n THR 3 Ca 0.00 -2.16 -0.28 0.00 -3.05 0.00 0.00 64.05 58.56 2g35 n THR 3 Cb 0.06 0.87 0.20 0.00 -1.55 0.00 0.00 70.33 69.91 2g35 n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2g35 n TYR 4 N -0.41 -3.99 -0.68 1.09 9.36 -1.17 -4.80 117.16 116.56 2g35 n TYR 4 Ca 0.02 -1.09 -0.40 0.00 3.32 0.00 0.00 57.90 59.75 2g35 n TYR 4 Cb 0.84 -0.98 -0.08 0.00 -0.63 0.00 0.00 39.34 38.49 2g35 n TYR 4 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2g35 n GLY 5 N -3.28 1.39 3.72 2.98 0.00 -1.26 -4.84 105.19 103.89 2g35 n GLY 5 Ca 0.16 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 6.03 4.54 -0.31 1.61 1.01 -1.26 -4.98 120.40 127.04 2g35 s VAL 6 Ca 0.58 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 2g35 s VAL 6 Cb 0.13 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2g35 s VAL 6 CO 0.23 0.60 0.88 -0.44 0.00 0.00 0.00 175.10 176.37 2g35 s SER 7 N -0.87 6.75 -0.26 3.32 0.01 -1.24 -4.86 113.70 116.54 2g35 s SER 7 Ca 0.13 0.80 -0.13 0.00 1.31 0.00 0.00 55.95 58.06 2g35 s SER 7 Cb -0.11 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2g35 s SER 7 CO 0.03 -0.69 0.30 0.72 0.41 0.00 0.00 173.24 174.00 2g35 s PHE 8 N 3.16 3.25 -0.14 2.43 -0.71 -1.26 -1.89 117.98 122.82 2g35 s PHE 8 Ca 0.36 0.32 -0.06 0.00 -1.04 0.00 0.00 56.93 56.51 2g35 s PHE 8 Cb -0.14 -2.48 -0.04 0.00 -1.21 0.00 0.00 43.02 39.16 2g35 s PHE 8 CO 0.13 -0.16 0.08 -0.06 -1.34 0.00 0.00 175.22 173.87 2g35 s PHE 9 N 1.81 3.37 -0.21 3.49 0.40 -0.21 -4.73 117.98 121.89 2g35 s PHE 9 Ca 0.12 0.28 -0.29 0.00 -0.60 0.00 0.00 56.93 56.44 2g35 s PHE 9 Cb -0.16 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.40 2g35 s PHE 9 CO 0.10 0.43 1.05 -1.17 0.70 0.00 0.00 175.22 176.33 2g35 s LEU 10 N -0.35 4.12 0.11 -0.37 0.20 -1.26 -0.67 118.68 120.46 2g35 s LEU 10 Ca 0.10 1.42 0.05 0.00 0.69 0.00 0.00 54.13 56.39 2g35 s LEU 10 Cb -0.12 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.06 2g35 s LEU 10 CO 0.02 -0.65 -0.13 0.68 -0.29 0.00 0.00 176.35 175.97 2g35 s VAL 11 N 3.08 1.24 0.17 1.68 -7.23 0.16 -4.92 120.40 114.59 2g35 s VAL 11 Ca 0.45 -1.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.01 2g35 s VAL 11 Cb -0.16 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 2g35 s VAL 11 CO 0.08 -0.43 0.07 -0.54 -0.31 0.00 0.00 175.10 173.98 2g35 s LYS 12 N -2.62 2.67 0.21 4.82 1.02 -1.12 0.15 119.74 124.87 2g35 s LYS 12 Ca 0.07 -0.99 0.07 0.00 0.02 0.00 0.00 55.97 55.15 2g35 s LYS 12 Cb -0.05 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 2g35 s LYS 12 CO 0.02 0.47 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.59 2g35 s GLU 13 N -3.06 1.35 -0.34 1.68 2.02 0.10 0.35 118.70 120.80 2g35 s GLU 13 Ca 0.29 -1.61 -0.10 0.00 0.02 0.00 0.00 54.97 53.57 2g35 s GLU 13 Cb -0.10 -1.08 0.01 0.00 0.10 0.00 0.00 34.13 33.06 2g35 s GLU 13 CO 0.21 0.15 0.16 0.15 0.02 0.00 0.00 175.26 175.96 2g35 s LYS 14 N -3.67 3.07 0.58 1.61 3.01 -1.26 0.35 119.74 123.43 2g35 s LYS 14 Ca 0.23 -0.90 -0.18 0.00 -1.01 0.00 0.00 55.97 54.11 2g35 s LYS 14 Cb 0.00 -3.61 -0.04 0.00 -1.01 0.00 0.00 37.83 33.17 2g35 s LYS 14 CO 0.07 -0.54 1.12 -1.64 0.51 0.00 0.00 175.35 174.87 2g35 s MET 15 N 1.57 3.19 0.00 1.68 -1.94 -1.26 -4.78 119.30 117.75 2g35 s MET 15 Ca 0.03 1.55 0.00 0.00 -1.71 0.00 0.00 55.69 55.56 2g35 s MET 15 Cb -0.18 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.67 2g35 s MET 15 CO 0.06 -0.97 0.00 1.63 -0.01 0.00 0.00 175.02 175.73 2g35 n LYS 16 N -1.63 0.00 0.00 2.03 4.01 -1.26 -2.28 118.16 119.03 2g35 n LYS 16 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 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 1.00 3.66 0.72 0.00 -1.26 -5.08 105.19 104.22 2g35 n GLY 17 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 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 1.43 0.00 1.61 4.76 -0.97 -4.69 118.16 120.31 2g35 n LYS 18 Ca 0.00 0.52 0.01 0.00 -2.87 0.00 0.00 58.31 55.97 2g35 n LYS 18 Cb 0.14 -2.23 0.03 0.00 -1.84 0.00 0.00 35.03 31.13 2g35 n LYS 18 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2g35 n ASN 19 N 4.31 0.00 -2.95 4.39 5.15 -1.26 -4.49 115.26 120.42 2g35 n ASN 19 Ca 0.22 0.38 -0.13 0.00 -0.60 0.00 0.00 54.58 54.45 2g35 n ASN 19 Cb 0.20 -0.39 0.11 0.00 -0.53 0.00 0.00 39.78 39.17 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2g35 n LYS 20 N -1.39 -1.89 -4.07 1.20 3.00 -1.26 -5.08 118.16 108.68 2g35 n LYS 20 Ca 0.00 -0.74 -0.08 0.00 -0.00 0.00 0.00 58.31 57.49 2g35 n LYS 20 Cb 0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 35.03 34.25 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 2.43 -0.22 3.14 1.43 -1.26 -4.53 118.68 119.67 2g35 s LEU 21 Ca 0.30 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2g35 s LEU 21 Cb -0.03 0.14 0.05 0.00 0.03 0.00 0.00 46.19 46.38 2g35 s LEU 21 CO 0.23 -0.51 -0.09 -0.69 0.23 0.00 0.00 176.35 175.52 2g35 s VAL 22 N -3.25 1.70 0.60 -1.59 1.01 0.16 -4.86 120.40 114.17 2g35 s VAL 22 Ca 0.02 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 2g35 s VAL 22 Cb 0.03 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2g35 s VAL 22 CO -0.07 0.06 1.19 -2.65 0.00 0.00 0.00 175.10 173.64 2g35 n PRO 23 N 4.64 1.18 -3.68 2.72 -0.02 -1.26 0.01 135.00 138.59 2g35 n PRO 23 Ca -0.14 0.45 -0.15 0.00 -2.02 0.00 0.00 63.50 61.65 2g35 n PRO 23 Cb 0.45 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 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 -3.02 0.74 -0.12 -0.52 6.06 0.41 -4.03 118.95 118.47 2g35 s ARG 24 Ca 0.78 0.24 -0.05 0.00 -2.50 0.00 0.00 55.73 54.19 2g35 s ARG 24 Cb -0.41 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 34.91 2g35 s ARG 24 CO 0.45 -0.18 0.09 -0.51 -2.50 0.00 0.00 175.30 172.65 2g35 s LEU 25 N -0.74 4.10 -0.25 -0.88 1.43 0.49 0.40 118.68 123.24 2g35 s LEU 25 Ca -0.08 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2g35 s LEU 25 Cb -0.03 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.27 2g35 s LEU 25 CO 0.05 0.38 -0.06 -0.22 0.23 0.00 0.00 176.35 176.73 2g35 s LEU 26 N -0.86 2.90 -0.03 1.79 2.96 0.15 -0.43 118.68 125.16 2g35 s LEU 26 Ca 0.14 -1.30 -0.26 0.00 -0.22 0.00 0.00 54.13 52.49 2g35 s LEU 26 Cb -0.12 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2g35 s LEU 26 CO 0.03 -0.24 0.81 -0.83 -1.32 0.00 0.00 176.35 174.81 2g35 s GLY 27 N 1.30 2.75 -0.23 7.98 0.00 -0.34 -1.04 107.32 117.74 2g35 s GLY 27 Ca -0.05 0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.98 2g35 s GLY 27 CO -0.06 1.37 -0.08 -0.26 0.00 0.00 0.00 173.10 174.06 2g35 s ILE 28 N 0.82 1.69 0.46 0.90 -0.00 -0.79 0.11 121.20 124.38 2g35 s ILE 28 Ca 0.43 -1.24 0.08 0.00 -0.00 0.00 0.00 60.65 59.92 2g35 s ILE 28 Cb -0.19 -1.87 0.01 0.00 -0.00 0.00 0.00 42.46 40.41 2g35 s ILE 28 CO 0.22 -0.00 0.52 -0.89 -0.00 0.00 0.00 174.94 174.79 2g35 s THR 29 N 1.34 2.62 -0.72 8.37 2.01 0.34 -3.70 115.64 125.90 2g35 s THR 29 Ca -0.05 -1.17 0.25 0.00 0.31 0.00 0.00 61.69 61.04 2g35 s THR 29 Cb -0.18 -2.78 0.26 0.00 0.01 0.00 0.00 72.50 69.81 2g35 s THR 29 CO -0.07 0.00 1.77 2.29 -0.69 0.00 0.00 174.62 177.92 2g35 n LYS 30 N -1.80 0.20 0.00 4.92 2.85 -1.26 -3.50 118.16 119.57 2g35 n LYS 30 Ca 0.07 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 2g35 n LYS 30 Cb 0.61 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 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 -2.12 -0.57 -3.60 -1.58 1.02 -1.26 -4.90 120.64 107.63 2g35 n GLU 31 Ca 0.05 -0.36 -0.04 0.00 -0.02 0.00 0.00 57.16 56.80 2g35 n GLU 31 Cb 0.36 -0.85 -0.02 0.00 -0.02 0.00 0.00 31.44 30.91 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 -2.58 2.10 0.02 0.00 1.01 0.87 0.13 120.40 121.95 2g35 s VAL 33 Ca 0.10 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.46 2g35 s VAL 33 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2g35 s VAL 33 CO -0.05 0.14 0.02 0.00 0.00 0.00 0.00 175.10 175.21 2g35 s MET 34 N -1.77 0.40 -0.04 2.72 0.23 0.12 0.23 119.30 121.18 2g35 s MET 34 Ca 0.12 -0.63 -0.16 0.00 -1.03 0.00 0.00 55.69 53.98 2g35 s MET 34 Cb -0.10 0.15 -0.05 0.00 -1.53 0.00 0.00 34.83 33.30 2g35 s MET 34 CO 0.04 -0.08 0.43 1.03 -2.03 0.00 0.00 175.02 174.42 2g35 s ARG 35 N -1.77 4.11 -0.05 3.16 0.52 0.12 -1.19 118.95 123.84 2g35 s ARG 35 Ca -0.13 0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 55.50 2g35 s ARG 35 Cb -0.07 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.12 2g35 s ARG 35 CO -0.02 0.48 0.00 0.08 0.02 0.00 0.00 175.30 175.86 2g35 s VAL 36 N -0.40 0.29 0.47 3.52 1.01 0.43 0.70 120.40 126.43 2g35 s VAL 36 Ca 0.24 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 2g35 s VAL 36 Cb -0.16 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 2g35 s VAL 36 CO 0.12 0.22 1.13 -0.62 0.00 0.00 0.00 175.10 175.95 2g35 s ASP 37 N 1.65 6.17 0.08 3.32 -1.08 -0.36 0.19 116.67 126.63 2g35 s ASP 37 Ca -0.00 2.20 0.18 0.00 -0.52 0.00 0.00 52.55 54.40 2g35 s ASP 37 Cb -0.13 -2.59 -0.12 0.00 -1.46 0.00 0.00 42.92 38.62 2g35 s ASP 37 CO -0.03 -0.91 0.84 1.21 0.52 0.00 0.00 175.17 176.80 2g35 n GLU 38 N -0.67 0.62 0.06 4.34 0.00 -1.26 -0.69 120.64 123.04 2g35 n GLU 38 Ca 0.08 0.20 -0.13 0.00 0.00 0.00 0.00 57.16 57.31 2g35 n GLU 38 Cb 0.49 -1.80 -0.09 0.00 0.00 0.00 0.00 31.44 30.04 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 -0.17 -0.02 5.31 3.64 -1.91 -3.29 116.57 120.13 2g35 h LYS 39 Ca -0.14 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2g35 h LYS 39 Cb 1.49 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 2g35 h LYS 39 CO 0.04 0.22 -0.22 0.25 -2.27 0.00 0.00 179.45 177.46 2g35 n THR 40 N -4.98 0.00 -1.95 1.00 -2.24 -1.26 -4.94 114.28 99.91 2g35 n THR 40 Ca -0.09 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 2g35 n THR 40 Cb 0.24 1.33 -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 0.54 -1.82 -3.77 -0.78 5.02 0.13 -4.91 118.16 112.56 2g35 n LYS 41 Ca 0.10 0.61 -0.21 0.00 -2.02 0.00 0.00 58.31 56.80 2g35 n LYS 41 Cb 0.48 -5.04 -0.03 0.00 -0.02 0.00 0.00 35.03 30.42 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 -4.12 2.94 -0.16 1.97 2.56 -1.23 -4.85 118.70 115.82 2g35 s GLU 42 Ca 0.00 -1.12 -0.24 0.00 0.00 0.00 0.00 54.97 53.61 2g35 s GLU 42 Cb 0.00 -2.63 -0.02 0.00 2.00 0.00 0.00 34.13 33.48 2g35 s GLU 42 CO 0.00 0.16 0.77 0.08 -0.56 0.00 0.00 175.26 175.72 2g35 s VAL 43 N -2.21 4.93 -0.13 3.70 1.01 -1.26 -1.23 120.40 125.22 2g35 s VAL 43 Ca 0.40 1.51 0.19 0.00 0.00 0.00 0.00 61.98 64.08 2g35 s VAL 43 Cb -0.08 -4.08 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 2g35 s VAL 43 CO 0.28 0.07 0.22 -0.38 0.00 0.00 0.00 175.10 175.29 2g35 n ILE 44 N 4.62 0.80 -3.81 2.22 2.08 0.22 -4.93 119.36 120.55 2g35 n ILE 44 Ca 0.02 -0.68 -0.09 0.00 0.56 0.00 0.00 62.75 62.56 2g35 n ILE 44 Cb 0.49 -0.29 -0.04 0.00 -0.75 0.00 0.00 39.64 39.05 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 -2.85 1.41 0.00 0.38 2.00 -1.01 -4.88 119.66 114.70 2g35 s GLN 45 Ca -0.09 -0.96 0.00 0.00 -2.00 0.00 0.00 55.36 52.31 2g35 s GLN 45 Cb 0.09 0.50 -0.00 0.00 0.80 0.00 0.00 33.01 34.40 2g35 s GLN 45 CO 0.81 -0.59 -0.01 -1.21 -0.50 0.00 0.00 175.29 173.79 2g35 s GLU 46 N -3.91 0.08 0.03 1.67 2.02 -1.26 -0.71 118.70 116.63 2g35 s GLU 46 Ca 0.12 -0.09 -0.01 0.00 0.02 0.00 0.00 54.97 55.01 2g35 s GLU 46 Cb -0.01 -0.03 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 2g35 s GLU 46 CO -0.00 0.01 -0.03 -1.58 0.02 0.00 0.00 175.26 173.68 2g35 s TRP 47 N -0.18 0.35 0.12 1.61 0.52 0.61 -4.93 118.94 117.05 2g35 s TRP 47 Ca -0.02 -0.72 -0.22 0.00 0.02 0.00 0.00 56.10 55.16 2g35 s TRP 47 Cb -0.01 -0.26 -0.07 0.00 -1.15 0.00 0.00 33.47 31.97 2g35 s TRP 47 CO -0.00 -0.26 0.67 -1.12 0.02 0.00 0.00 176.95 176.25 2g35 s SER 48 N -2.00 7.20 0.47 2.95 0.01 -1.26 -0.09 113.70 120.97 2g35 s SER 48 Ca -0.07 1.43 0.22 0.00 1.31 0.00 0.00 55.95 58.83 2g35 s SER 48 Cb -0.03 -2.42 1.15 0.00 0.21 0.00 0.00 66.02 64.93 2g35 s SER 48 CO -0.04 0.23 1.97 0.25 0.41 0.00 0.00 173.24 176.06 2g35 h LEU 49 N 4.35 0.00 0.00 2.44 6.46 -1.77 -1.40 115.31 125.39 2g35 h LEU 49 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2g35 h LEU 49 Cb 1.21 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 2g35 h LEU 49 CO 0.65 0.20 0.00 0.35 -0.62 0.00 0.00 178.44 179.02 2g35 n THR 50 N -3.81 0.04 -0.01 1.05 -2.24 -1.26 -3.22 114.28 104.83 2g35 n THR 50 Ca -0.02 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 2g35 n THR 50 Cb 0.30 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.00 0.00 -1.80 3.42 -0.26 -1.61 -3.45 115.58 111.88 2g35 h ASN 51 Ca 0.00 -0.01 -0.63 0.00 -0.56 0.00 0.00 56.30 55.10 2g35 h ASN 51 Cb 0.19 -0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2g35 h ASN 51 CO 0.00 1.01 1.21 -0.38 -1.06 0.00 0.00 177.43 178.20 2g35 n ILE 52 N -3.09 0.46 -0.09 2.81 5.41 -1.20 -4.33 119.36 119.33 2g35 n ILE 52 Ca -0.15 -0.18 -0.20 0.00 1.00 0.00 0.00 62.75 63.22 2g35 n ILE 52 Cb 1.04 -1.88 -0.12 0.00 -0.71 0.00 0.00 39.64 37.97 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 10.51 0.02 -3.63 0.38 3.64 0.12 -3.49 116.57 124.12 2g35 h LYS 53 Ca -0.43 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 2g35 h LYS 53 Cb 1.28 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 2g35 h LYS 53 CO 0.97 1.02 -0.02 -0.98 -2.27 0.00 0.00 179.45 178.16 2g35 s ARG 54 N -2.34 1.90 0.28 1.90 1.70 -1.22 -4.99 118.95 116.18 2g35 s ARG 54 Ca -0.26 -1.49 -0.18 0.00 -0.47 0.00 0.00 55.73 53.33 2g35 s ARG 54 Cb 0.04 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 2g35 s ARG 54 CO 0.63 -0.82 0.66 1.67 -1.08 0.00 0.00 175.30 176.36 2g35 s TRP 55 N -3.16 0.01 -0.22 5.89 -2.14 -1.26 -1.24 118.94 116.81 2g35 s TRP 55 Ca 0.23 -0.46 -0.03 0.00 2.66 0.00 0.00 56.10 58.50 2g35 s TRP 55 Cb -0.02 0.58 0.11 0.00 -3.10 0.00 0.00 33.47 31.04 2g35 s TRP 55 CO 0.14 -1.21 0.30 0.00 -2.66 0.00 0.00 176.95 173.51 2g35 s ALA 56 N -3.75 -0.65 -0.42 2.67 0.00 -0.35 -4.96 121.76 114.29 2g35 s ALA 56 Ca 0.15 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.48 2g35 s ALA 56 Cb -0.04 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2g35 s ALA 56 CO 0.08 -1.25 0.37 0.00 0.00 0.00 0.00 175.76 174.96 2g35 s ALA 57 N 2.43 3.46 0.28 0.00 0.00 -1.26 -1.86 121.76 124.81 2g35 s ALA 57 Ca 0.10 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2g35 s ALA 57 Cb -0.16 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2g35 s ALA 57 CO -0.14 -1.54 0.45 -1.12 0.00 0.00 0.00 175.76 173.40 2g35 s SER 58 N 1.81 6.32 0.00 0.00 0.01 0.19 -4.79 113.70 117.24 2g35 s SER 58 Ca 0.08 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2g35 s SER 58 Cb -0.18 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2g35 s SER 58 CO 0.11 -0.17 0.30 -0.81 0.41 0.00 0.00 173.24 173.09 2g35 n PRO 59 N -1.47 0.00 0.00 12.44 -0.04 -1.26 -2.40 135.00 142.27 2g35 n PRO 59 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2g35 n PRO 59 Cb 0.56 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.79 1.35 -3.93 0.54 2.85 -1.14 -4.57 118.16 112.46 2g35 n LYS 60 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 2g35 n LYS 60 Cb 0.00 -0.11 -0.08 0.00 -0.65 0.00 0.00 35.03 34.19 2g35 n LYS 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2g35 s SER 61 N 0.00 0.20 -0.01 -5.58 0.15 -0.99 0.27 113.70 107.75 2g35 s SER 61 Ca 0.00 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 55.92 2g35 s SER 61 Cb 0.00 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.62 2g35 s SER 61 CO 0.00 -0.72 -0.14 0.12 1.20 0.00 0.00 173.24 173.70 2g35 s PHE 62 N -3.89 1.25 0.01 3.44 5.36 -0.49 0.56 117.98 124.21 2g35 s PHE 62 Ca 0.08 -0.24 0.01 0.00 -0.96 0.00 0.00 56.93 55.82 2g35 s PHE 62 Cb 0.06 -0.80 -0.01 0.00 -0.34 0.00 0.00 43.02 41.93 2g35 s PHE 62 CO -0.09 -0.02 -0.05 0.99 -1.46 0.00 0.00 175.22 174.59 2g35 s THR 63 N -0.36 0.35 0.06 0.12 2.01 -0.78 -1.81 115.64 115.23 2g35 s THR 63 Ca 0.05 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.52 2g35 s THR 63 Cb -0.06 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2g35 s THR 63 CO -0.00 -0.13 -0.06 -1.48 -0.69 0.00 0.00 174.62 172.25 2g35 s LEU 64 N -0.72 2.38 -0.09 4.42 0.05 -0.88 -1.21 118.68 122.63 2g35 s LEU 64 Ca -0.04 -0.77 0.01 0.00 0.05 0.00 0.00 54.13 53.37 2g35 s LEU 64 Cb -0.05 -0.03 0.02 0.00 -2.05 0.00 0.00 46.19 44.08 2g35 s LEU 64 CO -0.00 -0.37 -0.09 -1.81 -0.55 0.00 0.00 176.35 173.53 2g35 s ASP 65 N -2.27 1.90 0.00 1.48 1.11 -0.37 -2.47 116.67 116.04 2g35 s ASP 65 Ca -0.01 -0.28 0.25 0.00 0.18 0.00 0.00 52.55 52.69 2g35 s ASP 65 Cb -0.02 -0.79 1.14 0.00 1.07 0.00 0.00 42.92 44.32 2g35 s ASP 65 CO -0.03 -0.06 1.77 0.49 1.18 0.00 0.00 175.17 178.52 2g35 n PHE 66 N 4.43 0.06 0.00 4.23 3.72 -1.26 0.15 117.46 128.80 2g35 n PHE 66 Ca -0.17 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2g35 n PHE 66 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.05 1.98 3.22 1.37 0.00 -1.26 -4.60 105.19 106.95 2g35 n GLY 67 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 5.02 -0.34 1.61 9.92 -1.26 -4.80 116.55 126.71 2g35 n ASP 68 Ca 0.00 -3.00 0.21 0.00 -0.53 0.00 0.00 54.79 51.46 2g35 n ASP 68 Cb 0.00 -1.57 0.43 0.00 -0.64 0.00 0.00 41.12 39.34 2g35 n ASP 68 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2g35 h TYR 69 N 6.64 0.97 0.05 1.24 3.20 -1.92 0.14 116.97 127.29 2g35 h TYR 69 Ca 0.38 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.32 2g35 h TYR 69 Cb 0.77 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2g35 h TYR 69 CO 1.23 -0.06 -0.26 -0.56 -1.64 0.00 0.00 178.16 176.86 2g35 h GLN 70 N 0.45 -0.42 -0.34 1.82 -0.00 -2.03 -0.70 115.11 113.89 2g35 h GLN 70 Ca 0.69 0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 59.37 2g35 h GLN 70 Cb 1.45 0.09 -0.02 0.00 -0.00 0.00 0.00 27.48 29.01 2g35 h GLN 70 CO -0.54 -0.28 0.20 0.22 -0.00 0.00 0.00 178.83 178.43 2g35 h ASP 71 N -0.43 0.40 -4.91 0.06 1.82 -1.18 -3.48 116.42 108.70 2g35 h ASP 71 Ca 0.05 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2g35 h ASP 71 Cb 0.49 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2g35 h ASP 71 CO -0.20 0.31 0.00 0.61 -1.61 0.00 0.00 179.24 178.36 2g35 n GLY 72 N -1.42 1.38 3.93 -0.78 0.00 -0.27 -5.03 105.19 103.00 2g35 n GLY 72 Ca 0.02 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.47 1.92 -0.22 1.61 2.02 -1.26 -4.79 117.35 114.15 2g35 s TYR 73 Ca 0.00 0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 57.01 2g35 s TYR 73 Cb 0.00 -3.81 0.07 0.00 -0.40 0.00 0.00 41.96 37.81 2g35 s TYR 73 CO 0.00 -2.30 0.02 -0.47 -1.57 0.00 0.00 175.55 171.23 2g35 s TYR 74 N -3.70 1.49 0.08 2.71 5.04 -1.03 -5.02 117.35 116.92 2g35 s TYR 74 Ca 0.70 -1.23 0.09 0.00 -2.44 0.00 0.00 57.07 54.18 2g35 s TYR 74 Cb -0.06 -1.28 -0.03 0.00 0.35 0.00 0.00 41.96 40.94 2g35 s TYR 74 CO 0.51 -0.70 -0.23 -1.12 -1.34 0.00 0.00 175.55 172.67 2g35 s SER 75 N 1.70 2.74 0.26 4.32 0.01 -1.26 -2.07 113.70 119.39 2g35 s SER 75 Ca -0.00 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.51 2g35 s SER 75 Cb -0.18 -0.19 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 2g35 s SER 75 CO -0.10 0.14 0.47 0.68 0.41 0.00 0.00 173.24 174.84 2g35 s VAL 76 N -0.98 0.00 0.26 3.43 -7.23 -0.75 -4.93 120.40 110.19 2g35 s VAL 76 Ca 0.09 -1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 2g35 s VAL 76 Cb -0.10 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 2g35 s VAL 76 CO 0.04 0.00 0.96 -1.10 -0.31 0.00 0.00 175.10 174.69 2g35 s GLN 77 N -3.85 4.79 -0.25 4.82 -1.52 0.15 -1.39 119.66 122.41 2g35 s GLN 77 Ca 0.24 1.52 -0.02 0.00 -1.95 0.00 0.00 55.36 55.14 2g35 s GLN 77 Cb -0.00 -3.20 0.14 0.00 -0.22 0.00 0.00 33.01 29.72 2g35 s GLN 77 CO 0.11 0.44 0.40 0.95 -0.25 0.00 0.00 175.29 176.93 2g35 s THR 78 N -1.23 -0.64 -0.03 -0.19 -4.23 0.78 -2.79 115.64 107.31 2g35 s THR 78 Ca 0.43 -0.07 0.30 0.00 -1.18 0.00 0.00 61.69 61.17 2g35 s THR 78 Cb -0.26 -0.83 0.31 0.00 1.34 0.00 0.00 72.50 73.06 2g35 s THR 78 CO 0.32 -0.12 1.90 0.74 -0.54 0.00 0.00 174.62 176.92 2g35 h THR 79 N 6.17 0.00 -0.60 3.99 2.02 -1.81 -2.60 112.91 120.08 2g35 h THR 79 Ca -0.20 -0.16 -0.29 0.00 0.77 0.00 0.00 66.41 66.53 2g35 h THR 79 Cb 1.16 0.93 -0.34 0.00 -1.74 0.00 0.00 68.15 68.15 2g35 h THR 79 CO 0.27 0.00 -0.96 -1.84 0.37 0.00 0.00 175.52 173.36 2g35 n GLU 80 N -2.60 1.34 0.00 6.66 0.28 -1.26 -4.60 120.64 120.46 2g35 n GLU 80 Ca -0.00 -2.92 0.00 0.00 -0.16 0.00 0.00 57.16 54.08 2g35 n GLU 80 Cb 0.15 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.01 2g35 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g35 n GLY 81 N -0.43 -0.29 0.29 -1.84 0.00 -1.16 -2.06 105.19 99.70 2g35 n GLY 81 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.65 -0.74 1.61 4.81 -1.87 -2.25 114.58 115.50 2g35 h GLU 82 Ca 0.00 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.41 2g35 h GLU 82 Cb 0.09 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.53 2g35 h GLU 82 CO 0.00 -0.35 0.30 1.96 -0.73 0.00 0.00 179.01 180.20 2g35 h GLN 83 N -1.01 0.45 -0.68 1.92 4.20 -1.83 1.03 115.11 119.19 2g35 h GLN 83 Ca -0.07 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.76 2g35 h GLN 83 Cb 0.60 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2g35 h GLN 83 CO 0.11 0.30 0.46 0.82 -0.67 0.00 0.00 178.83 179.86 2g35 h ILE 84 N 0.47 0.79 0.01 2.54 2.04 -1.61 1.54 117.51 123.28 2g35 h ILE 84 Ca 0.40 -0.10 -0.25 0.00 1.00 0.00 0.00 64.86 65.91 2g35 h ILE 84 Cb 0.57 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2g35 h ILE 84 CO -0.38 0.05 -1.30 0.00 0.00 0.00 0.00 178.15 176.53 2g35 h ALA 85 N 1.67 0.51 0.02 1.87 0.00 0.14 -2.56 119.26 120.90 2g35 h ALA 85 Ca 0.33 -1.13 -0.24 0.00 0.00 0.00 0.00 54.91 53.87 2g35 h ALA 85 Cb 0.87 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2g35 h ALA 85 CO -0.08 1.37 -1.00 0.37 0.00 0.00 0.00 179.25 179.91 2g35 h GLN 86 N 0.00 0.45 -0.36 0.00 4.15 0.36 1.13 115.11 120.84 2g35 h GLN 86 Ca -0.13 -0.51 -0.16 0.00 0.77 0.00 0.00 58.65 58.62 2g35 h GLN 86 Cb 1.88 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 29.71 2g35 h GLN 86 CO 0.11 1.16 -0.40 1.25 -1.93 0.00 0.00 178.83 179.02 2g35 h LEU 87 N 0.24 0.94 0.11 -2.39 5.85 0.19 -1.99 115.31 118.27 2g35 h LEU 87 Ca -0.10 -0.43 -0.15 0.00 0.84 0.00 0.00 57.88 58.04 2g35 h LEU 87 Cb 1.64 -0.26 0.02 0.00 0.37 0.00 0.00 40.66 42.43 2g35 h LEU 87 CO 0.18 1.22 -0.65 0.40 -0.34 0.00 0.00 178.44 179.25 2g35 h ILE 88 N 0.71 1.57 0.00 4.05 1.08 -1.43 -2.95 117.51 120.54 2g35 h ILE 88 Ca 0.05 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 2g35 h ILE 88 Cb 0.98 3.25 0.00 0.00 -3.07 0.00 0.00 36.82 37.98 2g35 h ILE 88 CO 0.09 0.70 0.11 0.00 -0.69 0.00 0.00 178.15 178.36 2g35 h ALA 89 N 0.06 1.09 0.01 1.87 0.00 0.13 0.34 119.26 122.76 2g35 h ALA 89 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 2g35 h ALA 89 Cb 1.51 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 2g35 h ALA 89 CO 0.12 -0.09 -1.63 0.78 0.00 0.00 0.00 179.25 178.43 2g35 h GLY 90 N 0.00 0.03 2.00 0.00 0.00 -1.29 -3.33 103.07 100.48 2g35 h GLY 90 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 2g35 h GLY 90 CO 0.00 0.06 -0.65 -0.97 0.00 0.00 0.00 176.54 174.98 2g35 h TYR 91 N 0.01 0.00 0.00 5.60 0.05 -0.78 -3.14 116.97 118.71 2g35 h TYR 91 Ca -0.26 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.46 2g35 h TYR 91 Cb 1.99 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.72 2g35 h TYR 91 CO 0.01 0.65 -0.28 0.82 -1.05 0.00 0.00 178.16 178.31 2g35 h ILE 92 N 0.00 0.80 0.00 -2.88 2.04 -1.53 -2.20 117.51 113.74 2g35 h ILE 92 Ca -0.01 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 2g35 h ILE 92 Cb 1.41 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2g35 h ILE 92 CO 0.08 0.28 -0.62 0.44 0.00 0.00 0.00 178.15 178.33 2g35 h ASP 93 N 0.00 0.00 0.77 1.72 3.32 -1.65 -3.07 116.42 117.51 2g35 h ASP 93 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 2g35 h ASP 93 Cb 0.68 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 2g35 h ASP 93 CO 0.04 0.15 -1.35 0.40 -1.72 0.00 0.00 179.24 176.76 2g35 h ILE 94 N 0.00 0.87 0.17 0.35 2.04 -1.44 -3.03 117.51 116.47 2g35 h ILE 94 Ca -0.02 -2.52 -0.32 0.00 1.00 0.00 0.00 64.86 63.00 2g35 h ILE 94 Cb 1.13 2.36 0.01 0.00 -0.74 0.00 0.00 36.82 39.58 2g35 h ILE 94 CO 0.02 0.50 -1.55 0.16 0.00 0.00 0.00 178.15 177.28 2g35 h ILE 95 N 0.00 1.17 0.00 -0.67 3.07 -1.51 -3.16 117.51 116.40 2g35 h ILE 95 Ca -0.16 -2.73 -0.04 0.00 1.55 0.00 0.00 64.86 63.47 2g35 h ILE 95 Cb 1.75 2.85 -0.01 0.00 -0.27 0.00 0.00 36.82 41.14 2g35 h ILE 95 CO 0.07 0.84 -0.20 -0.07 -1.05 0.00 0.00 178.15 177.74 2g35 h LEU 96 N 0.10 0.00 0.41 0.16 3.38 -1.68 -2.45 115.31 115.22 2g35 h LEU 96 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2g35 h LEU 96 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 2g35 h LEU 96 CO 0.20 0.20 -0.20 0.50 0.09 0.00 0.00 178.44 179.23 2g35 h LYS 97 N 0.00 -0.53 -0.74 1.13 3.64 -1.57 -0.96 116.57 117.54 2g35 h LYS 97 Ca -0.00 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.56 2g35 h LYS 97 Cb 0.78 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 2g35 h LYS 97 CO 0.03 -0.35 0.50 0.87 -2.27 0.00 0.00 179.45 178.22 2g35 h LYS 98 N -1.09 0.39 -0.03 1.90 1.57 -1.59 0.31 116.57 118.05 2g35 h LYS 98 Ca -0.06 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 2g35 h LYS 98 Cb 0.42 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2g35 h LYS 98 CO 0.09 0.26 -0.54 0.87 -0.57 0.00 0.00 179.45 179.56 2g35 h LYS 99 N 0.40 0.07 0.00 3.15 1.79 -1.41 -3.52 116.57 117.05 2g35 h LYS 99 Ca 0.36 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2g35 h LYS 99 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2g35 h LYS 99 CO -0.11 0.60 0.00 1.17 -1.08 0.00 0.00 179.45 180.02