#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qud n GLY -2 N 0.00 0.12 3.67 -0.02 0.00 -1.26 -4.99 105.19 102.71 2qud n GLY -2 Ca 0.00 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2qud n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qud n SER -1 N -0.84 2.23 -4.55 1.61 3.41 -1.26 -4.99 113.62 109.22 2qud n SER -1 Ca 0.00 1.13 -0.29 0.00 -0.26 0.00 0.00 58.87 59.45 2qud n SER -1 Cb 0.00 -1.45 0.22 0.00 -0.26 0.00 0.00 64.21 62.73 2qud n SER -1 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qud s MET 0 N -2.02 -0.36 0.30 4.33 0.23 -1.26 -4.96 119.30 115.58 2qud s MET 0 Ca 0.60 0.92 -0.29 0.00 -1.03 0.00 0.00 55.69 55.88 2qud s MET 0 Cb -0.55 -1.61 -0.10 0.00 -1.53 0.00 0.00 34.83 31.03 2qud s MET 0 CO 0.59 -3.37 1.40 0.45 -2.03 0.00 0.00 175.02 172.06 2qud s SER 1 N -2.70 6.64 0.46 -1.18 0.15 -1.26 -4.96 113.70 110.85 2qud s SER 1 Ca 0.67 2.75 -0.23 0.00 0.70 0.00 0.00 55.95 59.85 2qud s SER 1 Cb -0.23 -2.64 -0.08 0.00 -1.71 0.00 0.00 66.02 61.36 2qud s SER 1 CO 0.62 -0.67 1.14 -0.54 1.20 0.00 0.00 173.24 174.99 2qud s LYS 2 N -1.23 3.78 0.18 5.44 1.02 -1.26 -4.83 119.74 122.85 2qud s LYS 2 Ca 0.54 1.69 0.03 0.00 0.02 0.00 0.00 55.97 58.26 2qud s LYS 2 Cb -0.42 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.47 2qud s LYS 2 CO 0.51 -0.51 -0.04 0.95 -0.92 0.00 0.00 175.35 175.33 2qud s THR 3 N -1.61 0.98 -0.04 2.17 -4.23 -1.26 -0.58 115.64 111.07 2qud s THR 3 Ca 0.64 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 2qud s THR 3 Cb -0.26 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.50 2qud s THR 3 CO 0.32 -0.53 -0.08 -0.51 -0.54 0.00 0.00 174.62 173.29 2qud s ILE 4 N -3.45 0.75 -0.22 2.99 2.07 -0.39 -5.00 121.20 117.96 2qud s ILE 4 Ca 0.23 -0.28 -0.04 0.00 -1.41 0.00 0.00 60.65 59.15 2qud s ILE 4 Cb 0.05 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 2qud s ILE 4 CO 0.04 0.26 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.62 2qud s VAL 5 N 0.66 3.55 -0.20 4.00 1.01 -1.26 -0.83 120.40 127.32 2qud s VAL 5 Ca -0.11 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 2qud s VAL 5 Cb -0.13 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 2qud s VAL 5 CO 0.01 0.42 0.19 -0.76 0.00 0.00 0.00 175.10 174.96 2qud s LEU 6 N 1.35 4.19 -0.11 3.92 1.43 0.32 -4.95 118.68 124.83 2qud s LEU 6 Ca 0.04 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2qud s LEU 6 Cb -0.14 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2qud s LEU 6 CO -0.01 0.12 -0.03 -0.94 0.23 0.00 0.00 176.35 175.71 2qud s SER 7 N 0.61 4.90 -0.56 2.29 1.04 -1.26 -0.10 113.70 120.61 2qud s SER 7 Ca 0.10 -0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.57 2qud s SER 7 Cb -0.12 -1.50 0.14 0.00 0.10 0.00 0.00 66.02 64.64 2qud s SER 7 CO 0.01 0.29 0.31 -0.69 0.98 0.00 0.00 173.24 174.15 2qud s VAL 8 N -0.39 2.67 0.00 5.02 1.01 -0.16 -5.00 120.40 123.56 2qud s VAL 8 Ca 0.06 -3.51 0.00 0.00 0.00 0.00 0.00 61.98 58.53 2qud s VAL 8 Cb -0.12 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2qud s VAL 8 CO 0.02 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 174.89 2qud n GLY 9 N 2.88 1.30 0.22 4.51 0.00 -1.26 -2.55 105.19 110.30 2qud n GLY 9 Ca 0.08 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.57 2qud n GLY 9 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2qud h GLU 10 N 0.00 0.00 -7.01 1.61 -0.00 -2.02 -3.45 114.58 103.70 2qud h GLU 10 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 59.36 58.87 2qud h GLU 10 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 28.75 28.79 2qud h GLU 10 CO 0.00 0.25 0.44 0.00 -0.00 0.00 0.00 179.01 179.70 2qud s ALA 11 N -4.01 2.95 0.03 1.06 0.00 -1.06 -5.07 121.76 115.67 2qud s ALA 11 Ca -0.02 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.76 2qud s ALA 11 Cb 0.13 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2qud s ALA 11 CO 0.65 -0.48 -0.09 0.95 0.00 0.00 0.00 175.76 176.79 2qud s THR 12 N -1.68 0.66 -0.13 0.00 -4.23 -1.26 -0.99 115.64 108.00 2qud s THR 12 Ca 0.64 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 2qud s THR 12 Cb -0.24 -0.66 0.02 0.00 1.34 0.00 0.00 72.50 72.97 2qud s THR 12 CO 0.29 -0.19 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.93 2qud s ARG 13 N -1.19 1.98 -0.23 3.99 1.81 0.85 -4.98 118.95 121.18 2qud s ARG 13 Ca -0.05 -0.43 -0.08 0.00 -1.72 0.00 0.00 55.73 53.45 2qud s ARG 13 Cb -0.08 -1.90 -0.03 0.00 -0.45 0.00 0.00 34.95 32.49 2qud s ARG 13 CO 0.01 -0.25 0.08 0.99 -0.68 0.00 0.00 175.30 175.44 2qud s THR 14 N 1.58 4.50 -0.18 0.02 2.01 -1.26 -0.52 115.64 121.78 2qud s THR 14 Ca 0.05 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 2qud s THR 14 Cb -0.13 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 2qud s THR 14 CO -0.10 0.36 0.20 -0.76 -0.69 0.00 0.00 174.62 173.63 2qud s LEU 15 N 1.29 4.22 -0.10 4.42 1.43 -0.01 -4.25 118.68 125.68 2qud s LEU 15 Ca 0.05 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2qud s LEU 15 Cb -0.15 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2qud s LEU 15 CO 0.04 0.15 -0.11 -0.89 0.23 0.00 0.00 176.35 175.77 2qud s THR 16 N 0.40 3.30 0.07 5.49 2.01 0.23 -1.26 115.64 125.88 2qud s THR 16 Ca 0.11 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 2qud s THR 16 Cb -0.12 -2.36 -0.08 0.00 0.01 0.00 0.00 72.50 69.95 2qud s THR 16 CO 0.00 0.56 1.63 -0.70 -0.69 0.00 0.00 174.62 175.42 2qud s GLU 17 N -0.20 4.20 -0.00 4.92 2.12 0.26 -0.42 118.70 129.57 2qud s GLU 17 Ca 0.01 2.31 0.07 0.00 0.36 0.00 0.00 54.97 57.72 2qud s GLU 17 Cb -0.13 -3.58 -0.09 0.00 0.26 0.00 0.00 34.13 30.59 2qud s GLU 17 CO 0.03 -0.72 0.23 0.44 -0.54 0.00 0.00 175.26 174.69 2qud n ILE 18 N 4.70 0.00 -3.74 -3.70 -5.35 0.32 -4.70 119.36 106.88 2qud n ILE 18 Ca 0.16 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 2qud n ILE 18 Cb 0.41 0.69 -0.11 0.00 -1.74 0.00 0.00 39.64 38.89 2qud n ILE 18 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2qud s GLN 19 N -2.04 0.40 -0.25 6.28 0.74 -1.08 -4.98 119.66 118.73 2qud s GLN 19 Ca 0.00 0.54 -0.03 0.00 0.05 0.00 0.00 55.36 55.92 2qud s GLN 19 Cb 0.05 0.15 0.11 0.00 1.10 0.00 0.00 33.01 34.41 2qud s GLN 19 CO 0.28 -0.07 0.21 0.45 -0.55 0.00 0.00 175.29 175.61 2qud s SER 20 N 0.44 2.19 0.49 6.67 0.15 -1.26 -1.32 113.70 121.05 2qud s SER 20 Ca -0.02 -0.74 0.02 0.00 0.70 0.00 0.00 55.95 55.90 2qud s SER 20 Cb -0.04 0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2qud s SER 20 CO -0.02 -0.38 0.06 0.35 1.20 0.00 0.00 173.24 174.45 2qud n THR 21 N 5.29 0.00 -0.31 6.45 -2.24 -0.31 -5.01 114.28 118.15 2qud n THR 21 Ca -0.05 -2.47 0.11 0.00 -2.27 0.00 0.00 64.05 59.37 2qud n THR 21 Cb 0.46 0.64 0.33 0.00 -2.10 0.00 0.00 70.33 69.67 2qud n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qud h ALA 22 N 1.43 1.73 0.03 6.98 0.00 -2.03 -3.19 119.26 124.21 2qud h ALA 22 Ca -0.40 0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.22 2qud h ALA 22 Cb 1.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2qud h ALA 22 CO 0.65 0.01 -1.87 -0.25 0.00 0.00 0.00 179.25 177.79 2qud n ASP 23 N -4.61 1.18 -3.61 0.00 8.00 -1.26 -5.00 116.55 111.26 2qud n ASP 23 Ca 0.19 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.91 2qud n ASP 23 Cb 0.46 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 2qud n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qud s ARG 24 N -2.58 1.33 0.08 -1.24 1.70 -1.21 -4.71 118.95 112.32 2qud s ARG 24 Ca -0.11 -0.61 0.04 0.00 -0.47 0.00 0.00 55.73 54.58 2qud s ARG 24 Cb 0.07 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 2qud s ARG 24 CO 0.80 -0.59 0.02 -0.65 -1.08 0.00 0.00 175.30 173.80 2qud s GLN 25 N -3.61 2.64 -0.06 3.89 -0.21 0.52 -1.16 119.66 121.67 2qud s GLN 25 Ca 0.06 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.67 2qud s GLN 25 Cb -0.02 -2.59 0.01 0.00 1.00 0.00 0.00 33.01 31.40 2qud s GLN 25 CO -0.04 0.55 -0.11 0.42 -2.12 0.00 0.00 175.29 173.99 2qud s ILE 26 N -1.32 1.01 0.01 1.08 1.01 -0.43 -0.83 121.20 121.72 2qud s ILE 26 Ca 0.26 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.57 2qud s ILE 26 Cb -0.12 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2qud s ILE 26 CO 0.19 0.32 -0.21 -0.36 0.00 0.00 0.00 174.94 174.88 2qud s PHE 27 N 0.62 2.47 0.02 3.97 0.40 0.75 -0.52 117.98 125.70 2qud s PHE 27 Ca -0.12 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 2qud s PHE 27 Cb -0.15 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 2qud s PHE 27 CO 0.03 0.13 -0.08 -2.00 0.70 0.00 0.00 175.22 174.00 2qud s GLU 28 N -1.04 0.57 -0.50 0.44 2.12 0.44 -0.86 118.70 119.87 2qud s GLU 28 Ca 0.12 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 2qud s GLU 28 Cb -0.10 -0.46 0.03 0.00 0.26 0.00 0.00 34.13 33.85 2qud s GLU 28 CO 0.02 0.11 1.17 -2.00 -0.54 0.00 0.00 175.26 174.02 2qud s GLU 29 N -0.94 3.65 -1.42 4.30 2.12 -0.17 -0.60 118.70 125.64 2qud s GLU 29 Ca -0.03 0.50 -0.11 0.00 0.36 0.00 0.00 54.97 55.68 2qud s GLU 29 Cb -0.07 -3.95 0.07 0.00 0.26 0.00 0.00 34.13 30.45 2qud s GLU 29 CO 0.00 -1.48 2.25 1.63 -0.54 0.00 0.00 175.26 177.12 2qud n LYS 30 N 8.04 3.39 -3.93 4.30 5.02 -1.26 -4.52 118.16 129.19 2qud n LYS 30 Ca 0.11 -2.91 -0.10 0.00 -2.02 0.00 0.00 58.31 53.39 2qud n LYS 30 Cb 0.49 -3.04 -0.12 0.00 -0.02 0.00 0.00 35.03 32.34 2qud n LYS 30 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qud s VAL 31 N 1.75 0.07 0.02 -0.18 -7.23 -1.26 -5.12 120.40 108.45 2qud s VAL 31 Ca 0.49 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2qud s VAL 31 Cb 0.14 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.87 2qud s VAL 31 CO -0.06 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 2qud n GLY 32 N 2.04 -1.61 3.74 2.32 0.00 -1.26 -4.84 105.19 105.57 2qud n GLY 32 Ca -0.20 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 2qud n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qud s PRO 33 N -0.17 1.91 0.21 1.61 0.04 -1.26 -4.92 135.00 132.41 2qud s PRO 33 Ca 0.00 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 2qud s PRO 33 Cb 0.00 -1.85 0.15 0.00 0.04 0.00 0.00 34.50 32.84 2qud s PRO 33 CO 0.00 -1.92 1.78 -0.07 0.04 0.00 0.00 177.00 176.83 2qud h LEU 34 N -1.26 1.04 -9.43 -3.56 4.07 -1.99 -3.39 115.31 100.80 2qud h LEU 34 Ca -0.44 -0.16 -0.54 0.00 0.08 0.00 0.00 57.88 56.83 2qud h LEU 34 Cb 1.24 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 42.73 2qud h LEU 34 CO 0.48 0.92 0.92 -0.69 -1.08 0.00 0.00 178.44 178.99 2qud s VAL 35 N -5.60 3.27 0.00 1.22 1.01 -1.26 -2.60 120.40 116.44 2qud s VAL 35 Ca -0.13 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2qud s VAL 35 Cb 0.15 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2qud s VAL 35 CO 0.83 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.54 2qud n GLY 36 N 3.83 0.71 3.77 4.51 0.00 -1.26 -4.88 105.19 111.87 2qud n GLY 36 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2qud n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qud s ARG 37 N -0.65 4.21 0.22 1.61 0.52 -1.07 -4.32 118.95 119.47 2qud s ARG 37 Ca 0.00 2.43 -0.32 0.00 -0.52 0.00 0.00 55.73 57.32 2qud s ARG 37 Cb 0.00 -3.02 -0.13 0.00 0.52 0.00 0.00 34.95 32.31 2qud s ARG 37 CO 0.00 -0.42 1.50 -0.11 0.02 0.00 0.00 175.30 176.29 2qud n LEU 38 N 0.98 3.33 -4.09 2.53 7.94 -1.26 -4.72 117.00 121.71 2qud n LEU 38 Ca 0.02 1.12 -0.17 0.00 -1.11 0.00 0.00 56.01 55.87 2qud n LEU 38 Cb 0.40 -1.46 -0.13 0.00 0.53 0.00 0.00 43.42 42.76 2qud n LEU 38 CO 0.62 -0.30 -0.43 -0.13 -1.11 0.00 0.00 177.39 176.03 2qud s ARG 39 N 0.05 0.72 -0.11 1.96 0.52 -0.74 -1.00 118.95 120.34 2qud s ARG 39 Ca 0.71 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 2qud s ARG 39 Cb -0.63 -0.65 0.02 0.00 0.52 0.00 0.00 34.95 34.21 2qud s ARG 39 CO 0.45 0.16 -0.10 -1.17 0.02 0.00 0.00 175.30 174.66 2qud s LEU 40 N -1.10 1.37 -0.09 2.53 2.96 -0.04 -0.59 118.68 123.72 2qud s LEU 40 Ca -0.02 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2qud s LEU 40 Cb -0.07 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 2qud s LEU 40 CO 0.01 -0.08 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.03 2qud s THR 41 N 1.47 3.97 -0.01 3.68 2.01 -0.13 -0.17 115.64 126.45 2qud s THR 41 Ca 0.01 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2qud s THR 41 Cb -0.13 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.73 2qud s THR 41 CO -0.06 0.58 -0.03 0.00 -0.69 0.00 0.00 174.62 174.42 2qud s ALA 42 N -0.65 0.34 0.04 7.40 0.00 -0.01 -0.38 121.76 128.50 2qud s ALA 42 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 2qud s ALA 42 Cb -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2qud s ALA 42 CO 0.02 0.04 -0.01 -1.54 0.00 0.00 0.00 175.76 174.26 2qud s SER 43 N 0.26 0.37 -0.10 0.00 1.04 -0.15 -0.35 113.70 114.76 2qud s SER 43 Ca -0.02 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 2qud s SER 43 Cb -0.05 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.29 2qud s SER 43 CO -0.01 -0.49 0.16 -0.22 0.98 0.00 0.00 173.24 173.67 2qud s LEU 44 N -2.35 -0.05 0.19 2.42 2.96 -1.26 -1.25 118.68 119.34 2qud s LEU 44 Ca -0.02 0.21 0.09 0.00 -0.22 0.00 0.00 54.13 54.19 2qud s LEU 44 Cb 0.01 0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.91 2qud s LEU 44 CO -0.06 -0.26 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.39 2qud s ARG 45 N 2.29 1.35 0.13 1.98 1.81 -0.25 -4.97 118.95 121.28 2qud s ARG 45 Ca 0.04 -1.49 -0.08 0.00 -1.72 0.00 0.00 55.73 52.48 2qud s ARG 45 Cb -0.13 -1.39 -0.06 0.00 -0.45 0.00 0.00 34.95 32.92 2qud s ARG 45 CO -0.07 0.27 0.41 -0.65 -0.68 0.00 0.00 175.30 174.59 2qud s GLN 46 N -3.00 3.70 1.03 3.54 -0.21 -1.26 -1.08 119.66 122.38 2qud s GLN 46 Ca 0.19 0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.52 2qud s GLN 46 Cb -0.05 -2.88 0.20 0.00 1.00 0.00 0.00 33.01 31.28 2qud s GLN 46 CO 0.08 0.49 1.08 0.54 -2.12 0.00 0.00 175.29 175.35 2qud s ASN 47 N -2.14 2.31 0.25 5.90 4.22 -0.48 -4.89 114.94 120.11 2qud s ASN 47 Ca 0.38 1.37 -0.05 0.00 -2.14 0.00 0.00 52.86 52.42 2qud s ASN 47 Cb -0.13 -2.06 0.32 0.00 1.28 0.00 0.00 41.25 40.66 2qud s ASN 47 CO 0.21 -3.35 1.89 1.23 -2.04 0.00 0.00 177.10 175.04 2qud h GLY 48 N -2.04 1.39 2.00 0.45 0.00 -1.99 -2.28 103.07 100.60 2qud h GLY 48 Ca -0.55 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.31 2qud h GLY 48 CO 0.54 0.39 0.00 0.00 0.00 0.00 0.00 176.54 177.47 2qud n ALA 49 N -2.36 1.87 -3.19 3.60 0.00 -1.26 -4.92 120.51 114.26 2qud n ALA 49 Ca 0.13 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 2qud n ALA 49 Cb 0.11 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.22 2qud n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qud n LYS 50 N -2.05 -5.51 0.00 0.00 5.02 -0.86 -4.92 118.16 109.84 2qud n LYS 50 Ca 0.04 0.70 0.04 0.00 -2.02 0.00 0.00 58.31 57.07 2qud n LYS 50 Cb 0.28 -5.24 -0.04 0.00 -0.02 0.00 0.00 35.03 30.01 2qud n LYS 50 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2qud n THR 51 N -4.44 0.00 -3.76 -0.18 -2.24 -1.26 -4.94 114.28 97.46 2qud n THR 51 Ca -0.03 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 2qud n THR 51 Cb 0.57 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 2qud n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qud s ALA 52 N -1.73 -0.79 0.12 6.98 0.00 -1.26 -0.83 121.76 124.25 2qud s ALA 52 Ca 0.05 -0.31 0.11 0.00 0.00 0.00 0.00 51.96 51.81 2qud s ALA 52 Cb 0.07 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 2qud s ALA 52 CO 0.34 -0.76 -0.26 0.71 0.00 0.00 0.00 175.76 175.79 2qud s TYR 53 N -3.88 2.24 -0.19 0.00 2.02 0.91 -1.38 117.35 117.08 2qud s TYR 53 Ca 0.10 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2qud s TYR 53 Cb -0.00 -1.22 0.03 0.00 -0.40 0.00 0.00 41.96 40.37 2qud s TYR 53 CO -0.03 0.32 -0.14 1.03 -1.57 0.00 0.00 175.55 175.16 2qud s ARG 54 N -2.02 2.37 -0.22 -0.62 1.81 -0.24 -1.33 118.95 118.70 2qud s ARG 54 Ca 0.13 -0.82 -0.11 0.00 -1.72 0.00 0.00 55.73 53.21 2qud s ARG 54 Cb -0.10 -2.42 -0.05 0.00 -0.45 0.00 0.00 34.95 31.93 2qud s ARG 54 CO 0.06 -0.33 0.19 0.08 -0.68 0.00 0.00 175.30 174.62 2qud s VAL 55 N 1.36 5.34 -0.11 3.52 1.01 -0.05 -1.09 120.40 130.39 2qud s VAL 55 Ca 0.01 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2qud s VAL 55 Cb -0.15 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 2qud s VAL 55 CO -0.10 0.35 -0.22 0.20 0.00 0.00 0.00 175.10 175.34 2qud s ASN 56 N 0.90 3.26 -0.04 3.32 -0.87 -0.38 -0.77 114.94 120.36 2qud s ASN 56 Ca 0.10 -0.52 0.04 0.00 -1.57 0.00 0.00 52.86 50.91 2qud s ASN 56 Cb -0.13 -1.45 -0.00 0.00 -0.02 0.00 0.00 41.25 39.64 2qud s ASN 56 CO 0.04 0.15 -0.18 -0.76 -2.57 0.00 0.00 177.10 173.78 2qud s LEU 57 N 0.40 1.93 -0.20 0.60 1.43 -0.69 -0.98 118.68 121.18 2qud s LEU 57 Ca -0.16 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2qud s LEU 57 Cb -0.17 -1.00 0.06 0.00 0.03 0.00 0.00 46.19 45.10 2qud s LEU 57 CO 0.07 0.16 0.02 -0.75 0.23 0.00 0.00 176.35 176.09 2qud s LYS 58 N 0.00 0.76 -0.32 1.70 2.20 0.49 -0.05 119.74 124.52 2qud s LYS 58 Ca -0.03 -0.48 -0.17 0.00 -0.36 0.00 0.00 55.97 54.93 2qud s LYS 58 Cb -0.11 -2.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.04 2qud s LYS 58 CO 0.02 -0.63 0.46 -1.17 -0.36 0.00 0.00 175.35 173.67 2qud s LEU 59 N 1.81 4.27 -0.25 5.43 2.96 -0.79 -0.96 118.68 131.15 2qud s LEU 59 Ca -0.01 0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 2qud s LEU 59 Cb -0.17 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2qud s LEU 59 CO -0.08 -0.37 0.04 -1.81 -1.32 0.00 0.00 176.35 172.81 2qud s ASP 60 N 1.71 4.90 -0.35 3.68 1.01 0.24 -1.27 116.67 126.60 2qud s ASP 60 Ca 0.17 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.07 2qud s ASP 60 Cb -0.16 -1.86 0.09 0.00 1.01 0.00 0.00 42.92 42.00 2qud s ASP 60 CO 0.12 -0.07 0.08 -1.58 0.21 0.00 0.00 175.17 173.93 2qud s GLN 61 N 1.55 1.91 0.40 8.23 0.74 0.38 -1.79 119.66 131.08 2qud s GLN 61 Ca 0.05 -1.69 -0.21 0.00 0.05 0.00 0.00 55.36 53.56 2qud s GLN 61 Cb -0.15 -3.30 -0.11 0.00 1.10 0.00 0.00 33.01 30.55 2qud s GLN 61 CO 0.01 -0.89 0.92 0.00 -0.55 0.00 0.00 175.29 174.79 2qud s ALA 62 N 1.07 3.10 -0.15 1.58 0.00 -1.26 -1.22 121.76 124.87 2qud s ALA 62 Ca 0.05 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 2qud s ALA 62 Cb -0.21 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2qud s ALA 62 CO -0.05 0.16 -0.07 0.34 0.00 0.00 0.00 175.76 176.14 2qud s ASP 63 N -2.12 4.47 -0.11 0.00 2.15 0.20 -4.91 116.67 116.35 2qud s ASP 63 Ca 0.60 -0.23 -0.00 0.00 0.43 0.00 0.00 52.55 53.35 2qud s ASP 63 Cb -0.10 -1.72 -0.02 0.00 -0.30 0.00 0.00 42.92 40.77 2qud s ASP 63 CO 0.15 0.15 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.51 2qud s VAL 64 N 0.48 3.41 0.17 1.11 1.01 -1.26 0.18 120.40 125.50 2qud s VAL 64 Ca -0.05 -0.56 -0.34 0.00 0.00 0.00 0.00 61.98 61.03 2qud s VAL 64 Cb -0.15 -2.42 -0.14 0.00 0.00 0.00 0.00 36.38 33.67 2qud s VAL 64 CO 0.03 0.55 1.55 0.52 0.00 0.00 0.00 175.10 177.75 2qud n VAL 65 N 2.99 0.11 -0.03 2.92 0.31 -0.96 -4.91 118.33 118.76 2qud n VAL 65 Ca -0.18 -0.03 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 2qud n VAL 65 Cb 0.53 -1.51 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 2qud n VAL 65 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2qud h ASP 66 N 5.67 -0.33 -2.04 4.52 5.19 -1.97 -3.43 116.42 124.03 2qud h ASP 66 Ca -0.45 0.08 -0.46 0.00 -0.62 0.00 0.00 57.03 55.57 2qud h ASP 66 Cb 1.26 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.93 2qud h ASP 66 CO 0.87 -0.13 -0.42 -0.94 -3.12 0.00 0.00 179.24 175.50 2qud s SER 67 N -5.14 6.00 0.17 6.45 1.04 -1.26 -5.01 113.70 115.95 2qud s SER 67 Ca -0.14 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2qud s SER 67 Cb 0.11 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2qud s SER 67 CO 0.68 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.31 2qud n GLY 68 N -1.44 -1.91 3.77 7.32 0.00 -1.26 -4.83 105.19 106.84 2qud n GLY 68 Ca -0.05 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 2qud n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qud s LEU 75 N 0.00 4.05 0.20 0.99 1.43 -1.26 -4.91 118.68 119.18 2qud s LEU 75 Ca 0.00 2.32 -0.32 0.00 -1.03 0.00 0.00 54.13 55.10 2qud s LEU 75 Cb 0.00 -4.19 -0.12 0.00 0.03 0.00 0.00 46.19 41.91 2qud s LEU 75 CO 0.00 -0.87 1.72 -0.81 0.23 0.00 0.00 176.35 176.62 2qud n PRO 76 N -0.37 2.75 -3.84 1.29 -0.04 -1.26 -4.96 135.00 128.57 2qud n PRO 76 Ca 0.07 0.99 -0.12 0.00 -0.04 0.00 0.00 63.50 64.40 2qud n PRO 76 Cb 0.48 -2.84 -0.14 0.00 -0.04 0.00 0.00 33.50 30.96 2qud n PRO 76 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2qud s LYS 77 N 1.21 0.06 -0.13 0.54 2.20 -1.26 -4.96 119.74 117.40 2qud s LYS 77 Ca 0.75 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 56.17 2qud s LYS 77 Cb -0.51 0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 35.80 2qud s LYS 77 CO 0.33 -0.02 1.17 0.08 -0.36 0.00 0.00 175.35 176.54 2qud s VAL 78 N 0.15 4.40 -0.14 4.02 1.01 -1.26 -2.28 120.40 126.29 2qud s VAL 78 Ca -0.01 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 2qud s VAL 78 Cb -0.02 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 32.02 2qud s VAL 78 CO -0.00 -0.08 0.73 -0.09 0.00 0.00 0.00 175.10 175.66 2qud h ARG 79 N 7.67 0.00 -3.18 2.72 2.43 -0.62 -3.48 114.38 119.93 2qud h ARG 79 Ca -0.29 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2qud h ARG 79 Cb 1.12 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.57 2qud h ARG 79 CO 0.92 0.99 0.10 1.52 -1.51 0.00 0.00 179.97 182.00 2qud s TYR 80 N -2.22 -0.27 -0.06 2.20 -0.85 -1.20 -5.00 117.35 109.95 2qud s TYR 80 Ca -0.19 -0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.33 2qud s TYR 80 Cb -0.03 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.80 2qud s TYR 80 CO 0.68 -0.92 -0.10 0.99 -1.52 0.00 0.00 175.55 174.68 2qud s THR 81 N -3.83 0.98 0.13 -3.49 2.01 -1.26 0.61 115.64 110.78 2qud s THR 81 Ca 0.06 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.73 2qud s THR 81 Cb -0.01 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 2qud s THR 81 CO -0.06 0.32 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.07 2qud s GLN 82 N 0.68 2.37 -0.01 4.92 -0.21 -0.36 -4.96 119.66 122.10 2qud s GLN 82 Ca -0.13 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 54.26 2qud s GLN 82 Cb -0.15 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.46 2qud s GLN 82 CO 0.03 0.50 -0.04 0.08 -2.12 0.00 0.00 175.29 173.73 2qud s VAL 83 N -1.46 0.39 -0.22 1.09 1.01 -1.26 -0.47 120.40 119.48 2qud s VAL 83 Ca 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2qud s VAL 83 Cb -0.11 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 35.97 2qud s VAL 83 CO 0.17 0.13 -0.02 0.86 0.00 0.00 0.00 175.10 176.24 2qud s TRP 84 N 0.15 1.91 0.07 5.22 -0.11 -0.39 -5.00 118.94 120.78 2qud s TRP 84 Ca -0.01 -1.44 0.03 0.00 1.22 0.00 0.00 56.10 55.90 2qud s TRP 84 Cb -0.05 -1.39 -0.04 0.00 -1.50 0.00 0.00 33.47 30.49 2qud s TRP 84 CO -0.00 -0.72 0.04 -1.12 -4.62 0.00 0.00 176.95 170.53 2qud s SER 85 N 1.56 5.32 -0.02 5.86 0.01 -1.26 -1.88 113.70 123.28 2qud s SER 85 Ca -0.04 -0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.24 2qud s SER 85 Cb -0.18 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 64.65 2qud s SER 85 CO -0.07 0.20 -0.24 -1.00 0.41 0.00 0.00 173.24 172.54 2qud s HIS 86 N -1.31 2.14 -0.17 2.43 0.09 0.93 -4.98 115.29 114.43 2qud s HIS 86 Ca 0.26 -0.44 -0.02 0.00 -0.00 0.00 0.00 55.06 54.87 2qud s HIS 86 Cb -0.12 -1.38 0.05 0.00 -0.00 0.00 0.00 32.58 31.13 2qud s HIS 86 CO 0.19 -0.06 0.01 0.34 -0.00 0.00 0.00 174.74 175.22 2qud s ASP 87 N -0.50 2.70 -0.13 1.40 3.68 -1.26 -1.70 116.67 120.86 2qud s ASP 87 Ca 0.07 -0.68 0.02 0.00 2.13 0.00 0.00 52.55 54.09 2qud s ASP 87 Cb -0.10 -0.63 -0.00 0.00 -1.45 0.00 0.00 42.92 40.74 2qud s ASP 87 CO -0.00 -0.27 -0.20 -0.69 0.13 0.00 0.00 175.17 174.14 2qud s VAL 88 N 1.83 2.37 -0.29 1.11 1.01 0.05 -4.97 120.40 121.50 2qud s VAL 88 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 2qud s VAL 88 Cb -0.16 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2qud s VAL 88 CO -0.07 0.54 0.09 -0.89 0.00 0.00 0.00 175.10 174.77 2qud s THR 89 N 0.57 4.09 -0.20 3.92 2.01 -1.26 -0.87 115.64 123.90 2qud s THR 89 Ca -0.11 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 2qud s THR 89 Cb -0.16 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2qud s THR 89 CO 0.04 0.11 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.34 2qud s ILE 90 N 1.53 2.80 0.08 1.82 1.01 -0.44 -4.99 121.20 123.01 2qud s ILE 90 Ca 0.03 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 59.76 2qud s ILE 90 Cb -0.17 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 2qud s ILE 90 CO 0.03 0.47 0.69 -0.69 0.00 0.00 0.00 174.94 175.44 2qud s VAL 91 N 1.39 4.65 0.35 2.92 1.01 -1.26 -0.06 120.40 129.39 2qud s VAL 91 Ca 0.05 1.48 0.15 0.00 0.00 0.00 0.00 61.98 63.66 2qud s VAL 91 Cb -0.14 -4.03 0.11 0.00 0.00 0.00 0.00 36.38 32.32 2qud s VAL 91 CO -0.07 0.47 1.83 0.00 0.00 0.00 0.00 175.10 177.33 2qud h ALA 92 N 4.94 1.31 -0.42 5.51 0.00 -1.32 -2.01 119.26 127.28 2qud h ALA 92 Ca -0.47 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2qud h ALA 92 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qud h ALA 92 CO 0.67 0.45 0.00 0.09 0.00 0.00 0.00 179.25 180.46 2qud n ASN 93 N -3.97 2.78 -4.80 0.00 3.02 -1.26 -4.98 115.26 106.05 2qud n ASN 93 Ca -0.02 -2.16 -0.31 0.00 -0.03 0.00 0.00 54.58 52.07 2qud n ASN 93 Cb 0.41 -0.38 0.06 0.00 -0.61 0.00 0.00 39.78 39.26 2qud n ASN 93 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qud s SER 94 N -0.85 5.06 0.42 6.41 1.04 -0.76 -5.05 113.70 119.97 2qud s SER 94 Ca 0.31 1.71 -0.19 0.00 0.48 0.00 0.00 55.95 58.26 2qud s SER 94 Cb 0.18 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.69 2qud s SER 94 CO 0.17 -1.66 0.90 0.42 0.98 0.00 0.00 173.24 174.05 2qud s THR 95 N -2.95 4.49 0.22 2.02 -4.23 -1.26 -4.98 115.64 108.95 2qud s THR 95 Ca 0.60 1.30 -0.07 0.00 -1.18 0.00 0.00 61.69 62.33 2qud s THR 95 Cb -0.15 -3.62 0.17 0.00 1.34 0.00 0.00 72.50 70.23 2qud s THR 95 CO 0.54 -0.34 1.80 -0.08 -0.54 0.00 0.00 174.62 175.99 2qud h GLU 96 N 1.84 0.65 -0.73 3.99 4.81 -2.00 -2.19 114.58 120.94 2qud h GLU 96 Ca -0.48 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2qud h GLU 96 Cb 1.18 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 2qud h GLU 96 CO 0.62 0.43 0.48 0.00 -0.73 0.00 0.00 179.01 179.81 2qud h ALA 97 N 1.40 1.60 -0.38 2.92 0.00 -1.98 -0.03 119.26 122.79 2qud h ALA 97 Ca 0.34 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2qud h ALA 97 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qud h ALA 97 CO -0.23 0.32 -0.38 0.66 0.00 0.00 0.00 179.25 179.62 2qud h SER 98 N 0.87 0.97 -0.27 0.00 4.64 -1.80 0.54 113.55 118.50 2qud h SER 98 Ca 0.30 -0.44 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 2qud h SER 98 Cb 0.09 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2qud h SER 98 CO -0.09 1.24 0.02 0.03 -0.87 0.00 0.00 176.83 177.15 2qud h ARG 99 N 0.75 0.46 -0.69 4.77 3.08 -0.99 -1.54 114.38 120.21 2qud h ARG 99 Ca 0.06 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 60.05 2qud h ARG 99 Cb 0.97 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.91 2qud h ARG 99 CO 0.09 0.61 0.36 -0.22 -1.07 0.00 0.00 179.97 179.74 2qud h LYS 100 N 0.25 0.62 -0.29 0.04 1.63 -0.94 -1.79 116.57 116.09 2qud h LYS 100 Ca 0.08 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 2qud h LYS 100 Cb 0.39 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2qud h LYS 100 CO 0.01 0.41 -0.02 0.66 -3.45 0.00 0.00 179.45 177.06 2qud h SER 101 N 0.64 0.52 -0.38 4.20 4.64 -0.72 0.86 113.55 123.30 2qud h SER 101 Ca 0.33 -0.33 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2qud h SER 101 Cb 0.28 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 2qud h SER 101 CO -0.23 0.72 0.08 0.25 -0.87 0.00 0.00 176.83 176.78 2qud h LEU 102 N 0.30 0.02 0.22 5.97 5.85 -1.05 0.69 115.31 127.31 2qud h LEU 102 Ca 0.08 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2qud h LEU 102 Cb 0.47 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2qud h LEU 102 CO 0.02 0.04 -0.25 0.22 -0.34 0.00 0.00 178.44 178.13 2qud h TYR 103 N 0.21 -0.67 -0.56 1.25 3.20 -1.15 -1.53 116.97 117.71 2qud h TYR 103 Ca 0.18 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.09 2qud h TYR 103 Cb 0.22 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 2qud h TYR 103 CO -0.19 -0.37 0.34 -0.44 -1.64 0.00 0.00 178.16 175.86 2qud h ASP 104 N -0.52 0.55 -0.47 -2.11 3.32 -0.51 0.10 116.42 116.78 2qud h ASP 104 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2qud h ASP 104 Cb 0.49 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2qud h ASP 104 CO -0.07 0.38 0.03 -0.07 -1.72 0.00 0.00 179.24 177.79 2qud h LEU 105 N 0.67 0.83 -0.29 1.55 3.38 -0.86 -1.46 115.31 119.13 2qud h LEU 105 Ca 0.23 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2qud h LEU 105 Cb 0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2qud h LEU 105 CO -0.10 0.88 -0.33 0.74 0.09 0.00 0.00 178.44 179.71 2qud h THR 106 N 0.81 1.30 -0.51 0.22 2.02 -0.60 0.11 112.91 116.26 2qud h THR 106 Ca 0.16 -1.51 0.09 0.00 0.77 0.00 0.00 66.41 65.91 2qud h THR 106 Cb 0.44 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 2qud h THR 106 CO 0.02 0.49 0.12 0.50 0.37 0.00 0.00 175.52 177.01 2qud h LYS 107 N 0.48 0.25 -0.07 6.66 3.64 -0.74 -1.56 116.57 125.24 2qud h LYS 107 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qud h LYS 107 Cb 0.92 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2qud h LYS 107 CO 0.08 0.17 0.03 0.77 -2.27 0.00 0.00 179.45 178.23 2qud h SER 108 N 0.26 0.08 -0.16 4.20 0.02 -1.07 -2.18 113.55 114.71 2qud h SER 108 Ca 0.26 -0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2qud h SER 108 Cb 0.34 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 2qud h SER 108 CO -0.32 0.17 -0.17 0.25 -1.14 0.00 0.00 176.83 175.61 2qud h LEU 109 N -0.00 -0.54 -1.04 5.07 5.85 -0.43 -2.23 115.31 121.98 2qud h LEU 109 Ca 0.02 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2qud h LEU 109 Cb 0.10 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2qud h LEU 109 CO -0.00 -0.22 0.65 0.58 -0.34 0.00 0.00 178.44 179.11 2qud h VAL 110 N -0.20 1.24 0.00 1.05 2.07 -1.28 -2.17 116.25 116.96 2qud h VAL 110 Ca 0.11 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2qud h VAL 110 Cb 0.36 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2qud h VAL 110 CO -0.28 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.55 2qud h ALA 111 N 1.40 1.00 -2.95 1.67 0.00 -0.82 -3.42 119.26 116.13 2qud h ALA 111 Ca 0.36 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.73 2qud h ALA 111 Cb -0.14 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.76 2qud h ALA 111 CO -0.08 0.00 0.66 0.95 0.00 0.00 0.00 179.25 180.78 2qud s THR 112 N -3.40 2.23 0.49 0.00 -4.23 -0.82 -4.92 115.64 105.00 2qud s THR 112 Ca 0.03 0.20 0.17 0.00 -1.18 0.00 0.00 61.69 60.91 2qud s THR 112 Cb 0.09 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 71.05 2qud s THR 112 CO 0.40 0.02 2.09 0.77 -0.54 0.00 0.00 174.62 177.36 2qud h SER 113 N 2.28 0.00 -0.07 3.99 4.64 -1.89 -2.47 113.55 120.03 2qud h SER 113 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2qud h SER 113 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2qud h SER 113 CO 0.61 0.08 0.04 1.56 -0.87 0.00 0.00 176.83 178.26 2qud h GLN 114 N 0.00 0.09 -0.12 4.77 4.20 -1.92 -0.58 115.11 121.55 2qud h GLN 114 Ca -0.00 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 2qud h GLN 114 Cb 0.16 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2qud h GLN 114 CO 0.01 0.06 -0.39 -0.39 -0.67 0.00 0.00 178.83 177.46 2qud h VAL 115 N 0.09 1.30 -0.47 -0.54 -1.51 -1.76 -1.15 116.25 112.20 2qud h VAL 115 Ca 0.02 -1.47 0.05 0.00 -1.23 0.00 0.00 66.70 64.08 2qud h VAL 115 Cb -0.00 1.63 -0.05 0.00 -2.13 0.00 0.00 31.29 30.74 2qud h VAL 115 CO -0.01 0.44 0.20 -0.08 -1.23 0.00 0.00 177.57 176.90 2qud h GLU 116 N 0.23 0.39 0.00 5.19 4.81 -1.22 -1.17 114.58 122.81 2qud h GLU 116 Ca 0.02 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2qud h GLU 116 Cb 0.79 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 2qud h GLU 116 CO 0.06 0.26 -0.54 0.22 -0.73 0.00 0.00 179.01 178.28 2qud h ASP 117 N 0.40 0.00 -0.04 1.04 -0.00 -0.60 -0.70 116.42 116.53 2qud h ASP 117 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.24 2qud h ASP 117 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.50 2qud h ASP 117 CO -0.18 0.54 0.01 0.25 -0.00 0.00 0.00 179.24 179.86 2qud h LEU 118 N 0.00 0.06 -0.36 2.28 5.85 -0.78 0.75 115.31 123.10 2qud h LEU 118 Ca -0.01 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.30 2qud h LEU 118 Cb 0.98 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2qud h LEU 118 CO 0.07 0.28 -0.57 0.58 -0.34 0.00 0.00 178.44 178.46 2qud h VAL 119 N -0.17 1.29 0.17 1.05 2.07 -1.05 -0.48 116.25 119.14 2qud h VAL 119 Ca 0.01 -1.78 -0.33 0.00 0.82 0.00 0.00 66.70 65.42 2qud h VAL 119 Cb 0.25 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2qud h VAL 119 CO 0.00 0.57 -1.59 0.58 0.02 0.00 0.00 177.57 177.15 2qud h VAL 120 N 0.57 1.12 0.00 2.57 2.07 -1.20 -3.40 116.25 117.99 2qud h VAL 120 Ca 0.01 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 64.84 2qud h VAL 120 Cb 1.16 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 2qud h VAL 120 CO 0.12 0.84 0.00 0.59 0.02 0.00 0.00 177.57 179.14 2qud n ASN 121 N -3.56 1.48 -2.10 0.57 3.02 0.22 -5.01 115.26 109.88 2qud n ASN 121 Ca -0.19 -1.59 -0.19 0.00 -0.03 0.00 0.00 54.58 52.58 2qud n ASN 121 Cb 1.07 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.20 2qud n ASN 121 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qud n LEU 122 N -0.29 -1.62 -4.68 3.41 4.77 -0.19 -4.93 117.00 113.47 2qud n LEU 122 Ca 0.00 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 2qud n LEU 122 Cb 0.19 -2.71 -0.03 0.00 -2.33 0.00 0.00 43.42 38.54 2qud n LEU 122 CO 0.00 -0.48 0.71 -0.69 -1.33 0.00 0.00 177.39 175.60 2qud s VAL 123 N -2.82 4.83 0.68 4.08 1.01 -1.06 -4.92 120.40 122.20 2qud s VAL 123 Ca 0.00 1.86 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 2qud s VAL 123 Cb 0.00 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2qud s VAL 123 CO 0.00 0.01 1.26 -2.84 0.00 0.00 0.00 175.10 173.53 2qud s PRO 124 N 2.08 2.38 0.79 2.72 0.02 -1.26 -3.62 135.00 138.11 2qud s PRO 124 Ca 0.44 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 63.30 2qud s PRO 124 Cb -0.17 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.58 2qud s PRO 124 CO 0.15 -1.70 1.13 -0.51 -0.33 0.00 0.00 177.00 175.74 2qud s LEU 125 N -4.66 3.07 0.00 -5.54 1.43 -1.26 -4.94 118.68 106.78 2qud s LEU 125 Ca 0.80 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 2qud s LEU 125 Cb -0.34 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.33 2qud s LEU 125 CO 0.42 -2.33 0.00 0.61 0.23 0.00 0.00 176.35 175.27 2qud n GLY 126 N -0.46 2.13 0.00 -3.19 0.00 -1.26 -5.19 105.19 97.21 2qud n GLY 126 Ca 0.11 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2qud n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86