#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qux s LYS 2 N 0.00 4.08 0.19 1.43 1.02 -1.26 -4.84 119.74 120.36 2qux s LYS 2 Ca 0.00 1.90 0.01 0.00 0.02 0.00 0.00 55.97 57.90 2qux s LYS 2 Cb 0.00 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 2qux s LYS 2 CO 0.00 -0.31 0.03 0.95 -0.92 0.00 0.00 175.35 175.10 2qux s THR 3 N -1.36 0.57 -0.09 2.17 -4.23 -1.26 -0.88 115.64 110.55 2qux s THR 3 Ca 0.56 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2qux s THR 3 Cb -0.32 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.30 2qux s THR 3 CO 0.41 -0.35 -0.06 -0.51 -0.54 0.00 0.00 174.62 173.56 2qux s ILE 4 N -3.74 0.87 -0.17 2.99 2.07 -0.55 -5.01 121.20 117.66 2qux s ILE 4 Ca 0.28 -0.22 -0.04 0.00 -1.41 0.00 0.00 60.65 59.25 2qux s ILE 4 Cb 0.07 -0.90 -0.03 0.00 0.13 0.00 0.00 42.46 41.73 2qux s ILE 4 CO 0.06 0.33 -0.02 0.54 -1.91 0.00 0.00 174.94 173.94 2qux s VAL 5 N 1.52 3.97 -0.22 4.00 0.11 -1.26 -1.12 120.40 127.40 2qux s VAL 5 Ca 0.00 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 2qux s VAL 5 Cb -0.13 -2.76 -0.01 0.00 -1.53 0.00 0.00 36.38 31.95 2qux s VAL 5 CO -0.05 0.47 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.41 2qux s LEU 6 N 0.54 3.02 -0.47 2.54 1.43 -0.15 -4.92 118.68 120.66 2qux s LEU 6 Ca -0.02 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 2qux s LEU 6 Cb -0.14 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.34 2qux s LEU 6 CO 0.02 -0.01 0.70 -0.44 0.23 0.00 0.00 176.35 176.85 2qux s SER 7 N 1.41 6.31 -1.19 2.29 0.01 -1.26 -0.85 113.70 120.43 2qux s SER 7 Ca 0.05 -0.45 -0.14 0.00 1.31 0.00 0.00 55.95 56.72 2qux s SER 7 Cb -0.14 -2.34 0.17 0.00 0.21 0.00 0.00 66.02 63.92 2qux s SER 7 CO -0.01 -0.88 1.41 -0.69 0.41 0.00 0.00 173.24 173.47 2qux s VAL 8 N 2.99 5.03 0.00 3.43 1.01 -0.19 -4.92 120.40 127.75 2qux s VAL 8 Ca 0.23 -2.58 0.00 0.00 0.00 0.00 0.00 61.98 59.63 2qux s VAL 8 Cb -0.15 -4.90 0.00 0.00 0.00 0.00 0.00 36.38 31.33 2qux s VAL 8 CO 0.18 -1.61 0.00 0.61 0.00 0.00 0.00 175.10 174.28 2qux n GLY 9 N 4.18 2.67 0.16 4.51 0.00 -1.26 -3.13 105.19 112.32 2qux n GLY 9 Ca 0.36 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 2qux n GLY 9 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qux h GLU 10 N 0.00 0.54 -6.90 1.61 4.57 -2.01 -3.45 114.58 108.94 2qux h GLU 10 Ca 0.00 -0.74 -0.51 0.00 -1.18 0.00 0.00 59.36 56.93 2qux h GLU 10 Cb 0.00 0.25 0.04 0.00 -0.16 0.00 0.00 28.75 28.88 2qux h GLU 10 CO 0.00 1.33 0.51 0.00 -1.18 0.00 0.00 179.01 179.67 2qux s ALA 11 N -2.89 3.27 0.23 2.92 0.00 -1.18 -5.07 121.76 119.04 2qux s ALA 11 Ca -0.11 0.98 0.10 0.00 0.00 0.00 0.00 51.96 52.93 2qux s ALA 11 Cb 0.04 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2qux s ALA 11 CO 0.90 -0.43 -0.08 0.95 0.00 0.00 0.00 175.76 177.10 2qux s THR 12 N -1.32 3.14 -0.14 0.00 -4.23 -1.26 -1.02 115.64 110.80 2qux s THR 12 Ca 0.53 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2qux s THR 12 Cb -0.32 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 70.97 2qux s THR 12 CO 0.41 -0.25 0.14 -0.13 -0.54 0.00 0.00 174.62 174.25 2qux s ARG 13 N -3.23 0.07 -0.37 3.99 0.52 -0.03 -4.95 118.95 114.95 2qux s ARG 13 Ca 0.28 0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.57 2qux s ARG 13 Cb -0.07 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.37 2qux s ARG 13 CO 0.17 -0.51 0.43 0.99 0.02 0.00 0.00 175.30 176.39 2qux s THR 14 N 2.24 5.09 -0.12 0.02 2.01 -1.26 -0.98 115.64 122.64 2qux s THR 14 Ca 0.04 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.89 2qux s THR 14 Cb -0.14 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2qux s THR 14 CO -0.08 -0.24 0.39 -0.76 -0.69 0.00 0.00 174.62 173.24 2qux s LEU 15 N 2.18 4.29 -0.11 4.42 1.43 -0.28 -4.32 118.68 126.30 2qux s LEU 15 Ca 0.14 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2qux s LEU 15 Cb -0.16 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2qux s LEU 15 CO 0.13 0.08 -0.10 -0.89 0.23 0.00 0.00 176.35 175.80 2qux s THR 16 N 0.35 3.36 0.22 5.49 2.01 0.76 -1.49 115.64 126.34 2qux s THR 16 Ca 0.22 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 2qux s THR 16 Cb -0.14 -2.40 -0.10 0.00 0.01 0.00 0.00 72.50 69.87 2qux s THR 16 CO 0.08 0.55 1.44 -0.70 -0.69 0.00 0.00 174.62 175.29 2qux s GLU 17 N -0.11 4.28 -0.07 4.92 2.12 -0.06 -1.34 118.70 128.44 2qux s GLU 17 Ca -0.00 2.25 0.07 0.00 0.36 0.00 0.00 54.97 57.65 2qux s GLU 17 Cb -0.13 -3.14 -0.10 0.00 0.26 0.00 0.00 34.13 31.01 2qux s GLU 17 CO 0.03 -0.43 0.05 0.44 -0.54 0.00 0.00 175.26 174.82 2qux n ILE 18 N 2.78 0.45 -3.62 -3.70 -5.35 0.73 -4.29 119.36 106.36 2qux n ILE 18 Ca 0.08 -0.31 -0.15 0.00 -0.27 0.00 0.00 62.75 62.10 2qux n ILE 18 Cb 0.40 -0.63 -0.07 0.00 -1.74 0.00 0.00 39.64 37.60 2qux n ILE 18 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2qux s GLN 19 N -2.24 0.91 -0.46 6.28 -0.44 -1.18 -5.00 119.66 117.53 2qux s GLN 19 Ca -0.04 -0.04 0.07 0.00 -2.50 0.00 0.00 55.36 52.85 2qux s GLN 19 Cb 0.03 0.42 0.23 0.00 -1.64 0.00 0.00 33.01 32.05 2qux s GLN 19 CO 0.32 -0.29 0.71 0.45 0.50 0.00 0.00 175.29 176.99 2qux n SER 20 N 0.90 -1.88 0.05 6.67 2.88 -1.26 -1.17 113.62 119.81 2qux n SER 20 Ca -0.20 -3.00 -0.04 0.00 -1.33 0.00 0.00 58.87 54.30 2qux n SER 20 Cb 0.57 0.90 -0.02 0.00 -0.75 0.00 0.00 64.21 64.92 2qux n SER 20 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2qux h THR 21 N 3.10 0.06 0.00 2.46 1.35 -1.98 -3.46 112.91 114.44 2qux h THR 21 Ca -0.02 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2qux h THR 21 Cb 0.99 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2qux h THR 21 CO 0.33 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 174.72 2qux n ASP 23 N -4.92 0.00 -4.82 5.36 5.75 -1.26 -5.05 116.55 111.60 2qux n ASP 23 Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.52 2qux n ASP 23 Cb 0.10 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.15 2qux n ASP 23 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2qux s ARG 24 N 0.00 2.36 -0.28 0.11 0.52 -1.26 -2.66 118.95 117.74 2qux s ARG 24 Ca 0.00 -1.74 -0.16 0.00 -0.52 0.00 0.00 55.73 53.31 2qux s ARG 24 Cb 0.00 -2.17 0.10 0.00 0.52 0.00 0.00 34.95 33.40 2qux s ARG 24 CO 0.00 -0.22 0.78 -0.65 0.02 0.00 0.00 175.30 175.23 2qux s GLN 25 N -4.06 0.60 -0.03 3.54 -0.21 -0.23 -4.30 119.66 114.98 2qux s GLN 25 Ca 0.43 1.04 0.03 0.00 0.02 0.00 0.00 55.36 56.87 2qux s GLN 25 Cb -0.00 0.12 0.00 0.00 1.00 0.00 0.00 33.01 34.13 2qux s GLN 25 CO 0.25 -0.13 -0.10 0.42 -2.12 0.00 0.00 175.29 173.61 2qux s ILE 26 N 1.52 0.86 0.08 1.08 1.01 -0.32 -0.57 121.20 124.85 2qux s ILE 26 Ca -0.09 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.22 2qux s ILE 26 Cb -0.05 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 2qux s ILE 26 CO -0.18 0.26 -0.18 -0.36 0.00 0.00 0.00 174.94 174.49 2qux s PHE 27 N 0.16 1.54 -0.03 3.97 0.40 0.68 -0.19 117.98 124.51 2qux s PHE 27 Ca -0.03 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.81 2qux s PHE 27 Cb -0.09 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.58 2qux s PHE 27 CO 0.01 0.12 0.16 -1.21 0.70 0.00 0.00 175.22 175.00 2qux s GLU 28 N -1.67 0.38 -0.55 0.44 2.02 -0.45 -1.16 118.70 117.71 2qux s GLU 28 Ca 0.03 -0.13 -0.26 0.00 0.02 0.00 0.00 54.97 54.63 2qux s GLU 28 Cb -0.10 0.16 0.03 0.00 0.10 0.00 0.00 34.13 34.33 2qux s GLU 28 CO 0.03 -0.08 1.06 -2.00 0.02 0.00 0.00 175.26 174.28 2qux s GLU 29 N -0.79 3.45 -1.26 1.61 2.12 -0.45 -0.17 118.70 123.21 2qux s GLU 29 Ca -0.09 0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.19 2qux s GLU 29 Cb -0.05 -4.02 0.18 0.00 0.26 0.00 0.00 34.13 30.50 2qux s GLU 29 CO 0.01 -1.54 1.82 1.63 -0.54 0.00 0.00 175.26 176.64 2qux n LYS 30 N 7.87 3.65 -3.74 4.30 5.02 -1.26 -4.56 118.16 129.43 2qux n LYS 30 Ca 0.06 -3.61 -0.12 0.00 -2.02 0.00 0.00 58.31 52.61 2qux n LYS 30 Cb 0.48 -2.91 -0.12 0.00 -0.02 0.00 0.00 35.03 32.46 2qux n LYS 30 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qux s VAL 31 N 0.31 -0.02 0.00 -0.18 1.01 -1.26 -5.09 120.40 115.16 2qux s VAL 31 Ca 0.39 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2qux s VAL 31 Cb 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2qux s VAL 31 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2qux n GLY 32 N 3.72 0.68 3.89 4.51 0.00 -1.26 -4.80 105.19 111.94 2qux n GLY 32 Ca -0.20 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2qux n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qux s PRO 33 N 0.00 2.65 -0.34 1.61 0.04 -1.26 -4.99 135.00 132.71 2qux s PRO 33 Ca 0.00 0.34 0.06 0.00 0.04 0.00 0.00 61.00 61.44 2qux s PRO 33 Cb 0.00 -2.03 0.64 0.00 0.04 0.00 0.00 34.50 33.16 2qux s PRO 33 CO 0.00 -1.14 1.76 1.47 0.04 0.00 0.00 177.00 179.13 2qux n LEU 34 N -3.04 6.00 0.00 -3.56 -0.00 -1.26 -4.54 117.00 110.60 2qux n LEU 34 Ca 0.07 -3.16 -0.06 0.00 -0.00 0.00 0.00 56.01 52.87 2qux n LEU 34 Cb 0.58 -0.76 -0.04 0.00 -0.00 0.00 0.00 43.42 43.20 2qux n LEU 34 CO 0.57 0.86 0.17 0.58 -0.00 0.00 0.00 177.39 179.57 2qux h VAL 35 N 1.76 0.46 -1.53 1.47 2.07 -1.96 -3.41 116.25 115.10 2qux h VAL 35 Ca 0.39 -1.20 -0.48 0.00 0.82 0.00 0.00 66.70 66.23 2qux h VAL 35 Cb 2.41 0.84 -0.41 0.00 -1.52 0.00 0.00 31.29 32.61 2qux h VAL 35 CO 0.82 0.14 -1.00 0.61 0.02 0.00 0.00 177.57 178.16 2qux n GLY 36 N 1.33 3.70 3.77 2.17 0.00 -1.26 -4.93 105.19 109.97 2qux n GLY 36 Ca -0.04 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 2qux n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qux s ARG 37 N -3.13 3.95 0.02 1.61 0.52 -1.26 -4.29 118.95 116.37 2qux s ARG 37 Ca 0.38 1.69 -0.30 0.00 -0.52 0.00 0.00 55.73 56.98 2qux s ARG 37 Cb 0.40 -2.50 -0.07 0.00 0.52 0.00 0.00 34.95 33.30 2qux s ARG 37 CO -0.07 -0.37 1.60 -1.17 0.02 0.00 0.00 175.30 175.31 2qux s LEU 38 N -2.80 4.34 -0.15 2.53 2.96 -1.26 -4.69 118.68 119.61 2qux s LEU 38 Ca 0.60 2.33 0.01 0.00 -0.22 0.00 0.00 54.13 56.85 2qux s LEU 38 Cb -0.26 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.89 2qux s LEU 38 CO 0.33 -0.86 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.73 2qux s ARG 39 N 3.00 2.53 -0.17 1.98 3.52 -0.79 -1.34 118.95 127.68 2qux s ARG 39 Ca 0.71 -0.66 -0.13 0.00 -0.13 0.00 0.00 55.73 55.53 2qux s ARG 39 Cb -0.36 -2.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.78 2qux s ARG 39 CO 0.30 -0.17 0.24 -1.17 -0.81 0.00 0.00 175.30 173.70 2qux s LEU 40 N 1.26 4.24 -0.11 -0.88 2.96 -0.31 -0.62 118.68 125.22 2qux s LEU 40 Ca 0.01 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2qux s LEU 40 Cb -0.14 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.28 2qux s LEU 40 CO -0.08 0.13 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.04 2qux s THR 41 N 0.37 1.53 -0.03 3.68 2.01 0.04 -0.23 115.64 123.01 2qux s THR 41 Ca 0.14 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.55 2qux s THR 41 Cb -0.12 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 2qux s THR 41 CO 0.02 0.45 -0.22 0.00 -0.69 0.00 0.00 174.62 174.18 2qux s ALA 42 N 0.98 2.34 0.09 7.40 0.00 0.27 -1.25 121.76 131.58 2qux s ALA 42 Ca -0.07 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 2qux s ALA 42 Cb -0.15 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 2qux s ALA 42 CO -0.02 0.54 0.19 -1.54 0.00 0.00 0.00 175.76 174.93 2qux s SER 43 N -0.69 0.12 -0.03 0.00 1.04 0.40 -1.06 113.70 113.48 2qux s SER 43 Ca 0.11 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 2qux s SER 43 Cb -0.10 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.39 2qux s SER 43 CO -0.00 -0.72 0.06 -0.22 0.98 0.00 0.00 173.24 173.33 2qux s LEU 44 N -2.83 0.87 0.34 2.42 2.96 -1.09 -0.62 118.68 120.73 2qux s LEU 44 Ca 0.04 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2qux s LEU 44 Cb 0.05 -0.00 -0.03 0.00 0.50 0.00 0.00 46.19 46.71 2qux s LEU 44 CO -0.11 -0.15 0.27 0.00 -1.32 0.00 0.00 176.35 175.04 2qux s ARG 45 N 1.27 1.79 0.25 1.98 1.70 -0.88 -4.85 118.95 120.20 2qux s ARG 45 Ca -0.07 -2.05 0.11 0.00 -0.47 0.00 0.00 55.73 53.25 2qux s ARG 45 Cb -0.13 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.46 2qux s ARG 45 CO -0.04 -0.65 -0.15 -0.65 -1.08 0.00 0.00 175.30 172.74 2qux s GLN 46 N -3.45 1.83 0.86 3.89 -0.21 -1.26 -1.22 119.66 120.10 2qux s GLN 46 Ca 0.39 -1.59 -0.13 0.00 0.02 0.00 0.00 55.36 54.05 2qux s GLN 46 Cb 0.02 -1.91 0.13 0.00 1.00 0.00 0.00 33.01 32.25 2qux s GLN 46 CO 0.27 0.36 1.22 0.54 -2.12 0.00 0.00 175.29 175.56 2qux s ASN 47 N -3.32 3.93 0.02 5.90 4.22 -0.79 -4.88 114.94 120.01 2qux s ASN 47 Ca 0.28 0.50 -0.04 0.00 -2.14 0.00 0.00 52.86 51.45 2qux s ASN 47 Cb -0.06 -0.81 -0.01 0.00 1.28 0.00 0.00 41.25 41.65 2qux s ASN 47 CO 0.15 -2.24 1.08 1.23 -2.04 0.00 0.00 177.10 175.28 2qux h GLY 48 N -1.26 -2.14 -3.40 0.45 0.00 -2.02 -3.37 103.07 91.34 2qux h GLY 48 Ca -0.45 0.97 -0.50 0.00 0.00 0.00 0.00 47.33 47.35 2qux h GLY 48 CO 0.53 -0.77 0.49 0.00 0.00 0.00 0.00 176.54 176.78 2qux s ALA 49 N -4.09 3.27 -1.52 3.60 0.00 -1.26 -4.94 121.76 116.82 2qux s ALA 49 Ca -0.02 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 2qux s ALA 49 Cb 0.01 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2qux s ALA 49 CO 0.09 -0.33 2.63 1.63 0.00 0.00 0.00 175.76 179.78 2qux n LYS 50 N 0.56 3.59 0.00 0.00 4.76 -1.26 -4.35 118.16 121.46 2qux n LYS 50 Ca 0.02 -2.55 0.00 0.00 -2.87 0.00 0.00 58.31 52.91 2qux n LYS 50 Cb 0.46 -2.92 0.00 0.00 -1.84 0.00 0.00 35.03 30.73 2qux n LYS 50 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qux n THR 51 N 3.73 0.00 -3.73 -0.18 -2.24 -1.26 -4.99 114.28 105.61 2qux n THR 51 Ca 0.67 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.99 2qux n THR 51 Cb 0.28 0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 2qux n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qux s ALA 52 N -1.20 -1.04 0.09 6.98 0.00 -1.26 -1.40 121.76 123.93 2qux s ALA 52 Ca 0.00 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 2qux s ALA 52 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 2qux s ALA 52 CO 0.00 -0.21 0.30 0.71 0.00 0.00 0.00 175.76 176.56 2qux s TYR 53 N 0.02 3.51 -0.29 0.00 2.02 0.12 -1.88 117.35 120.84 2qux s TYR 53 Ca -0.02 0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 57.14 2qux s TYR 53 Cb -0.03 -1.92 0.05 0.00 -0.40 0.00 0.00 41.96 39.66 2qux s TYR 53 CO 0.01 0.52 -0.02 1.03 -1.57 0.00 0.00 175.55 175.52 2qux s ARG 54 N -2.45 2.35 -0.13 -0.62 1.81 -0.36 -1.59 118.95 117.96 2qux s ARG 54 Ca 0.37 -1.31 -0.23 0.00 -1.72 0.00 0.00 55.73 52.84 2qux s ARG 54 Cb -0.13 -3.12 -0.03 0.00 -0.45 0.00 0.00 34.95 31.23 2qux s ARG 54 CO 0.24 -0.62 0.70 0.08 -0.68 0.00 0.00 175.30 175.02 2qux s VAL 55 N 1.21 5.00 -0.09 3.52 1.01 -0.37 -2.08 120.40 128.60 2qux s VAL 55 Ca -0.06 1.40 0.04 0.00 0.00 0.00 0.00 61.98 63.36 2qux s VAL 55 Cb -0.20 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2qux s VAL 55 CO -0.02 0.16 -0.21 0.20 0.00 0.00 0.00 175.10 175.23 2qux s ASN 56 N 1.00 3.41 -0.01 3.32 0.01 0.21 -0.66 114.94 122.22 2qux s ASN 56 Ca 0.35 -0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 2qux s ASN 56 Cb -0.17 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.32 2qux s ASN 56 CO 0.14 0.21 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.69 2qux s LEU 57 N 0.03 1.85 -0.15 0.60 2.96 -0.86 -0.45 118.68 122.66 2qux s LEU 57 Ca -0.08 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2qux s LEU 57 Cb -0.15 -0.22 0.06 0.00 0.50 0.00 0.00 46.19 46.38 2qux s LEU 57 CO 0.05 0.02 0.35 -0.75 -1.32 0.00 0.00 176.35 174.70 2qux s LYS 58 N 0.13 0.31 -0.26 1.98 2.20 -0.38 0.60 119.74 124.31 2qux s LYS 58 Ca -0.01 0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 56.29 2qux s LYS 58 Cb -0.04 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.27 2qux s LYS 58 CO -0.00 -0.18 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.61 2qux s LEU 59 N 1.53 3.31 -0.25 5.43 2.96 -0.80 -0.78 118.68 130.08 2qux s LEU 59 Ca -0.08 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.90 2qux s LEU 59 Cb -0.10 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 2qux s LEU 59 CO -0.11 -0.13 0.19 -1.81 -1.32 0.00 0.00 176.35 173.16 2qux s ASP 60 N 1.37 6.10 -0.34 3.68 1.01 0.21 -1.89 116.67 126.80 2qux s ASP 60 Ca 0.01 0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.40 2qux s ASP 60 Cb -0.17 -2.12 0.10 0.00 1.01 0.00 0.00 42.92 41.74 2qux s ASP 60 CO -0.03 0.01 0.05 -1.58 0.21 0.00 0.00 175.17 173.83 2qux s GLN 61 N 1.37 1.53 0.44 8.23 0.74 -0.03 -1.89 119.66 130.05 2qux s GLN 61 Ca 0.08 -1.86 -0.22 0.00 0.05 0.00 0.00 55.36 53.41 2qux s GLN 61 Cb -0.15 -3.21 -0.09 0.00 1.10 0.00 0.00 33.01 30.66 2qux s GLN 61 CO 0.07 -0.93 1.02 0.00 -0.55 0.00 0.00 175.29 174.90 2qux s ALA 62 N 0.92 2.98 -0.28 1.58 0.00 -1.26 -1.76 121.76 123.93 2qux s ALA 62 Ca 0.10 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 2qux s ALA 62 Cb -0.19 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2qux s ALA 62 CO -0.08 -0.19 0.16 0.34 0.00 0.00 0.00 175.76 175.99 2qux s ASP 63 N -1.86 5.73 0.27 0.00 3.68 -0.51 -4.90 116.67 119.07 2qux s ASP 63 Ca 0.63 -0.19 0.02 0.00 2.13 0.00 0.00 52.55 55.14 2qux s ASP 63 Cb -0.17 -2.05 -0.06 0.00 -1.45 0.00 0.00 42.92 39.19 2qux s ASP 63 CO 0.21 -0.09 0.06 0.68 0.13 0.00 0.00 175.17 176.17 2qux s VAL 64 N 1.70 0.84 -1.11 1.11 -7.23 -1.26 -1.57 120.40 112.88 2qux s VAL 64 Ca 0.06 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2qux s VAL 64 Cb -0.16 -2.62 -0.00 0.00 0.56 0.00 0.00 36.38 34.15 2qux s VAL 64 CO 0.08 -0.07 0.92 0.61 -0.31 0.00 0.00 175.10 176.34 2qux n GLY 68 N -0.52 -0.35 3.82 2.32 0.00 -1.26 -4.93 105.19 104.27 2qux n GLY 68 Ca -0.02 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2qux n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qux s LEU 75 N -6.00 3.79 0.04 0.99 1.43 -1.26 -4.88 118.68 112.80 2qux s LEU 75 Ca 0.03 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 2qux s LEU 75 Cb -0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 2qux s LEU 75 CO 0.68 -0.61 1.02 -2.16 0.23 0.00 0.00 176.35 175.50 2qux s PRO 76 N -3.49 4.57 -0.06 1.29 0.04 -1.26 -5.07 135.00 131.02 2qux s PRO 76 Ca 0.63 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 2qux s PRO 76 Cb -0.12 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 31.02 2qux s PRO 76 CO 0.22 -0.03 0.18 0.21 0.04 0.00 0.00 177.00 177.62 2qux s LYS 77 N 0.77 0.28 -0.31 4.56 2.20 -1.26 -5.05 119.74 120.92 2qux s LYS 77 Ca 0.52 0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 2qux s LYS 77 Cb -0.23 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 2qux s LYS 77 CO 0.29 -0.05 1.31 0.08 -0.36 0.00 0.00 175.35 176.62 2qux s VAL 78 N -0.20 4.11 -0.00 4.02 1.01 -1.26 -4.56 120.40 123.51 2qux s VAL 78 Ca -0.03 1.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.95 2qux s VAL 78 Cb -0.03 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 32.04 2qux s VAL 78 CO 0.01 -0.52 1.10 0.03 0.00 0.00 0.00 175.10 175.72 2qux h ARG 79 N 9.46 -0.49 -3.05 2.72 3.08 -1.67 -3.48 114.38 120.94 2qux h ARG 79 Ca -0.26 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 2qux h ARG 79 Cb 1.10 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 31.13 2qux h ARG 79 CO 1.04 -0.17 0.12 1.52 -1.07 0.00 0.00 179.97 181.41 2qux s TYR 80 N -4.37 -0.45 -0.12 3.04 -0.85 -1.26 -5.02 117.35 108.31 2qux s TYR 80 Ca -0.13 0.26 0.01 0.00 -0.52 0.00 0.00 57.07 56.68 2qux s TYR 80 Cb 0.02 0.46 -0.01 0.00 0.38 0.00 0.00 41.96 42.81 2qux s TYR 80 CO 0.48 -0.79 -0.16 0.95 -1.52 0.00 0.00 175.55 174.51 2qux s THR 81 N -3.57 2.76 -0.04 -3.49 -4.23 -1.26 -1.43 115.64 104.39 2qux s THR 81 Ca 0.01 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 2qux s THR 81 Cb -0.00 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 2qux s THR 81 CO -0.11 0.53 -0.01 -1.10 -0.54 0.00 0.00 174.62 173.39 2qux s GLN 82 N 0.36 2.84 0.02 3.99 -0.21 -0.72 -4.97 119.66 120.97 2qux s GLN 82 Ca -0.13 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 54.74 2qux s GLN 82 Cb -0.16 -2.70 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 2qux s GLN 82 CO 0.06 0.66 -0.08 0.08 -2.12 0.00 0.00 175.29 173.89 2qux s VAL 83 N -0.98 0.59 -0.23 1.09 1.01 -1.26 -0.85 120.40 119.77 2qux s VAL 83 Ca 0.16 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2qux s VAL 83 Cb -0.11 -0.58 0.08 0.00 0.00 0.00 0.00 36.38 35.76 2qux s VAL 83 CO 0.06 -0.11 0.07 0.86 0.00 0.00 0.00 175.10 175.99 2qux s TRP 84 N -0.78 0.87 0.21 5.22 -0.11 -0.79 -5.01 118.94 118.55 2qux s TRP 84 Ca -0.03 -0.93 0.08 0.00 1.22 0.00 0.00 56.10 56.43 2qux s TRP 84 Cb -0.06 -1.07 -0.04 0.00 -1.50 0.00 0.00 33.47 30.79 2qux s TRP 84 CO 0.00 -0.69 0.06 -1.54 -4.62 0.00 0.00 176.95 170.16 2qux s SER 85 N 1.91 4.96 -0.01 5.86 1.04 -1.26 -1.90 113.70 124.30 2qux s SER 85 Ca 0.03 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.13 2qux s SER 85 Cb -0.17 -1.10 -0.02 0.00 0.10 0.00 0.00 66.02 64.83 2qux s SER 85 CO -0.17 0.04 -0.19 -1.00 0.98 0.00 0.00 173.24 172.90 2qux s HIS 86 N -1.97 1.69 -0.23 5.02 0.09 0.20 -4.98 115.29 115.11 2qux s HIS 86 Ca 0.30 -0.32 -0.03 0.00 -0.00 0.00 0.00 55.06 55.00 2qux s HIS 86 Cb -0.08 -1.08 0.08 0.00 -0.00 0.00 0.00 32.58 31.50 2qux s HIS 86 CO 0.21 -0.02 0.08 0.34 -0.00 0.00 0.00 174.74 175.35 2qux s ASP 87 N -0.53 3.13 -0.21 1.40 3.68 -1.26 -2.02 116.67 120.86 2qux s ASP 87 Ca 0.07 -1.03 -0.06 0.00 2.13 0.00 0.00 52.55 53.67 2qux s ASP 87 Cb -0.07 -0.52 -0.03 0.00 -1.45 0.00 0.00 42.92 40.85 2qux s ASP 87 CO -0.00 -0.36 0.02 -0.69 0.13 0.00 0.00 175.17 174.26 2qux s VAL 88 N 1.93 4.09 -0.36 1.11 1.01 0.16 -4.99 120.40 123.35 2qux s VAL 88 Ca 0.04 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 2qux s VAL 88 Cb -0.17 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2qux s VAL 88 CO -0.18 0.41 0.24 -0.89 0.00 0.00 0.00 175.10 174.68 2qux s THR 89 N 1.08 5.00 -0.23 3.92 2.01 -1.26 -1.23 115.64 124.92 2qux s THR 89 Ca 0.03 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 2qux s THR 89 Cb -0.14 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.71 2qux s THR 89 CO 0.02 -0.14 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.09 2qux s ILE 90 N 1.65 2.73 0.16 1.82 1.01 -0.62 -4.99 121.20 122.96 2qux s ILE 90 Ca 0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 2qux s ILE 90 Cb -0.18 -2.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.89 2qux s ILE 90 CO 0.09 0.29 1.05 -0.69 0.00 0.00 0.00 174.94 175.68 2qux s VAL 91 N 1.33 4.09 0.13 2.92 1.01 -1.26 0.10 120.40 128.72 2qux s VAL 91 Ca 0.02 1.79 -0.17 0.00 0.00 0.00 0.00 61.98 63.62 2qux s VAL 91 Cb -0.16 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2qux s VAL 91 CO -0.06 0.30 1.69 0.00 0.00 0.00 0.00 175.10 177.03 2qux h ALA 92 N 5.24 0.47 -0.04 5.51 0.00 -1.59 -2.80 119.26 126.05 2qux h ALA 92 Ca -0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2qux h ALA 92 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qux h ALA 92 CO 0.72 0.05 0.00 0.27 0.00 0.00 0.00 179.25 180.29 2qux n ASN 93 N -4.71 0.36 -4.77 0.00 6.94 -1.26 -4.92 115.26 106.90 2qux n ASN 93 Ca -0.01 -1.49 -0.33 0.00 -0.02 0.00 0.00 54.58 52.73 2qux n ASN 93 Cb 0.12 -0.02 0.05 0.00 -2.36 0.00 0.00 39.78 37.57 2qux n ASN 93 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2qux s SER 94 N -1.57 5.04 0.77 0.53 1.04 -1.06 -5.02 113.70 113.44 2qux s SER 94 Ca 0.28 1.99 -0.11 0.00 0.48 0.00 0.00 55.95 58.60 2qux s SER 94 Cb 0.14 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.76 2qux s SER 94 CO 0.22 -1.67 1.08 0.42 0.98 0.00 0.00 173.24 174.27 2qux s THR 95 N -2.37 3.39 0.19 2.02 -4.23 -1.26 -4.97 115.64 108.40 2qux s THR 95 Ca 0.67 0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 61.50 2qux s THR 95 Cb -0.20 -3.11 0.11 0.00 1.34 0.00 0.00 72.50 70.63 2qux s THR 95 CO 0.43 -0.59 1.86 -0.08 -0.54 0.00 0.00 174.62 175.69 2qux h GLU 96 N -1.03 0.82 -0.94 3.99 4.81 -2.00 -3.21 114.58 117.02 2qux h GLU 96 Ca -0.46 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 2qux h GLU 96 Cb 1.24 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 2qux h GLU 96 CO 0.56 0.54 0.62 0.00 -0.73 0.00 0.00 179.01 180.00 2qux h ALA 97 N 1.23 1.39 -0.36 2.92 0.00 -1.99 -1.97 119.26 120.49 2qux h ALA 97 Ca 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2qux h ALA 97 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 2qux h ALA 97 CO -0.06 0.53 0.02 0.66 0.00 0.00 0.00 179.25 180.40 2qux h SER 98 N 1.19 0.51 0.08 0.00 4.64 -1.95 -0.93 113.55 117.10 2qux h SER 98 Ca 0.37 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 2qux h SER 98 Cb -0.01 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2qux h SER 98 CO -0.11 0.57 -0.52 0.03 -0.87 0.00 0.00 176.83 175.93 2qux h ARG 99 N 0.53 0.22 -0.67 4.77 3.08 -1.52 -2.00 114.38 118.78 2qux h ARG 99 Ca 0.12 -0.34 0.12 0.00 0.07 0.00 0.00 59.98 59.95 2qux h ARG 99 Cb 0.31 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.39 2qux h ARG 99 CO 0.01 1.13 0.21 -0.22 -1.07 0.00 0.00 179.97 180.03 2qux h LYS 100 N -0.53 0.34 0.38 0.04 1.63 -1.40 0.15 116.57 117.18 2qux h LYS 100 Ca -0.09 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 2qux h LYS 100 Cb 1.38 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.92 2qux h LYS 100 CO 0.10 0.23 -0.27 1.03 -3.45 0.00 0.00 179.45 177.08 2qux h SER 101 N 0.35 -0.70 -0.96 4.20 0.87 -1.17 0.22 113.55 116.36 2qux h SER 101 Ca 0.36 0.05 0.12 0.00 -1.23 0.00 0.00 61.79 61.09 2qux h SER 101 Cb 0.53 0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 62.62 2qux h SER 101 CO -0.39 -0.42 0.59 0.25 -0.53 0.00 0.00 176.83 176.33 2qux h LEU 102 N -0.64 0.86 0.06 2.23 5.85 -1.11 -0.69 115.31 121.86 2qux h LEU 102 Ca -0.03 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2qux h LEU 102 Cb 0.55 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2qux h LEU 102 CO 0.01 0.45 -0.03 0.22 -0.34 0.00 0.00 178.44 178.75 2qux h TYR 103 N 0.93 -0.07 -1.01 1.25 3.20 -0.32 -2.20 116.97 118.75 2qux h TYR 103 Ca 0.48 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.43 2qux h TYR 103 Cb 0.49 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.71 2qux h TYR 103 CO -0.02 0.12 0.65 -0.44 -1.64 0.00 0.00 178.16 176.83 2qux h ASP 104 N -0.26 1.02 -0.18 -2.11 3.32 -0.05 -0.80 116.42 117.36 2qux h ASP 104 Ca -0.01 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.84 2qux h ASP 104 Cb 0.23 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.59 2qux h ASP 104 CO 0.01 0.63 -0.72 -0.07 -1.72 0.00 0.00 179.24 177.37 2qux h LEU 105 N 1.14 0.96 -0.89 1.55 3.38 -1.15 -1.54 115.31 118.77 2qux h LEU 105 Ca 0.45 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2qux h LEU 105 Cb 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2qux h LEU 105 CO -0.19 1.40 -0.03 0.74 0.09 0.00 0.00 178.44 180.44 2qux h THR 106 N 0.58 1.25 -0.21 0.22 2.02 -1.20 0.15 112.91 115.71 2qux h THR 106 Ca -0.04 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 2qux h THR 106 Cb 1.35 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2qux h THR 106 CO 0.15 0.37 0.07 0.50 0.37 0.00 0.00 175.52 176.98 2qux h LYS 107 N 0.72 0.33 -0.34 6.66 3.64 -1.12 0.13 116.57 126.58 2qux h LYS 107 Ca 0.14 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2qux h LYS 107 Cb 0.49 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 2qux h LYS 107 CO 0.02 0.41 0.11 1.03 -2.27 0.00 0.00 179.45 178.76 2qux h SER 108 N 0.18 0.11 -0.26 4.20 0.87 -1.20 -2.25 113.55 115.20 2qux h SER 108 Ca 0.07 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2qux h SER 108 Cb 0.22 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2qux h SER 108 CO -0.00 0.10 0.16 0.25 -0.53 0.00 0.00 176.83 176.81 2qux h LEU 109 N 0.25 0.30 -0.50 2.23 5.85 -0.50 -2.17 115.31 120.77 2qux h LEU 109 Ca 0.16 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 2qux h LEU 109 Cb 0.14 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2qux h LEU 109 CO -0.17 0.24 0.17 0.58 -0.34 0.00 0.00 178.44 178.92 2qux h VAL 110 N 0.34 1.22 0.00 1.05 2.07 -1.02 -3.00 116.25 116.92 2qux h VAL 110 Ca 0.09 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2qux h VAL 110 Cb -0.02 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2qux h VAL 110 CO -0.02 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.84 2qux n ALA 111 N -2.35 1.48 -1.77 1.67 0.00 -0.85 -4.61 120.51 114.08 2qux n ALA 111 Ca 0.02 0.08 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 2qux n ALA 111 Cb 0.18 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 2qux n ALA 111 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qux s THR 112 N -3.28 2.99 0.40 0.00 -4.23 -0.84 -4.94 115.64 105.74 2qux s THR 112 Ca 0.03 0.88 0.21 0.00 -1.18 0.00 0.00 61.69 61.63 2qux s THR 112 Cb 0.08 -3.52 0.22 0.00 1.34 0.00 0.00 72.50 70.62 2qux s THR 112 CO 0.30 0.13 1.98 0.77 -0.54 0.00 0.00 174.62 177.26 2qux h SER 113 N 2.88 0.00 -0.19 3.99 4.64 -1.90 -2.47 113.55 120.50 2qux h SER 113 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2qux h SER 113 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2qux h SER 113 CO 0.63 0.20 0.08 1.56 -0.87 0.00 0.00 176.83 178.43 2qux h GLN 114 N 0.00 0.18 -0.71 4.77 4.20 -1.93 -1.67 115.11 119.94 2qux h GLN 114 Ca -0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2qux h GLN 114 Cb 0.43 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2qux h GLN 114 CO 0.03 0.12 0.20 0.28 -0.67 0.00 0.00 178.83 178.78 2qux h VAL 115 N 0.19 1.26 -0.44 -0.54 2.07 -1.70 -1.81 116.25 115.27 2qux h VAL 115 Ca 0.08 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.74 2qux h VAL 115 Cb 0.03 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2qux h VAL 115 CO -0.06 0.36 0.13 -0.08 0.02 0.00 0.00 177.57 177.93 2qux h GLU 116 N 1.07 0.27 -0.23 1.57 4.81 -1.40 -1.29 114.58 119.37 2qux h GLU 116 Ca 0.23 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 2qux h GLU 116 Cb 0.33 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2qux h GLU 116 CO -0.00 0.18 -0.04 0.22 -0.73 0.00 0.00 179.01 178.64 2qux h ASP 117 N 0.28 0.32 -0.15 1.04 1.82 -0.98 0.23 116.42 118.98 2qux h ASP 117 Ca 0.21 -0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.72 2qux h ASP 117 Cb 0.23 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 2qux h ASP 117 CO -0.24 0.41 -0.21 0.25 -1.61 0.00 0.00 179.24 177.84 2qux h LEU 118 N 0.34 0.44 0.00 2.28 5.85 -0.86 -1.00 115.31 122.36 2qux h LEU 118 Ca 0.07 -0.51 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 2qux h LEU 118 Cb 0.29 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.21 2qux h LEU 118 CO 0.01 0.87 -0.71 0.58 -0.34 0.00 0.00 178.44 178.85 2qux h VAL 119 N 0.03 1.40 0.06 1.05 2.07 -1.05 -1.93 116.25 117.88 2qux h VAL 119 Ca 0.02 -2.13 -0.09 0.00 0.82 0.00 0.00 66.70 65.32 2qux h VAL 119 Cb 0.77 2.57 0.01 0.00 -1.52 0.00 0.00 31.29 33.12 2qux h VAL 119 CO 0.05 0.63 -0.37 0.58 0.02 0.00 0.00 177.57 178.48 2qux h VAL 120 N 0.00 1.64 -0.06 2.57 2.07 -0.69 -3.40 116.25 118.38 2qux h VAL 120 Ca -0.09 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2qux h VAL 120 Cb 1.41 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.40 2qux h VAL 120 CO 0.14 0.64 0.00 0.59 0.02 0.00 0.00 177.57 178.96 2qux n ASN 121 N -4.39 2.12 -2.20 0.57 4.13 -0.43 -5.00 115.26 110.06 2qux n ASN 121 Ca -0.11 -1.56 -0.21 0.00 1.68 0.00 0.00 54.58 54.38 2qux n ASN 121 Cb 0.62 -0.03 -0.03 0.00 -1.54 0.00 0.00 39.78 38.81 2qux n ASN 121 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2qux n LEU 122 N 0.67 -1.81 -4.66 3.41 4.32 -0.72 -4.94 117.00 113.26 2qux n LEU 122 Ca 0.08 0.12 -0.41 0.00 -0.02 0.00 0.00 56.01 55.78 2qux n LEU 122 Cb 0.32 -2.89 -0.05 0.00 -1.62 0.00 0.00 43.42 39.18 2qux n LEU 122 CO 0.08 -0.43 0.53 -0.69 -1.22 0.00 0.00 177.39 175.65 2qux s VAL 123 N -2.95 4.93 0.79 4.08 1.01 -0.92 -4.93 120.40 122.40 2qux s VAL 123 Ca 0.00 1.46 -0.14 0.00 0.00 0.00 0.00 61.98 63.30 2qux s VAL 123 Cb 0.00 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.39 2qux s VAL 123 CO 0.00 0.05 1.21 -2.65 0.00 0.00 0.00 175.10 173.71 2qux n PRO 124 N 5.25 0.28 -1.17 2.72 -0.02 -1.26 -3.41 135.00 137.39 2qux n PRO 124 Ca 0.02 0.17 -0.30 0.00 -2.02 0.00 0.00 63.50 61.38 2qux n PRO 124 Cb 0.49 -2.45 0.14 0.00 -0.02 0.00 0.00 33.50 31.66 2qux n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qux s LEU 125 N -5.53 2.28 0.00 2.45 1.43 -1.26 -4.93 118.68 113.11 2qux s LEU 125 Ca 0.74 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 2qux s LEU 125 Cb -0.30 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 41.97 2qux s LEU 125 CO 0.50 -2.67 0.00 0.61 0.23 0.00 0.00 176.35 175.01 2qux n GLY 126 N -1.02 0.91 0.11 -3.19 0.00 -1.26 -5.19 105.19 95.54 2qux n GLY 126 Ca 0.07 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 45.07 2qux n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86