#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qux n MET 0 N 0.00 0.66 -1.91 1.43 0.00 -1.26 -4.85 117.12 111.19 2qux n MET 0 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 57.70 57.24 2qux n MET 0 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 33.22 31.63 2qux n MET 0 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2qux s SER 1 N -5.13 6.52 0.42 7.83 0.01 -1.26 -5.00 113.70 117.08 2qux s SER 1 Ca -0.08 2.86 -0.24 0.00 1.31 0.00 0.00 55.95 59.80 2qux s SER 1 Cb 0.10 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 2qux s SER 1 CO 0.86 -0.77 1.08 -0.54 0.41 0.00 0.00 173.24 174.28 2qux s LYS 2 N -1.23 4.06 0.15 12.44 1.02 -1.26 -4.94 119.74 129.99 2qux s LYS 2 Ca 0.56 1.57 -0.09 0.00 0.02 0.00 0.00 55.97 58.03 2qux s LYS 2 Cb -0.44 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2qux s LYS 2 CO 0.52 -0.25 0.27 0.95 -0.92 0.00 0.00 175.35 175.93 2qux s THR 3 N -1.64 0.08 -0.05 2.17 -4.23 -1.26 -1.20 115.64 109.51 2qux s THR 3 Ca 0.59 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 2qux s THR 3 Cb -0.23 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.86 2qux s THR 3 CO 0.29 -0.35 -0.20 -0.51 -0.54 0.00 0.00 174.62 173.31 2qux s ILE 4 N -3.95 1.65 -0.19 2.99 2.07 -0.66 -4.99 121.20 118.13 2qux s ILE 4 Ca 0.15 -0.84 -0.01 0.00 -1.41 0.00 0.00 60.65 58.53 2qux s ILE 4 Cb 0.03 -1.41 -0.00 0.00 0.13 0.00 0.00 42.46 41.22 2qux s ILE 4 CO -0.02 0.47 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.67 2qux s VAL 5 N -0.06 2.86 -0.28 4.00 1.01 -1.26 -0.39 120.40 126.28 2qux s VAL 5 Ca -0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2qux s VAL 5 Cb -0.12 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2qux s VAL 5 CO 0.03 0.48 0.13 -0.76 0.00 0.00 0.00 175.10 174.98 2qux s LEU 6 N 1.19 3.82 -0.28 3.92 1.43 -0.08 -4.90 118.68 123.77 2qux s LEU 6 Ca 0.02 -0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 2qux s LEU 6 Cb -0.14 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2qux s LEU 6 CO -0.04 -0.09 0.68 -0.94 0.23 0.00 0.00 176.35 176.19 2qux s SER 7 N 1.66 6.60 -0.43 2.29 1.04 -1.26 -0.12 113.70 123.48 2qux s SER 7 Ca 0.06 0.66 -0.03 0.00 0.48 0.00 0.00 55.95 57.12 2qux s SER 7 Cb -0.16 -2.36 0.11 0.00 0.10 0.00 0.00 66.02 63.71 2qux s SER 7 CO 0.07 -0.46 0.23 -0.69 0.98 0.00 0.00 173.24 173.37 2qux s VAL 8 N 2.66 3.39 0.00 5.02 1.01 -0.60 -5.00 120.40 126.88 2qux s VAL 8 Ca 0.28 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 60.16 2qux s VAL 8 Cb -0.15 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2qux s VAL 8 CO 0.10 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.10 2qux n GLY 9 N 4.53 4.34 0.13 4.51 0.00 -1.26 -1.85 105.19 115.59 2qux n GLY 9 Ca -0.02 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2qux n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qux h GLU 10 N 0.00 0.00 -6.22 1.61 4.39 -2.02 -3.46 114.58 108.88 2qux h GLU 10 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2qux h GLU 10 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2qux h GLU 10 CO 0.00 0.00 -0.39 0.00 -1.16 0.00 0.00 179.01 177.46 2qux s ALA 11 N -3.13 3.89 0.06 3.43 0.00 -0.77 -5.12 121.76 120.12 2qux s ALA 11 Ca 0.09 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2qux s ALA 11 Cb 0.11 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 2qux s ALA 11 CO 0.62 0.26 -0.13 0.95 0.00 0.00 0.00 175.76 177.46 2qux s THR 12 N -1.99 1.02 -0.15 0.00 -4.23 -1.26 -1.56 115.64 107.47 2qux s THR 12 Ca 0.35 -1.25 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 2qux s THR 12 Cb -0.10 -0.99 0.05 0.00 1.34 0.00 0.00 72.50 72.80 2qux s THR 12 CO 0.30 -0.23 0.01 -0.13 -0.54 0.00 0.00 174.62 174.03 2qux s ARG 13 N -1.67 0.77 -0.25 3.99 0.52 0.83 -4.95 118.95 118.18 2qux s ARG 13 Ca -0.03 -0.27 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 2qux s ARG 13 Cb -0.10 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 2qux s ARG 13 CO 0.02 -0.50 0.30 0.99 0.02 0.00 0.00 175.30 176.13 2qux s THR 14 N 1.86 5.24 -0.28 0.02 2.01 -1.26 -0.90 115.64 122.33 2qux s THR 14 Ca 0.01 0.44 -0.11 0.00 0.31 0.00 0.00 61.69 62.35 2qux s THR 14 Cb -0.15 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2qux s THR 14 CO -0.07 0.23 0.19 -0.76 -0.69 0.00 0.00 174.62 173.52 2qux s LEU 15 N 1.65 4.01 -0.07 4.42 1.02 0.48 -4.31 118.68 125.88 2qux s LEU 15 Ca 0.13 -0.04 -0.14 0.00 0.02 0.00 0.00 54.13 54.11 2qux s LEU 15 Cb -0.15 -2.11 -0.05 0.00 0.02 0.00 0.00 46.19 43.90 2qux s LEU 15 CO 0.09 -0.06 0.34 -0.89 0.02 0.00 0.00 176.35 175.85 2qux s THR 16 N 1.75 5.19 0.05 5.49 2.01 0.53 -1.66 115.64 129.00 2qux s THR 16 Ca 0.07 0.68 -0.31 0.00 0.31 0.00 0.00 61.69 62.44 2qux s THR 16 Cb -0.16 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 2qux s THR 16 CO 0.11 0.52 1.56 -0.70 -0.69 0.00 0.00 174.62 175.41 2qux s GLU 17 N -0.54 4.23 -0.00 4.92 2.12 -0.34 -0.17 118.70 128.92 2qux s GLU 17 Ca 0.21 2.21 0.06 0.00 0.36 0.00 0.00 54.97 57.81 2qux s GLU 17 Cb -0.15 -3.56 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 2qux s GLU 17 CO 0.09 -0.67 0.22 -0.89 -0.54 0.00 0.00 175.26 173.47 2qux n ILE 18 N 4.66 0.00 -3.63 -3.70 5.41 0.10 -4.84 119.36 117.36 2qux n ILE 18 Ca 0.15 -0.30 -0.13 0.00 1.00 0.00 0.00 62.75 63.48 2qux n ILE 18 Cb 0.41 0.81 -0.07 0.00 -0.71 0.00 0.00 39.64 40.09 2qux n ILE 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2qux s GLN 19 N -1.81 0.79 -0.09 0.38 0.74 -1.02 -4.99 119.66 113.65 2qux s GLN 19 Ca 0.01 0.99 -0.04 0.00 0.05 0.00 0.00 55.36 56.37 2qux s GLN 19 Cb 0.04 0.36 0.05 0.00 1.10 0.00 0.00 33.01 34.56 2qux s GLN 19 CO 0.25 -0.10 0.21 0.45 -0.55 0.00 0.00 175.29 175.54 2qux s SER 20 N 0.55 -0.08 0.19 6.67 0.15 -1.26 -0.88 113.70 119.03 2qux s SER 20 Ca -0.01 0.45 0.02 0.00 0.70 0.00 0.00 55.95 57.11 2qux s SER 20 Cb -0.05 0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 2qux s SER 20 CO -0.03 -0.17 0.01 -0.89 1.20 0.00 0.00 173.24 173.36 2qux s THR 21 N 1.44 0.75 0.29 6.45 2.01 -0.10 -5.02 115.64 121.47 2qux s THR 21 Ca -0.07 -1.99 0.04 0.00 0.31 0.00 0.00 61.69 59.98 2qux s THR 21 Cb -0.11 -2.20 0.29 0.00 0.01 0.00 0.00 72.50 70.49 2qux s THR 21 CO -0.08 -0.42 1.71 0.00 -0.69 0.00 0.00 174.62 175.15 2qux h ALA 22 N 2.63 1.50 0.09 7.40 0.00 -2.01 -3.03 119.26 125.84 2qux h ALA 22 Ca -0.37 0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 2qux h ALA 22 Cb 1.21 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qux h ALA 22 CO 0.63 -0.28 -1.18 0.38 0.00 0.00 0.00 179.25 178.80 2qux h ASP 23 N 0.48 0.31 -3.58 0.00 2.03 -1.97 -3.47 116.42 110.22 2qux h ASP 23 Ca 0.56 -0.84 -0.52 0.00 -0.73 0.00 0.00 57.03 55.50 2qux h ASP 23 Cb 1.03 -0.10 -0.18 0.00 -0.83 0.00 0.00 39.33 39.25 2qux h ASP 23 CO -0.49 1.51 -0.78 -0.60 -1.03 0.00 0.00 179.24 177.85 2qux s ARG 24 N -2.43 1.27 -0.00 4.15 3.52 -1.14 -2.39 118.95 121.91 2qux s ARG 24 Ca -0.20 -1.40 -0.04 0.00 -0.13 0.00 0.00 55.73 53.97 2qux s ARG 24 Cb 0.03 -1.33 -0.00 0.00 -1.56 0.00 0.00 34.95 32.09 2qux s ARG 24 CO 0.75 0.27 0.07 -0.65 -0.81 0.00 0.00 175.30 174.93 2qux s GLN 25 N -2.76 0.31 -0.08 5.12 -0.21 0.28 -0.92 119.66 121.40 2qux s GLN 25 Ca 0.15 -0.30 -0.00 0.00 0.02 0.00 0.00 55.36 55.23 2qux s GLN 25 Cb -0.06 0.12 0.02 0.00 1.00 0.00 0.00 33.01 34.10 2qux s GLN 25 CO 0.06 -0.06 -0.05 0.42 -2.12 0.00 0.00 175.29 173.55 2qux s ILE 26 N -0.96 0.69 -0.09 1.08 1.01 -0.06 -0.43 121.20 122.45 2qux s ILE 26 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2qux s ILE 26 Cb -0.06 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 2qux s ILE 26 CO 0.00 0.29 -0.08 -0.36 0.00 0.00 0.00 174.94 174.80 2qux s PHE 27 N 1.50 2.90 0.04 3.97 0.08 0.20 -0.72 117.98 125.95 2qux s PHE 27 Ca -0.01 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 56.91 2qux s PHE 27 Cb -0.13 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 2qux s PHE 27 CO -0.04 0.15 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.11 2qux s GLU 28 N -0.38 0.83 -0.24 0.44 2.12 0.76 -0.22 118.70 122.01 2qux s GLU 28 Ca 0.05 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.38 2qux s GLU 28 Cb -0.12 -0.80 0.01 0.00 0.26 0.00 0.00 34.13 33.47 2qux s GLU 28 CO 0.02 0.20 1.11 -2.00 -0.54 0.00 0.00 175.26 174.05 2qux s GLU 29 N -1.13 4.19 -1.52 4.30 2.12 -0.05 -0.35 118.70 126.26 2qux s GLU 29 Ca -0.00 1.35 -0.10 0.00 0.36 0.00 0.00 54.97 56.58 2qux s GLU 29 Cb -0.08 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 2qux s GLU 29 CO 0.01 -0.74 2.68 1.63 -0.54 0.00 0.00 175.26 178.30 2qux n LYS 30 N 6.57 3.74 -3.88 4.30 5.02 -1.26 -4.56 118.16 128.09 2qux n LYS 30 Ca 0.13 -2.58 -0.11 0.00 -2.02 0.00 0.00 58.31 53.72 2qux n LYS 30 Cb 0.46 -2.85 -0.12 0.00 -0.02 0.00 0.00 35.03 32.49 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 1.60 0.04 0.00 -0.18 1.01 -1.26 -5.13 120.40 116.48 2qux s VAL 31 Ca 0.62 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2qux s VAL 31 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.35 2qux s VAL 31 CO -0.07 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.47 2qux n GLY 32 N 2.46 -1.34 3.69 4.51 0.00 -1.26 -4.83 105.19 108.42 2qux n GLY 32 Ca -0.16 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 2qux n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qux n PRO 33 N 0.00 1.31 0.27 1.61 -0.02 -1.26 -4.92 135.00 131.99 2qux n PRO 33 Ca 0.00 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 2qux n PRO 33 Cb 0.00 -2.41 0.72 0.00 -0.02 0.00 0.00 33.50 31.79 2qux n PRO 33 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qux h LEU 34 N 0.98 0.00 -9.71 2.45 3.38 -2.00 -3.41 115.31 107.01 2qux h LEU 34 Ca -0.50 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.96 2qux h LEU 34 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2qux h LEU 34 CO 0.54 0.10 0.28 0.68 0.09 0.00 0.00 178.44 180.14 2qux s VAL 35 N -3.97 4.26 -0.79 1.22 -7.23 -1.26 -4.39 120.40 108.25 2qux s VAL 35 Ca -0.02 1.92 0.00 0.00 -1.81 0.00 0.00 61.98 62.08 2qux s VAL 35 Cb 0.12 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.81 2qux s VAL 35 CO 0.57 0.48 0.00 0.61 -0.31 0.00 0.00 175.10 176.45 2qux n GLY 36 N 1.67 0.27 3.77 2.32 0.00 -1.26 -4.97 105.19 106.98 2qux n GLY 36 Ca -0.03 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.01 3.72 0.20 1.61 0.52 -1.26 -4.31 118.95 115.41 2qux s ARG 37 Ca 0.00 1.77 -0.32 0.00 -0.52 0.00 0.00 55.73 56.67 2qux s ARG 37 Cb 0.00 -2.38 -0.11 0.00 0.52 0.00 0.00 34.95 32.98 2qux s ARG 37 CO 0.00 -0.58 1.64 -1.17 0.02 0.00 0.00 175.30 175.20 2qux s LEU 38 N -3.09 4.37 -0.03 2.53 2.96 -1.26 -4.76 118.68 119.40 2qux s LEU 38 Ca 0.64 2.76 0.03 0.00 -0.22 0.00 0.00 54.13 57.34 2qux s LEU 38 Cb -0.28 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.81 2qux s LEU 38 CO 0.34 -0.89 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.78 2qux s ARG 39 N 0.98 1.08 -0.21 1.98 3.52 -1.05 -0.87 118.95 124.37 2qux s ARG 39 Ca 0.71 -0.35 -0.01 0.00 -0.13 0.00 0.00 55.73 55.95 2qux s ARG 39 Cb -0.47 -0.99 0.02 0.00 -1.56 0.00 0.00 34.95 31.95 2qux s ARG 39 CO 0.33 0.14 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.67 2qux s LEU 40 N 0.16 2.70 -0.16 -0.88 2.96 0.69 -1.29 118.68 122.86 2qux s LEU 40 Ca -0.03 -0.67 -0.07 0.00 -0.22 0.00 0.00 54.13 53.14 2qux s LEU 40 Cb -0.09 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2qux s LEU 40 CO 0.01 -0.05 0.06 -0.89 -1.32 0.00 0.00 176.35 174.15 2qux s THR 41 N 1.34 4.74 0.01 3.68 2.01 -0.43 -0.62 115.64 126.37 2qux s THR 41 Ca 0.03 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.99 2qux s THR 41 Cb -0.15 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 2qux s THR 41 CO -0.08 0.49 -0.05 0.00 -0.69 0.00 0.00 174.62 174.30 2qux s ALA 42 N 0.11 0.35 0.01 7.40 0.00 0.43 -0.56 121.76 129.50 2qux s ALA 42 Ca 0.05 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 2qux s ALA 42 Cb -0.12 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2qux s ALA 42 CO 0.01 0.03 0.26 -1.54 0.00 0.00 0.00 175.76 174.52 2qux s SER 43 N -0.54 -0.11 -0.07 0.00 1.04 -0.57 0.10 113.70 113.55 2qux s SER 43 Ca -0.03 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.36 2qux s SER 43 Cb -0.04 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2qux s SER 43 CO -0.00 -0.48 -0.20 -0.22 0.98 0.00 0.00 173.24 173.32 2qux s LEU 44 N -1.60 1.94 -0.09 2.42 2.96 -1.01 -1.58 118.68 121.73 2qux s LEU 44 Ca -0.11 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 2qux s LEU 44 Cb -0.04 -1.17 0.03 0.00 0.50 0.00 0.00 46.19 45.52 2qux s LEU 44 CO 0.01 0.14 0.21 -0.13 -1.32 0.00 0.00 176.35 175.26 2qux s ARG 45 N 0.29 0.20 0.51 1.98 0.52 -0.71 -4.79 118.95 116.95 2qux s ARG 45 Ca -0.13 0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 55.31 2qux s ARG 45 Cb -0.16 -0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.20 2qux s ARG 45 CO 0.06 -0.11 1.00 -0.65 0.02 0.00 0.00 175.30 175.62 2qux s GLN 46 N 0.77 3.84 0.74 3.54 -0.21 -1.26 0.38 119.66 127.46 2qux s GLN 46 Ca -0.05 1.09 -0.11 0.00 0.02 0.00 0.00 55.36 56.31 2qux s GLN 46 Cb -0.07 -2.12 0.04 0.00 1.00 0.00 0.00 33.01 31.86 2qux s GLN 46 CO -0.04 -0.36 1.12 0.54 -2.12 0.00 0.00 175.29 174.42 2qux s ASN 47 N -2.70 5.13 0.25 5.90 4.22 -0.64 -4.89 114.94 122.21 2qux s ASN 47 Ca 0.62 1.00 -0.03 0.00 -2.14 0.00 0.00 52.86 52.30 2qux s ASN 47 Cb -0.12 -1.69 0.42 0.00 1.28 0.00 0.00 41.25 41.13 2qux s ASN 47 CO 0.28 -1.53 1.82 1.23 -2.04 0.00 0.00 177.10 176.86 2qux h GLY 48 N -0.78 1.34 2.00 0.45 0.00 -1.99 -0.72 103.07 103.38 2qux h GLY 48 Ca -0.45 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.54 2qux h GLY 48 CO 0.64 0.15 0.00 0.00 0.00 0.00 0.00 176.54 177.33 2qux n ALA 49 N -2.37 1.53 -2.10 3.60 0.00 -1.26 -4.92 120.51 114.99 2qux n ALA 49 Ca 0.14 0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 2qux n ALA 49 Cb 0.28 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 2qux n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qux n LYS 50 N -2.26 -1.50 0.01 0.00 5.02 -0.28 -4.91 118.16 114.25 2qux n LYS 50 Ca 0.01 1.03 0.11 0.00 -2.02 0.00 0.00 58.31 57.44 2qux n LYS 50 Cb 0.19 -5.54 -0.06 0.00 -0.02 0.00 0.00 35.03 29.60 2qux n LYS 50 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2qux n THR 51 N -3.48 0.05 -3.78 -0.18 -2.24 -1.26 -4.85 114.28 98.55 2qux n THR 51 Ca -0.22 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 2qux n THR 51 Cb 0.67 0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 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 -3.16 -0.60 0.18 6.98 0.00 -1.26 -1.68 121.76 122.22 2qux s ALA 52 Ca 0.04 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.00 2qux s ALA 52 Cb 0.15 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2qux s ALA 52 CO 0.85 -0.41 -0.05 0.71 0.00 0.00 0.00 175.76 176.85 2qux s TYR 53 N -2.63 2.72 -0.19 0.00 2.02 0.19 -1.62 117.35 117.84 2qux s TYR 53 Ca -0.04 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2qux s TYR 53 Cb -0.01 -1.32 0.04 0.00 -0.40 0.00 0.00 41.96 40.28 2qux s TYR 53 CO -0.04 0.52 -0.11 1.03 -1.57 0.00 0.00 175.55 175.38 2qux s ARG 54 N -2.93 2.12 -0.18 -0.62 1.81 0.16 -1.48 118.95 117.83 2qux s ARG 54 Ca 0.26 -0.82 -0.18 0.00 -1.72 0.00 0.00 55.73 53.28 2qux s ARG 54 Cb -0.09 -2.39 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 2qux s ARG 54 CO 0.17 -0.39 0.49 0.08 -0.68 0.00 0.00 175.30 174.97 2qux s VAL 55 N 1.40 5.14 -0.11 3.52 1.01 -0.57 -1.73 120.40 129.05 2qux s VAL 55 Ca -0.00 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2qux s VAL 55 Cb -0.16 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2qux s VAL 55 CO -0.09 0.23 -0.10 0.20 0.00 0.00 0.00 175.10 175.34 2qux s ASN 56 N 0.99 4.28 -0.02 3.32 -0.87 -0.61 -1.19 114.94 120.84 2qux s ASN 56 Ca 0.24 -0.21 0.02 0.00 -1.57 0.00 0.00 52.86 51.34 2qux s ASN 56 Cb -0.15 -1.42 0.00 0.00 -0.02 0.00 0.00 41.25 39.66 2qux s ASN 56 CO 0.10 0.24 -0.08 -0.76 -2.57 0.00 0.00 177.10 174.02 2qux s LEU 57 N -0.06 1.77 -0.13 0.60 1.43 -0.92 -1.51 118.68 119.86 2qux s LEU 57 Ca -0.01 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2qux s LEU 57 Cb -0.14 -0.49 0.05 0.00 0.03 0.00 0.00 46.19 45.64 2qux s LEU 57 CO 0.03 0.05 0.07 -0.75 0.23 0.00 0.00 176.35 175.99 2qux s LYS 58 N 0.23 0.07 -0.33 1.70 2.20 0.28 0.24 119.74 124.14 2qux s LYS 58 Ca -0.03 0.05 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 2qux s LYS 58 Cb -0.08 -1.39 -0.01 0.00 -1.51 0.00 0.00 37.83 34.84 2qux s LYS 58 CO 0.00 -0.55 0.19 -1.17 -0.36 0.00 0.00 175.35 173.47 2qux s LEU 59 N 2.13 4.30 -0.29 5.43 2.96 -0.60 -1.31 118.68 131.30 2qux s LEU 59 Ca 0.03 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 2qux s LEU 59 Cb -0.15 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 2qux s LEU 59 CO -0.07 -0.22 0.16 -1.81 -1.32 0.00 0.00 176.35 173.09 2qux s ASP 60 N 1.65 5.73 -0.40 3.68 1.01 -0.41 -1.75 116.67 126.18 2qux s ASP 60 Ca 0.05 -0.22 -0.03 0.00 0.71 0.00 0.00 52.55 53.05 2qux s ASP 60 Cb -0.17 -2.06 0.10 0.00 1.01 0.00 0.00 42.92 41.80 2qux s ASP 60 CO 0.08 -0.11 0.19 -1.58 0.21 0.00 0.00 175.17 173.96 2qux s GLN 61 N 1.69 2.07 0.47 8.23 0.74 0.15 -2.53 119.66 130.48 2qux s GLN 61 Ca 0.06 -1.75 -0.12 0.00 0.05 0.00 0.00 55.36 53.60 2qux s GLN 61 Cb -0.16 -3.55 -0.07 0.00 1.10 0.00 0.00 33.01 30.33 2qux s GLN 61 CO 0.08 -1.02 0.87 0.00 -0.55 0.00 0.00 175.29 174.67 2qux s ALA 62 N 1.16 3.23 -0.32 1.58 0.00 -1.26 -1.69 121.76 124.46 2qux s ALA 62 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 2qux s ALA 62 Cb -0.22 -2.88 0.05 0.00 0.00 0.00 0.00 23.12 20.06 2qux s ALA 62 CO -0.04 -0.17 0.04 0.34 0.00 0.00 0.00 175.76 175.93 2qux s ASP 63 N -3.27 5.03 -0.19 0.00 2.15 0.31 -4.97 116.67 115.73 2qux s ASP 63 Ca 0.54 -1.27 -0.07 0.00 0.43 0.00 0.00 52.55 52.18 2qux s ASP 63 Cb -0.10 -1.76 -0.04 0.00 -0.30 0.00 0.00 42.92 40.72 2qux s ASP 63 CO 0.34 -0.29 0.06 0.68 -0.17 0.00 0.00 175.17 175.79 2qux s VAL 64 N 1.29 4.72 0.03 1.11 -7.23 -1.26 0.55 120.40 119.60 2qux s VAL 64 Ca -0.04 -0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.09 2qux s VAL 64 Cb -0.20 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 2qux s VAL 64 CO -0.00 0.45 0.07 0.68 -0.31 0.00 0.00 175.10 175.99 2qux s VAL 65 N 0.46 4.61 -0.39 1.32 -7.23 -0.53 -4.93 120.40 113.71 2qux s VAL 65 Ca 0.03 -0.55 0.08 0.00 -1.81 0.00 0.00 61.98 59.73 2qux s VAL 65 Cb -0.13 -3.15 0.26 0.00 0.56 0.00 0.00 36.38 33.93 2qux s VAL 65 CO 0.01 0.27 0.57 -0.67 -0.31 0.00 0.00 175.10 174.97 2qux n ASP 66 N 0.94 0.11 -4.43 4.85 2.03 -1.26 -1.48 116.55 117.31 2qux n ASP 66 Ca -0.11 -2.76 -0.44 0.00 0.52 0.00 0.00 54.79 51.99 2qux n ASP 66 Cb 0.52 -0.52 -0.01 0.00 -0.72 0.00 0.00 41.12 40.40 2qux n ASP 66 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2qux s SER 67 N -1.36 7.01 0.00 1.67 1.04 -1.26 -4.75 113.70 116.05 2qux s SER 67 Ca 0.35 -2.89 0.00 0.00 0.48 0.00 0.00 55.95 53.89 2qux s SER 67 Cb 0.20 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2qux s SER 67 CO -0.11 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2qux n GLY 68 N 4.11 1.10 3.33 7.32 0.00 -1.26 -4.96 105.19 114.83 2qux n GLY 68 Ca 0.30 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 2.17 0.80 0.99 1.43 -1.26 -5.13 118.68 117.68 2qux s LEU 75 Ca 0.00 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 2qux s LEU 75 Cb 0.00 -1.24 0.08 0.00 0.03 0.00 0.00 46.19 45.06 2qux s LEU 75 CO 0.00 0.24 1.16 -2.84 0.23 0.00 0.00 176.35 175.15 2qux s PRO 76 N -1.25 1.79 -0.30 1.29 0.02 -1.26 -4.69 135.00 130.60 2qux s PRO 76 Ca 0.11 1.58 -0.11 0.00 0.02 0.00 0.00 61.00 62.60 2qux s PRO 76 Cb -0.10 -1.81 0.14 0.00 0.02 0.00 0.00 34.50 32.75 2qux s PRO 76 CO 0.02 -2.06 0.75 0.21 -0.33 0.00 0.00 177.00 175.59 2qux s LYS 77 N -4.33 0.49 -0.15 5.54 2.47 -0.55 -4.99 119.74 118.22 2qux s LYS 77 Ca 0.69 1.21 -0.29 0.00 -1.56 0.00 0.00 55.97 56.02 2qux s LYS 77 Cb -0.25 0.73 -0.03 0.00 -1.46 0.00 0.00 37.83 36.82 2qux s LYS 77 CO 0.51 -0.20 1.52 0.08 0.16 0.00 0.00 175.35 177.42 2qux s VAL 78 N 2.77 3.84 -0.13 4.02 1.01 -1.26 -1.45 120.40 129.20 2qux s VAL 78 Ca -0.03 0.99 -0.26 0.00 0.00 0.00 0.00 61.98 62.68 2qux s VAL 78 Cb -0.10 -3.72 -0.23 0.00 0.00 0.00 0.00 36.38 32.33 2qux s VAL 78 CO -0.19 -0.17 0.72 -0.09 0.00 0.00 0.00 175.10 175.37 2qux h ARG 79 N 9.51 -0.00 -3.62 2.72 2.43 -0.26 -3.49 114.38 121.67 2qux h ARG 79 Ca -0.33 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.78 2qux h ARG 79 Cb 1.15 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.61 2qux h ARG 79 CO 0.98 0.88 -0.11 1.52 -1.51 0.00 0.00 179.97 181.73 2qux s TYR 80 N -2.25 0.32 -0.03 2.20 -0.85 -1.24 -5.01 117.35 110.49 2qux s TYR 80 Ca -0.17 -0.69 0.04 0.00 -0.52 0.00 0.00 57.07 55.73 2qux s TYR 80 Cb -0.03 0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.52 2qux s TYR 80 CO 0.62 -0.99 -0.14 0.99 -1.52 0.00 0.00 175.55 174.52 2qux s THR 81 N -4.01 1.12 0.04 -3.49 2.01 -1.26 -0.53 115.64 109.52 2qux s THR 81 Ca 0.21 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.73 2qux s THR 81 Cb -0.01 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 2qux s THR 81 CO 0.08 0.33 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.03 2qux s GLN 82 N -0.02 1.99 0.01 4.92 -0.21 -0.68 -4.97 119.66 120.69 2qux s GLN 82 Ca -0.01 -1.02 0.02 0.00 0.02 0.00 0.00 55.36 54.37 2qux s GLN 82 Cb -0.09 -2.11 -0.01 0.00 1.00 0.00 0.00 33.01 31.80 2qux s GLN 82 CO 0.01 0.53 -0.07 0.08 -2.12 0.00 0.00 175.29 173.72 2qux s VAL 83 N -0.86 0.51 -0.23 1.09 1.01 -1.26 -0.67 120.40 119.98 2qux s VAL 83 Ca 0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 2qux s VAL 83 Cb -0.10 -0.48 0.07 0.00 0.00 0.00 0.00 36.38 35.87 2qux s VAL 83 CO 0.04 -0.02 0.03 0.86 0.00 0.00 0.00 175.10 176.00 2qux s TRP 84 N -0.51 1.56 0.28 5.22 -0.11 -0.72 -5.00 118.94 119.65 2qux s TRP 84 Ca -0.01 -1.30 0.07 0.00 1.22 0.00 0.00 56.10 56.08 2qux s TRP 84 Cb -0.05 -1.34 -0.03 0.00 -1.50 0.00 0.00 33.47 30.55 2qux s TRP 84 CO 0.00 -0.71 0.23 -1.54 -4.62 0.00 0.00 176.95 170.30 2qux s SER 85 N 1.68 5.42 0.01 5.86 1.04 -1.26 -1.55 113.70 124.89 2qux s SER 85 Ca 0.00 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.12 2qux s SER 85 Cb -0.18 -1.24 -0.01 0.00 0.10 0.00 0.00 66.02 64.70 2qux s SER 85 CO -0.11 -0.15 -0.10 -1.00 0.98 0.00 0.00 173.24 172.85 2qux s HIS 86 N -2.20 0.91 -0.21 5.02 0.09 0.14 -4.97 115.29 114.06 2qux s HIS 86 Ca 0.36 -0.24 -0.05 0.00 -0.00 0.00 0.00 55.06 55.13 2qux s HIS 86 Cb -0.07 -0.57 0.07 0.00 -0.00 0.00 0.00 32.58 32.02 2qux s HIS 86 CO 0.25 -0.01 0.10 0.34 -0.00 0.00 0.00 174.74 175.43 2qux s ASP 87 N -0.59 2.71 -0.17 1.40 -1.08 -1.26 -2.18 116.67 115.51 2qux s ASP 87 Ca 0.02 -0.82 -0.02 0.00 -0.52 0.00 0.00 52.55 51.20 2qux s ASP 87 Cb -0.05 -0.28 -0.01 0.00 -1.46 0.00 0.00 42.92 41.12 2qux s ASP 87 CO 0.00 -0.38 -0.08 -0.69 0.52 0.00 0.00 175.17 174.54 2qux s VAL 88 N 2.12 3.32 -0.34 1.11 1.01 -0.34 -4.99 120.40 122.30 2qux s VAL 88 Ca 0.04 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2qux s VAL 88 Cb -0.16 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 2qux s VAL 88 CO -0.18 0.48 0.21 -0.89 0.00 0.00 0.00 175.10 174.72 2qux s THR 89 N 0.81 4.91 -0.12 3.92 2.01 -1.26 -1.51 115.64 124.40 2qux s THR 89 Ca -0.03 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2qux s THR 89 Cb -0.15 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2qux s THR 89 CO 0.01 -0.05 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.14 2qux s ILE 90 N 1.65 3.07 -0.08 1.82 1.01 -0.55 -4.98 121.20 123.14 2qux s ILE 90 Ca 0.05 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.88 2qux s ILE 90 Cb -0.18 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 2qux s ILE 90 CO 0.08 0.53 0.41 -0.69 0.00 0.00 0.00 174.94 175.27 2qux s VAL 91 N 0.19 5.16 0.31 2.92 1.01 -1.26 0.54 120.40 129.26 2qux s VAL 91 Ca -0.08 0.81 0.05 0.00 0.00 0.00 0.00 61.98 62.77 2qux s VAL 91 Cb -0.15 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.58 2qux s VAL 91 CO 0.05 0.44 1.76 0.00 0.00 0.00 0.00 175.10 177.34 2qux h ALA 92 N 5.94 1.19 -0.40 5.51 0.00 -1.65 -1.95 119.26 127.90 2qux h ALA 92 Ca -0.45 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2qux h ALA 92 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2qux h ALA 92 CO 0.70 0.53 0.00 0.27 0.00 0.00 0.00 179.25 180.75 2qux n ASN 93 N -4.12 4.23 -4.80 0.00 6.94 -1.26 -4.99 115.26 111.26 2qux n ASN 93 Ca -0.01 -2.62 -0.34 0.00 -0.02 0.00 0.00 54.58 51.59 2qux n ASN 93 Cb 0.40 -0.62 -0.03 0.00 -2.36 0.00 0.00 39.78 37.16 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 -0.55 6.30 0.50 0.53 1.04 -0.74 -5.02 113.70 115.77 2qux s SER 94 Ca 0.38 1.95 -0.22 0.00 0.48 0.00 0.00 55.95 58.54 2qux s SER 94 Cb 0.28 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 2qux s SER 94 CO 0.11 -0.81 1.23 0.42 0.98 0.00 0.00 173.24 175.17 2qux s THR 95 N -1.95 2.75 0.27 2.02 -4.23 -1.26 -4.94 115.64 108.29 2qux s THR 95 Ca 0.67 0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 61.72 2qux s THR 95 Cb -0.17 -3.27 0.27 0.00 1.34 0.00 0.00 72.50 70.66 2qux s THR 95 CO 0.21 -0.02 1.85 -0.08 -0.54 0.00 0.00 174.62 176.04 2qux h GLU 96 N 1.75 1.01 -0.96 3.99 4.81 -1.99 -2.73 114.58 120.46 2qux h GLU 96 Ca -0.50 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2qux h GLU 96 Cb 1.27 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 2qux h GLU 96 CO 0.59 0.67 0.63 0.00 -0.73 0.00 0.00 179.01 180.16 2qux h ALA 97 N 1.49 1.26 -0.41 2.92 0.00 -1.99 -0.81 119.26 121.72 2qux h ALA 97 Ca 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2qux h ALA 97 Cb 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2qux h ALA 97 CO -0.22 0.52 0.23 0.66 0.00 0.00 0.00 179.25 180.43 2qux h SER 98 N 1.22 0.49 0.37 0.00 4.64 -1.87 0.05 113.55 118.44 2qux h SER 98 Ca 0.38 -0.03 -0.26 0.00 -0.47 0.00 0.00 61.79 61.41 2qux h SER 98 Cb -0.02 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2qux h SER 98 CO -0.12 0.39 -1.12 0.03 -0.87 0.00 0.00 176.83 175.15 2qux h ARG 99 N 0.56 0.43 -0.31 4.77 3.08 -1.26 -2.46 114.38 119.20 2qux h ARG 99 Ca 0.15 -0.56 -0.07 0.00 0.07 0.00 0.00 59.98 59.57 2qux h ARG 99 Cb 0.01 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2qux h ARG 99 CO -0.02 1.21 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.79 2qux h LYS 100 N 0.20 0.60 -0.62 0.04 1.63 -1.00 -1.98 116.57 115.43 2qux h LYS 100 Ca -0.13 -0.23 0.05 0.00 -0.85 0.00 0.00 60.65 59.49 2qux h LYS 100 Cb 1.79 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 33.34 2qux h LYS 100 CO 0.20 0.79 0.34 1.03 -3.45 0.00 0.00 179.45 178.35 2qux h SER 101 N 0.37 0.49 -0.50 4.20 0.87 -1.05 0.26 113.55 118.19 2qux h SER 101 Ca 0.08 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2qux h SER 101 Cb 0.58 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2qux h SER 101 CO 0.03 0.33 0.27 0.25 -0.53 0.00 0.00 176.83 177.18 2qux h LEU 102 N 0.63 0.63 0.13 2.23 5.85 -1.40 0.16 115.31 123.53 2qux h LEU 102 Ca 0.27 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2qux h LEU 102 Cb 0.17 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2qux h LEU 102 CO -0.17 0.54 -0.08 0.22 -0.34 0.00 0.00 178.44 178.61 2qux h TYR 103 N 0.67 -0.20 -0.25 1.25 3.20 -1.07 -1.88 116.97 118.70 2qux h TYR 103 Ca 0.18 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.05 2qux h TYR 103 Cb 0.05 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2qux h TYR 103 CO -0.02 -0.12 0.15 -0.44 -1.64 0.00 0.00 178.16 176.09 2qux h ASP 104 N -0.20 0.25 -0.58 -2.11 3.32 -0.36 -0.53 116.42 116.23 2qux h ASP 104 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2qux h ASP 104 Cb 0.16 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2qux h ASP 104 CO 0.01 0.19 0.37 -0.07 -1.72 0.00 0.00 179.24 178.02 2qux h LEU 105 N 0.31 0.68 -0.07 1.55 3.38 -0.98 -1.94 115.31 118.24 2qux h LEU 105 Ca 0.10 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 2qux h LEU 105 Cb -0.02 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qux h LEU 105 CO -0.04 0.52 -0.95 0.74 0.09 0.00 0.00 178.44 178.80 2qux h THR 106 N 0.80 1.28 -0.46 0.22 2.02 -0.91 -0.59 112.91 115.27 2qux h THR 106 Ca 0.21 -2.16 0.03 0.00 0.77 0.00 0.00 66.41 65.26 2qux h THR 106 Cb -0.06 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 2qux h THR 106 CO -0.04 0.67 0.26 0.50 0.37 0.00 0.00 175.52 177.28 2qux h LYS 107 N 0.44 0.50 -0.32 6.66 3.64 -1.00 -0.99 116.57 125.49 2qux h LYS 107 Ca -0.10 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2qux h LYS 107 Cb 1.59 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 2qux h LYS 107 CO 0.19 0.33 0.15 1.03 -2.27 0.00 0.00 179.45 178.88 2qux h SER 108 N 0.51 0.42 0.24 4.20 0.87 -1.36 -2.19 113.55 116.25 2qux h SER 108 Ca 0.19 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2qux h SER 108 Cb 0.05 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2qux h SER 108 CO -0.11 0.43 -0.27 0.25 -0.53 0.00 0.00 176.83 176.61 2qux h LEU 109 N 0.38 -0.73 -1.36 2.23 5.85 -0.80 -2.13 115.31 118.76 2qux h LEU 109 Ca 0.11 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2qux h LEU 109 Cb 0.12 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2qux h LEU 109 CO -0.01 -0.38 0.30 0.58 -0.34 0.00 0.00 178.44 178.58 2qux h VAL 110 N -0.55 1.16 0.00 1.05 2.07 -1.25 -2.52 116.25 116.21 2qux h VAL 110 Ca -0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2qux h VAL 110 Cb 0.52 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2qux h VAL 110 CO -0.08 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2qux h ALA 111 N 1.59 1.00 -2.73 1.67 0.00 -0.76 -3.43 119.26 116.60 2qux h ALA 111 Ca 0.19 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.59 2qux h ALA 111 Cb 0.01 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.89 2qux h ALA 111 CO -0.03 0.00 0.47 0.95 0.00 0.00 0.00 179.25 180.64 2qux s THR 112 N -3.36 2.89 0.34 0.00 -4.23 -0.92 -4.94 115.64 105.41 2qux s THR 112 Ca 0.04 0.59 0.09 0.00 -1.18 0.00 0.00 61.69 61.24 2qux s THR 112 Cb 0.09 -3.26 0.08 0.00 1.34 0.00 0.00 72.50 70.76 2qux s THR 112 CO 0.43 -0.09 1.79 0.28 -0.54 0.00 0.00 174.62 176.49 2qux h SER 113 N 1.33 0.16 -0.41 3.99 0.02 -1.89 -2.55 113.55 114.20 2qux h SER 113 Ca -0.50 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.42 2qux h SER 113 Cb 1.27 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 2qux h SER 113 CO 0.57 0.49 0.22 1.56 -1.14 0.00 0.00 176.83 178.53 2qux h GLN 114 N 0.14 0.43 -0.17 3.45 4.20 -1.93 0.30 115.11 121.54 2qux h GLN 114 Ca 0.02 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 2qux h GLN 114 Cb 0.67 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2qux h GLN 114 CO 0.05 0.28 -0.30 0.28 -0.67 0.00 0.00 178.83 178.47 2qux h VAL 115 N 0.44 1.27 -0.25 -0.54 2.07 -1.78 -1.82 116.25 115.64 2qux h VAL 115 Ca 0.17 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2qux h VAL 115 Cb 0.05 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2qux h VAL 115 CO -0.10 0.40 0.13 -0.08 0.02 0.00 0.00 177.57 177.94 2qux h GLU 116 N 0.29 0.35 -0.95 1.57 4.81 -1.06 -2.42 114.58 117.17 2qux h GLU 116 Ca 0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2qux h GLU 116 Cb 0.69 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 2qux h GLU 116 CO 0.05 0.33 0.59 -0.44 -0.73 0.00 0.00 179.01 178.81 2qux h ASP 117 N 0.28 1.13 -0.09 1.04 3.32 -0.77 -0.10 116.42 121.23 2qux h ASP 117 Ca 0.09 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2qux h ASP 117 Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2qux h ASP 117 CO -0.01 0.85 0.05 0.25 -1.72 0.00 0.00 179.24 178.66 2qux h LEU 118 N 1.31 0.08 -0.01 1.55 5.85 -1.28 0.56 115.31 123.37 2qux h LEU 118 Ca 0.34 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.80 2qux h LEU 118 Cb -0.08 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 40.95 2qux h LEU 118 CO -0.07 0.06 -1.07 0.58 -0.34 0.00 0.00 178.44 177.60 2qux h VAL 119 N 0.10 1.32 0.08 1.05 2.07 -1.30 -0.93 116.25 118.64 2qux h VAL 119 Ca 0.03 -2.37 -0.30 0.00 0.82 0.00 0.00 66.70 64.88 2qux h VAL 119 Cb -0.00 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2qux h VAL 119 CO -0.01 0.72 -1.57 0.58 0.02 0.00 0.00 177.57 177.31 2qux h VAL 120 N 0.32 1.08 0.00 2.57 2.07 -1.08 -3.40 116.25 117.81 2qux h VAL 120 Ca -0.13 -2.79 0.00 0.00 0.82 0.00 0.00 66.70 64.60 2qux h VAL 120 Cb 1.73 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 34.16 2qux h VAL 120 CO 0.20 0.77 0.00 0.59 0.02 0.00 0.00 177.57 179.15 2qux n ASN 121 N -3.35 1.07 -2.57 0.57 3.02 0.12 -5.02 115.26 109.10 2qux n ASN 121 Ca -0.16 -1.40 -0.21 0.00 -0.03 0.00 0.00 54.58 52.77 2qux n ASN 121 Cb 1.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 2qux n ASN 121 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qux n LEU 122 N -0.20 -2.16 -4.66 3.41 4.77 -0.35 -4.92 117.00 112.88 2qux n LEU 122 Ca 0.00 -0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.49 2qux n LEU 122 Cb 0.23 -2.97 -0.06 0.00 -2.33 0.00 0.00 43.42 38.30 2qux n LEU 122 CO 0.00 -0.09 0.36 -0.69 -1.33 0.00 0.00 177.39 175.64 2qux s VAL 123 N -3.09 5.03 0.55 4.08 1.01 -1.07 -4.93 120.40 121.99 2qux s VAL 123 Ca 0.08 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.04 2qux s VAL 123 Cb -0.04 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 2qux s VAL 123 CO 0.10 0.12 0.87 -2.65 0.00 0.00 0.00 175.10 173.55 2qux n PRO 124 N 4.99 0.91 -1.13 2.72 -0.02 -1.26 -3.34 135.00 137.87 2qux n PRO 124 Ca -0.02 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.51 2qux n PRO 124 Cb 0.50 -2.03 0.13 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.05 2.49 0.00 2.45 1.43 -1.26 -4.92 118.68 117.82 2qux s LEU 125 Ca 0.71 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 2qux s LEU 125 Cb -0.45 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 41.61 2qux s LEU 125 CO 0.51 -2.59 0.00 0.61 0.23 0.00 0.00 176.35 175.11 2qux n GLY 126 N -0.90 1.79 0.00 -3.19 0.00 -1.26 -5.19 105.19 96.43 2qux n GLY 126 Ca 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2qux n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86