#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qud s LYS 2 N 0.00 3.04 0.13 4.33 1.02 -1.26 -4.83 119.74 122.16 2qud s LYS 2 Ca 0.00 1.76 0.01 0.00 0.02 0.00 0.00 55.97 57.75 2qud s LYS 2 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 2qud s LYS 2 CO 0.00 -1.14 -0.00 0.95 -0.92 0.00 0.00 175.35 174.24 2qud s THR 3 N -1.67 0.48 -0.04 2.17 -4.23 -1.26 -0.50 115.64 110.58 2qud s THR 3 Ca 0.76 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2qud s THR 3 Cb -0.28 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.65 2qud s THR 3 CO 0.32 -0.63 -0.06 -0.51 -0.54 0.00 0.00 174.62 173.20 2qud s ILE 4 N -3.78 0.65 -0.20 2.99 2.07 -0.15 -5.00 121.20 117.77 2qud s ILE 4 Ca 0.19 -0.21 -0.04 0.00 -1.41 0.00 0.00 60.65 59.18 2qud s ILE 4 Cb 0.06 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 42.00 2qud s ILE 4 CO -0.00 0.24 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.55 2qud s VAL 5 N 0.75 3.68 -0.18 4.00 1.01 -1.26 -0.79 120.40 127.60 2qud s VAL 5 Ca -0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 2qud s VAL 5 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2qud s VAL 5 CO 0.01 0.43 0.04 -0.76 0.00 0.00 0.00 175.10 174.83 2qud s LEU 6 N 1.10 3.65 -0.18 3.92 1.43 0.78 -4.95 118.68 124.44 2qud s LEU 6 Ca 0.02 0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2qud s LEU 6 Cb -0.15 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2qud s LEU 6 CO 0.01 0.15 0.01 -0.44 0.23 0.00 0.00 176.35 176.30 2qud s SER 7 N 0.52 5.11 -0.34 2.29 0.01 -1.26 0.15 113.70 120.18 2qud s SER 7 Ca 0.02 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.23 2qud s SER 7 Cb -0.13 -1.86 0.10 0.00 0.21 0.00 0.00 66.02 64.34 2qud s SER 7 CO 0.01 0.14 0.07 -0.69 0.41 0.00 0.00 173.24 173.19 2qud s VAL 8 N 0.54 1.87 0.00 3.43 1.01 -0.53 -5.01 120.40 121.72 2qud s VAL 8 Ca -0.00 -2.10 0.00 0.00 0.00 0.00 0.00 61.98 59.88 2qud s VAL 8 Cb -0.14 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2qud s VAL 8 CO 0.02 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.10 2qud n GLY 9 N 4.38 3.75 0.47 4.51 0.00 -1.26 -1.62 105.19 115.43 2qud n GLY 9 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2qud n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qud n GLU 10 N 14.00 1.64 -2.80 1.61 -0.58 -1.26 -4.85 120.64 128.40 2qud n GLU 10 Ca 0.00 -0.95 -0.40 0.00 -0.42 0.00 0.00 57.16 55.39 2qud n GLU 10 Cb 0.00 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.37 2qud n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qud s ALA 11 N -1.93 3.34 -0.09 0.62 0.00 -0.64 -5.06 121.76 118.01 2qud s ALA 11 Ca 0.36 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.91 2qud s ALA 11 Cb 0.20 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 2qud s ALA 11 CO 0.31 0.16 -0.21 0.99 0.00 0.00 0.00 175.76 177.01 2qud s THR 12 N -0.84 2.33 -0.20 0.00 2.01 -1.26 -1.45 115.64 116.23 2qud s THR 12 Ca 0.41 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2qud s THR 12 Cb -0.25 -1.90 0.05 0.00 0.01 0.00 0.00 72.50 70.42 2qud s THR 12 CO 0.30 0.56 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.60 2qud s ARG 13 N 0.07 1.59 -0.26 4.92 1.81 0.12 -4.99 118.95 122.22 2qud s ARG 13 Ca -0.09 -0.79 -0.08 0.00 -1.72 0.00 0.00 55.73 53.05 2qud s ARG 13 Cb -0.15 -2.36 -0.03 0.00 -0.45 0.00 0.00 34.95 31.96 2qud s ARG 13 CO 0.06 -0.52 0.10 0.99 -0.68 0.00 0.00 175.30 175.25 2qud s THR 14 N 1.49 4.51 -0.19 0.02 2.01 -1.26 -0.15 115.64 122.08 2qud s THR 14 Ca -0.03 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 2qud s THR 14 Cb -0.17 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2qud s THR 14 CO -0.07 0.29 0.04 -0.76 -0.69 0.00 0.00 174.62 173.43 2qud s LEU 15 N 1.64 3.63 -0.11 4.42 1.02 0.03 -4.28 118.68 125.03 2qud s LEU 15 Ca 0.06 -0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.19 2qud s LEU 15 Cb -0.15 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 2qud s LEU 15 CO 0.05 0.14 -0.06 -0.89 0.02 0.00 0.00 176.35 175.61 2qud s THR 16 N 0.55 3.70 -0.01 5.49 2.01 0.31 -0.98 115.64 126.71 2qud s THR 16 Ca 0.02 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 2qud s THR 16 Cb -0.13 -2.56 -0.07 0.00 0.01 0.00 0.00 72.50 69.74 2qud s THR 16 CO 0.01 0.55 1.86 -0.70 -0.69 0.00 0.00 174.62 175.65 2qud s GLU 17 N -0.23 4.11 -0.00 4.92 2.12 0.35 -0.70 118.70 129.26 2qud s GLU 17 Ca 0.03 2.42 0.09 0.00 0.36 0.00 0.00 54.97 57.88 2qud s GLU 17 Cb -0.13 -4.11 -0.11 0.00 0.26 0.00 0.00 34.13 30.04 2qud s GLU 17 CO 0.03 -0.97 0.34 0.44 -0.54 0.00 0.00 175.26 174.56 2qud n ILE 18 N 5.63 0.00 -3.68 -3.70 -5.35 -0.04 -3.98 119.36 108.24 2qud n ILE 18 Ca 0.19 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.27 2qud n ILE 18 Cb 0.42 0.79 -0.08 0.00 -1.74 0.00 0.00 39.64 39.03 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 -2.10 0.69 -0.24 6.28 0.74 -1.07 -4.99 119.66 118.98 2qud s GLN 19 Ca 0.01 0.59 -0.08 0.00 0.05 0.00 0.00 55.36 55.94 2qud s GLN 19 Cb 0.07 0.33 0.11 0.00 1.10 0.00 0.00 33.01 34.61 2qud s GLN 19 CO 0.38 -0.12 0.51 -1.54 -0.55 0.00 0.00 175.29 173.97 2qud s SER 20 N -0.07 -0.59 0.13 6.67 1.04 -1.26 -0.90 113.70 118.72 2qud s SER 20 Ca -0.03 1.21 0.01 0.00 0.48 0.00 0.00 55.95 57.61 2qud s SER 20 Cb -0.03 1.71 0.01 0.00 0.10 0.00 0.00 66.02 67.80 2qud s SER 20 CO 0.02 -0.23 0.05 0.35 0.98 0.00 0.00 173.24 174.41 2qud n THR 21 N 5.41 0.00 -0.34 2.02 -2.24 0.44 -5.01 114.28 114.56 2qud n THR 21 Ca -0.10 -0.58 0.08 0.00 -2.27 0.00 0.00 64.05 61.18 2qud n THR 21 Cb 0.49 -0.13 0.17 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.90 0.77 0.00 6.98 0.00 -2.02 -3.20 119.26 122.69 2qud h ALA 22 Ca -0.10 0.36 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2qud h ALA 22 Cb 0.32 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 2qud h ALA 22 CO 0.16 -0.43 -0.63 -0.25 0.00 0.00 0.00 179.25 178.09 2qud n ASP 23 N -5.57 0.28 -3.79 0.00 8.00 -1.26 -5.07 116.55 109.14 2qud n ASP 23 Ca 0.17 -1.92 -0.14 0.00 0.71 0.00 0.00 54.79 53.61 2qud n ASP 23 Cb 0.55 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 2qud n ASP 23 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2qud s ARG 24 N 0.00 -0.02 0.07 -1.24 3.52 -1.21 -1.78 118.95 118.30 2qud s ARG 24 Ca 0.12 0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.94 2qud s ARG 24 Cb 0.13 -0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.30 2qud s ARG 24 CO -0.06 -0.13 -0.15 -0.65 -0.81 0.00 0.00 175.30 173.50 2qud s GLN 25 N 0.86 0.88 -0.09 5.12 -0.21 0.37 -0.42 119.66 126.17 2qud s GLN 25 Ca -0.07 -0.95 0.03 0.00 0.02 0.00 0.00 55.36 54.39 2qud s GLN 25 Cb -0.10 -0.92 0.01 0.00 1.00 0.00 0.00 33.01 33.00 2qud s GLN 25 CO -0.03 0.21 -0.16 0.42 -2.12 0.00 0.00 175.29 173.61 2qud s ILE 26 N -1.18 1.48 0.03 1.08 1.01 -0.08 -0.73 121.20 122.80 2qud s ILE 26 Ca -0.00 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.05 2qud s ILE 26 Cb -0.10 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 2qud s ILE 26 CO 0.02 0.43 -0.17 -0.36 0.00 0.00 0.00 174.94 174.86 2qud s PHE 27 N 0.68 2.58 0.01 3.97 0.40 0.61 -0.86 117.98 125.37 2qud s PHE 27 Ca -0.13 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2qud s PHE 27 Cb -0.16 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 2qud s PHE 27 CO 0.04 0.25 -0.03 -2.00 0.70 0.00 0.00 175.22 174.18 2qud s GLU 28 N -1.39 0.24 -0.58 0.44 2.12 0.12 -0.53 118.70 119.11 2qud s GLU 28 Ca 0.15 -0.31 -0.27 0.00 0.36 0.00 0.00 54.97 54.90 2qud s GLU 28 Cb -0.11 -0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.23 2qud s GLU 28 CO 0.05 0.02 1.10 -2.00 -0.54 0.00 0.00 175.26 173.89 2qud s GLU 29 N -0.65 3.41 -1.39 4.30 2.12 -0.37 -0.53 118.70 125.59 2qud s GLU 29 Ca -0.05 -0.00 -0.10 0.00 0.36 0.00 0.00 54.97 55.17 2qud s GLU 29 Cb -0.05 -4.05 0.08 0.00 0.26 0.00 0.00 34.13 30.38 2qud s GLU 29 CO -0.00 -1.65 2.23 1.63 -0.54 0.00 0.00 175.26 176.92 2qud n LYS 30 N 8.15 3.58 -3.60 4.30 5.02 -1.26 -4.51 118.16 129.83 2qud n LYS 30 Ca 0.05 -3.05 -0.11 0.00 -2.02 0.00 0.00 58.31 53.19 2qud n LYS 30 Cb 0.48 -2.96 -0.04 0.00 -0.02 0.00 0.00 35.03 32.49 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 1.19 0.06 0.00 -0.18 -7.23 -1.26 -5.14 120.40 107.84 2qud s VAL 31 Ca 0.49 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2qud s VAL 31 Cb 0.14 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.95 2qud s VAL 31 CO -0.05 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 2qud n GLY 32 N -0.19 -1.14 3.65 2.32 0.00 -1.26 -4.79 105.19 103.77 2qud n GLY 32 Ca -0.16 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2qud n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qud n PRO 33 N -0.05 1.54 -0.07 1.61 -0.02 -1.26 -4.88 135.00 131.88 2qud n PRO 33 Ca 0.00 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.17 2qud n PRO 33 Cb 0.00 -2.18 0.54 0.00 -0.02 0.00 0.00 33.50 31.84 2qud n PRO 33 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qud h LEU 34 N 1.68 0.28 -9.69 2.45 3.38 -2.00 -3.41 115.31 108.00 2qud h LEU 34 Ca -0.46 0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.00 2qud h LEU 34 Cb 1.32 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2qud h LEU 34 CO 0.58 0.17 0.25 -0.69 0.09 0.00 0.00 178.44 178.83 2qud s VAL 35 N -5.31 4.34 -1.44 1.22 1.01 -1.26 -4.20 120.40 114.76 2qud s VAL 35 Ca -0.07 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 2qud s VAL 35 Cb 0.20 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2qud s VAL 35 CO 0.74 0.47 0.26 0.61 0.00 0.00 0.00 175.10 177.19 2qud n GLY 36 N 1.74 -0.36 3.77 4.51 0.00 -1.26 -4.96 105.19 108.63 2qud n GLY 36 Ca -0.03 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.21 4.03 0.24 1.61 0.52 -1.26 -4.25 118.95 114.63 2qud s ARG 37 Ca 0.13 2.21 -0.31 0.00 -0.52 0.00 0.00 55.73 57.23 2qud s ARG 37 Cb -0.06 -2.82 -0.13 0.00 0.52 0.00 0.00 34.95 32.47 2qud s ARG 37 CO 0.16 -0.46 1.48 -0.11 0.02 0.00 0.00 175.30 176.38 2qud n LEU 38 N 0.24 3.39 -4.02 2.53 7.94 -1.26 -4.78 117.00 121.04 2qud n LEU 38 Ca 0.03 1.13 -0.19 0.00 -1.11 0.00 0.00 56.01 55.87 2qud n LEU 38 Cb 0.43 -1.47 -0.15 0.00 0.53 0.00 0.00 43.42 42.76 2qud n LEU 38 CO 0.57 -0.31 -0.44 -0.60 -1.11 0.00 0.00 177.39 175.50 2qud s ARG 39 N -0.24 0.79 -0.11 1.96 3.52 -0.91 -1.24 118.95 122.72 2qud s ARG 39 Ca 0.69 -0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.97 2qud s ARG 39 Cb -0.62 -0.76 0.01 0.00 -1.56 0.00 0.00 34.95 32.03 2qud s ARG 39 CO 0.48 0.19 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.83 2qud s LEU 40 N -0.16 1.73 -0.12 -0.88 2.96 0.31 -0.58 118.68 121.93 2qud s LEU 40 Ca 0.03 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2qud s LEU 40 Cb -0.04 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 2qud s LEU 40 CO -0.00 0.02 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.00 2qud s THR 41 N 0.99 2.82 -0.02 3.68 2.01 -0.35 -0.28 115.64 124.49 2qud s THR 41 Ca -0.06 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.24 2qud s THR 41 Cb -0.15 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 2qud s THR 41 CO -0.02 0.53 -0.16 0.00 -0.69 0.00 0.00 174.62 174.29 2qud s ALA 42 N 0.35 1.30 0.07 7.40 0.00 0.09 -0.39 121.76 130.58 2qud s ALA 42 Ca -0.13 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 2qud s ALA 42 Cb -0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2qud s ALA 42 CO 0.06 0.31 0.10 -1.54 0.00 0.00 0.00 175.76 174.69 2qud s SER 43 N -0.31 0.26 -0.05 0.00 1.04 -0.11 -0.48 113.70 114.05 2qud s SER 43 Ca 0.05 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.74 2qud s SER 43 Cb -0.07 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.35 2qud s SER 43 CO -0.00 -0.64 -0.04 -0.22 0.98 0.00 0.00 173.24 173.31 2qud s LEU 44 N -2.74 1.31 0.05 2.42 2.96 -0.73 -1.06 118.68 120.89 2qud s LEU 44 Ca 0.04 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2qud s LEU 44 Cb 0.05 -0.45 -0.04 0.00 0.50 0.00 0.00 46.19 46.24 2qud s LEU 44 CO -0.09 -0.06 -0.03 0.00 -1.32 0.00 0.00 176.35 174.85 2qud s ARG 45 N 0.95 0.61 0.22 1.98 1.70 -0.56 -4.81 118.95 119.05 2qud s ARG 45 Ca -0.11 -1.21 -0.10 0.00 -0.47 0.00 0.00 55.73 53.84 2qud s ARG 45 Cb -0.14 0.19 -0.07 0.00 -0.57 0.00 0.00 34.95 34.36 2qud s ARG 45 CO -0.00 -0.11 0.55 -0.65 -1.08 0.00 0.00 175.30 174.01 2qud s GLN 46 N -3.87 3.82 0.98 3.89 -0.21 -1.26 -0.30 119.66 122.70 2qud s GLN 46 Ca 0.07 0.29 -0.13 0.00 0.02 0.00 0.00 55.36 55.61 2qud s GLN 46 Cb 0.08 -2.67 0.18 0.00 1.00 0.00 0.00 33.01 31.59 2qud s GLN 46 CO -0.10 0.33 1.13 0.54 -2.12 0.00 0.00 175.29 175.07 2qud s ASN 47 N -2.31 2.86 0.39 5.90 2.20 -0.52 -4.88 114.94 118.59 2qud s ASN 47 Ca 0.47 0.97 0.11 0.00 -0.94 0.00 0.00 52.86 53.47 2qud s ASN 47 Cb -0.11 -1.53 0.90 0.00 -2.00 0.00 0.00 41.25 38.51 2qud s ASN 47 CO 0.21 -2.96 1.93 1.23 -2.94 0.00 0.00 177.10 174.58 2qud h GLY 48 N -1.78 0.87 1.56 0.45 0.00 -1.99 -2.15 103.07 100.04 2qud h GLY 48 Ca -0.51 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2qud h GLY 48 CO 0.57 0.12 -0.06 0.00 0.00 0.00 0.00 176.54 177.17 2qud n ALA 49 N -2.48 2.56 -2.31 3.60 0.00 -1.26 -4.94 120.51 115.68 2qud n ALA 49 Ca 0.13 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 2qud n ALA 49 Cb 0.39 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 2qud n ALA 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qud n LYS 50 N -1.32 -1.70 0.00 0.00 4.81 -0.81 -4.89 118.16 114.24 2qud n LYS 50 Ca 0.11 1.00 0.06 0.00 -0.87 0.00 0.00 58.31 58.61 2qud n LYS 50 Cb 0.29 -5.63 -0.06 0.00 0.02 0.00 0.00 35.03 29.65 2qud n LYS 50 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2qud n THR 51 N -3.76 0.00 -3.78 3.15 -2.24 -1.26 -4.94 114.28 101.44 2qud n THR 51 Ca -0.23 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 2qud n THR 51 Cb 0.68 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.87 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 -2.14 -0.48 -0.03 6.98 0.00 -1.26 -0.74 121.76 124.09 2qud s ALA 52 Ca 0.06 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.63 2qud s ALA 52 Cb 0.10 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 2qud s ALA 52 CO 0.50 -0.55 -0.03 0.71 0.00 0.00 0.00 175.76 176.39 2qud s TYR 53 N -3.79 3.02 -0.23 0.00 2.02 0.95 -1.44 117.35 117.89 2qud s TYR 53 Ca 0.04 0.06 -0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2qud s TYR 53 Cb 0.04 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2qud s TYR 53 CO -0.11 0.42 -0.10 0.50 -1.57 0.00 0.00 175.55 174.69 2qud s ARG 54 N -1.25 2.90 -0.22 -0.62 6.06 0.58 -0.60 118.95 125.80 2qud s ARG 54 Ca 0.16 -0.92 -0.08 0.00 -2.50 0.00 0.00 55.73 52.39 2qud s ARG 54 Cb -0.11 -2.87 -0.04 0.00 0.06 0.00 0.00 34.95 31.98 2qud s ARG 54 CO 0.06 -0.34 0.10 0.08 -2.50 0.00 0.00 175.30 172.70 2qud s VAL 55 N 1.32 4.86 -0.10 7.11 1.01 -0.06 -1.49 120.40 133.04 2qud s VAL 55 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2qud s VAL 55 Cb -0.16 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2qud s VAL 55 CO -0.07 0.39 -0.16 0.20 0.00 0.00 0.00 175.10 175.46 2qud s ASN 56 N 0.90 3.79 -0.07 3.32 -0.87 -0.22 -0.55 114.94 121.24 2qud s ASN 56 Ca 0.05 -0.35 0.02 0.00 -1.57 0.00 0.00 52.86 51.00 2qud s ASN 56 Cb -0.13 -1.36 0.02 0.00 -0.02 0.00 0.00 41.25 39.75 2qud s ASN 56 CO 0.03 0.21 -0.11 -0.76 -2.57 0.00 0.00 177.10 173.90 2qud s LEU 57 N 0.09 1.53 -0.20 0.60 1.43 -0.69 -0.94 118.68 120.51 2qud s LEU 57 Ca -0.07 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2qud s LEU 57 Cb -0.15 -0.80 0.05 0.00 0.03 0.00 0.00 46.19 45.33 2qud s LEU 57 CO 0.05 -0.00 -0.04 -0.75 0.23 0.00 0.00 176.35 175.84 2qud s LYS 58 N 0.89 1.38 -0.30 1.70 2.20 0.48 -0.12 119.74 125.96 2qud s LYS 58 Ca -0.11 -0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 54.69 2qud s LYS 58 Cb -0.15 -2.25 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 2qud s LYS 58 CO 0.01 -0.53 0.26 -1.17 -0.36 0.00 0.00 175.35 173.56 2qud s LEU 59 N 1.58 4.22 -0.23 5.43 2.96 -0.50 -1.21 118.68 130.94 2qud s LEU 59 Ca -0.02 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 2qud s LEU 59 Cb -0.17 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 2qud s LEU 59 CO -0.07 -0.17 0.03 -1.81 -1.32 0.00 0.00 176.35 173.01 2qud s ASP 60 N 1.73 4.89 -0.29 3.68 1.01 0.26 -1.35 116.67 126.58 2qud s ASP 60 Ca 0.09 -0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.15 2qud s ASP 60 Cb -0.16 -1.86 0.08 0.00 1.01 0.00 0.00 42.92 41.98 2qud s ASP 60 CO 0.11 0.00 -0.04 -1.58 0.21 0.00 0.00 175.17 173.87 2qud s GLN 61 N 1.37 1.94 0.28 8.23 0.74 0.28 -2.14 119.66 130.36 2qud s GLN 61 Ca 0.05 -1.56 -0.22 0.00 0.05 0.00 0.00 55.36 53.68 2qud s GLN 61 Cb -0.15 -3.03 -0.09 0.00 1.10 0.00 0.00 33.01 30.85 2qud s GLN 61 CO 0.02 -0.72 0.82 0.00 -0.55 0.00 0.00 175.29 174.85 2qud s ALA 62 N 1.02 3.31 -0.30 1.58 0.00 -1.26 -1.20 121.76 124.91 2qud s ALA 62 Ca -0.01 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 2qud s ALA 62 Cb -0.20 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 19.96 2qud s ALA 62 CO -0.06 0.26 0.11 0.34 0.00 0.00 0.00 175.76 176.41 2qud s ASP 63 N -1.73 5.28 -0.16 0.00 -1.08 0.09 -4.95 116.67 114.12 2qud s ASP 63 Ca 0.48 -0.67 -0.08 0.00 -0.52 0.00 0.00 52.55 51.76 2qud s ASP 63 Cb -0.16 -1.92 -0.04 0.00 -1.46 0.00 0.00 42.92 39.33 2qud s ASP 63 CO 0.21 -0.20 0.10 -0.69 0.52 0.00 0.00 175.17 175.11 2qud s VAL 64 N 1.54 5.14 0.00 1.11 1.01 -1.26 -0.89 120.40 127.05 2qud s VAL 64 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2qud s VAL 64 Cb -0.17 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2qud s VAL 64 CO 0.04 0.51 0.48 0.55 0.00 0.00 0.00 175.10 176.68 2qud n VAL 65 N 2.96 0.00 0.00 2.92 3.14 -1.26 -4.93 118.33 121.16 2qud n VAL 65 Ca -0.18 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 2qud n VAL 65 Cb 0.53 1.01 0.00 0.00 -1.06 0.00 0.00 33.84 34.32 2qud n VAL 65 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2qud n PRO 76 N -0.04 0.00 -3.83 1.45 -0.04 -1.26 -5.07 135.00 126.21 2qud n PRO 76 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 2qud n PRO 76 Cb 0.00 -0.16 -0.17 0.00 -0.04 0.00 0.00 33.50 33.13 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 0.00 0.32 -0.25 0.54 2.20 -1.26 -5.02 119.74 116.26 2qud s LYS 77 Ca 0.00 0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.47 2qud s LYS 77 Cb 0.00 -0.64 -0.00 0.00 -1.51 0.00 0.00 37.83 35.68 2qud s LYS 77 CO 0.00 -0.23 1.22 0.08 -0.36 0.00 0.00 175.35 176.06 2qud s VAL 78 N 1.56 4.31 0.06 4.02 1.01 -1.26 -4.43 120.40 125.66 2qud s VAL 78 Ca -0.02 1.53 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 2qud s VAL 78 Cb -0.13 -4.17 -0.30 0.00 0.00 0.00 0.00 36.38 31.79 2qud s VAL 78 CO -0.03 -0.33 1.09 0.08 0.00 0.00 0.00 175.10 175.92 2qud h ARG 79 N 8.52 0.32 -3.04 2.72 0.11 -1.37 -3.48 114.38 118.15 2qud h ARG 79 Ca -0.24 -0.54 -0.01 0.00 0.10 0.00 0.00 59.98 59.28 2qud h ARG 79 Cb 1.09 0.20 -0.11 0.00 1.11 0.00 0.00 29.97 32.26 2qud h ARG 79 CO 1.01 1.25 0.19 1.52 0.10 0.00 0.00 179.97 184.04 2qud s TYR 80 N -2.64 -0.45 -0.05 4.08 -0.85 -1.22 -5.03 117.35 111.19 2qud s TYR 80 Ca -0.05 0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.72 2qud s TYR 80 Cb 0.07 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.96 2qud s TYR 80 CO 0.89 -0.90 -0.13 0.99 -1.52 0.00 0.00 175.55 174.88 2qud s THR 81 N -3.78 1.16 0.09 -3.49 2.01 -1.26 -0.73 115.64 109.64 2qud s THR 81 Ca 0.03 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.55 2qud s THR 81 Cb -0.02 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2qud s THR 81 CO -0.10 0.35 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.01 2qud s GLN 82 N 0.33 2.27 -0.02 4.92 -0.21 -0.34 -4.96 119.66 121.64 2qud s GLN 82 Ca -0.08 -0.95 0.01 0.00 0.02 0.00 0.00 55.36 54.36 2qud s GLN 82 Cb -0.13 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.52 2qud s GLN 82 CO 0.02 0.52 -0.03 0.08 -2.12 0.00 0.00 175.29 173.77 2qud s VAL 83 N -1.21 0.31 -0.24 1.09 1.01 -1.26 -0.56 120.40 119.53 2qud s VAL 83 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2qud s VAL 83 Cb -0.11 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 36.01 2qud s VAL 83 CO 0.14 0.13 -0.03 0.86 0.00 0.00 0.00 175.10 176.20 2qud s TRP 84 N 0.47 2.28 0.14 5.22 -0.11 -0.46 -5.00 118.94 121.48 2qud s TRP 84 Ca -0.05 -1.72 0.07 0.00 1.22 0.00 0.00 56.10 55.62 2qud s TRP 84 Cb -0.08 -1.59 -0.04 0.00 -1.50 0.00 0.00 33.47 30.26 2qud s TRP 84 CO -0.01 -0.77 -0.04 -1.54 -4.62 0.00 0.00 176.95 169.98 2qud s SER 85 N 1.43 4.67 -0.04 5.86 1.04 -1.26 -1.40 113.70 124.00 2qud s SER 85 Ca -0.04 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.08 2qud s SER 85 Cb -0.19 -0.97 -0.01 0.00 0.10 0.00 0.00 66.02 64.95 2qud s SER 85 CO -0.08 0.13 -0.22 -1.00 0.98 0.00 0.00 173.24 173.05 2qud s HIS 86 N -1.52 2.13 -0.22 5.02 0.09 0.84 -4.98 115.29 116.64 2qud s HIS 86 Ca 0.25 -0.57 -0.01 0.00 -0.00 0.00 0.00 55.06 54.73 2qud s HIS 86 Cb -0.10 -1.40 0.06 0.00 -0.00 0.00 0.00 32.58 31.14 2qud s HIS 86 CO 0.17 -0.16 -0.02 0.34 -0.00 0.00 0.00 174.74 175.07 2qud s ASP 87 N -0.19 3.50 -0.20 1.40 3.68 -1.26 -1.70 116.67 121.89 2qud s ASP 87 Ca -0.01 -1.04 -0.04 0.00 2.13 0.00 0.00 52.55 53.59 2qud s ASP 87 Cb -0.12 -0.96 -0.02 0.00 -1.45 0.00 0.00 42.92 40.38 2qud s ASP 87 CO 0.02 -0.26 -0.03 -0.69 0.13 0.00 0.00 175.17 174.33 2qud s VAL 88 N 1.57 3.57 -0.32 1.11 1.01 0.29 -4.97 120.40 122.66 2qud s VAL 88 Ca -0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 2qud s VAL 88 Cb -0.18 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2qud s VAL 88 CO -0.07 0.43 0.18 -0.89 0.00 0.00 0.00 175.10 174.75 2qud s THR 89 N 1.19 4.76 -0.21 3.92 2.01 -1.26 -0.89 115.64 125.16 2qud s THR 89 Ca 0.02 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 2qud s THR 89 Cb -0.14 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.94 2qud s THR 89 CO -0.00 0.03 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.20 2qud s ILE 90 N 1.64 2.54 0.14 1.82 -1.09 0.23 -4.98 121.20 121.49 2qud s ILE 90 Ca 0.05 -0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 57.24 2qud s ILE 90 Cb -0.17 -2.18 -0.06 0.00 -1.58 0.00 0.00 42.46 38.46 2qud s ILE 90 CO 0.07 0.38 1.02 -0.69 -1.23 0.00 0.00 174.94 174.50 2qud s VAL 91 N 1.32 4.24 0.18 2.92 1.01 -1.26 -0.03 120.40 128.78 2qud s VAL 91 Ca 0.03 1.88 -0.12 0.00 0.00 0.00 0.00 61.98 63.77 2qud s VAL 91 Cb -0.15 -4.20 0.09 0.00 0.00 0.00 0.00 36.38 32.12 2qud s VAL 91 CO -0.08 0.30 1.80 0.00 0.00 0.00 0.00 175.10 177.11 2qud h ALA 92 N 5.43 0.78 -0.47 5.51 0.00 -1.27 -2.14 119.26 127.09 2qud h ALA 92 Ca -0.43 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 2qud h ALA 92 Cb 1.21 -0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 2qud h ALA 92 CO 0.72 0.29 0.25 0.27 0.00 0.00 0.00 179.25 180.78 2qud n ASN 93 N -4.58 3.46 -4.83 0.00 0.23 -1.26 -4.96 115.26 103.32 2qud n ASN 93 Ca 0.04 -2.76 -0.31 0.00 -0.53 0.00 0.00 54.58 51.02 2qud n ASN 93 Cb 0.08 -0.66 0.04 0.00 -2.08 0.00 0.00 39.78 37.16 2qud n ASN 93 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2qud s SER 94 N -0.29 5.63 0.49 0.53 1.04 -0.81 -5.07 113.70 115.22 2qud s SER 94 Ca 0.30 1.58 -0.18 0.00 0.48 0.00 0.00 55.95 58.13 2qud s SER 94 Cb 0.25 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.79 2qud s SER 94 CO 0.07 -1.27 0.99 0.42 0.98 0.00 0.00 173.24 174.42 2qud s THR 95 N -3.04 4.33 0.20 2.02 -4.23 -1.26 -4.99 115.64 108.66 2qud s THR 95 Ca 0.58 1.27 -0.11 0.00 -1.18 0.00 0.00 61.69 62.25 2qud s THR 95 Cb -0.13 -3.62 0.13 0.00 1.34 0.00 0.00 72.50 70.22 2qud s THR 95 CO 0.53 -0.49 1.84 -0.08 -0.54 0.00 0.00 174.62 175.89 2qud h GLU 96 N 1.29 0.80 -0.86 3.99 4.81 -2.00 -2.36 114.58 120.25 2qud h GLU 96 Ca -0.48 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 58.82 2qud h GLU 96 Cb 1.19 -0.18 -0.08 0.00 0.63 0.00 0.00 28.75 30.31 2qud h GLU 96 CO 0.61 0.53 0.49 0.00 -0.73 0.00 0.00 179.01 179.90 2qud h ALA 97 N 1.28 1.27 -0.47 2.92 0.00 -1.99 0.34 119.26 122.61 2qud h ALA 97 Ca 0.26 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2qud h ALA 97 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2qud h ALA 97 CO -0.10 0.06 -0.12 0.66 0.00 0.00 0.00 179.25 179.75 2qud h SER 98 N 0.77 0.87 -0.23 0.00 4.64 -1.83 -0.57 113.55 117.20 2qud h SER 98 Ca 0.44 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 2qud h SER 98 Cb 0.48 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2qud h SER 98 CO -0.29 1.00 -0.30 0.03 -0.87 0.00 0.00 176.83 176.40 2qud h ARG 99 N 0.79 0.61 -0.94 4.77 3.08 -1.11 -1.80 114.38 119.77 2qud h ARG 99 Ca 0.13 -0.35 0.03 0.00 0.07 0.00 0.00 59.98 59.85 2qud h ARG 99 Cb 0.63 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.66 2qud h ARG 99 CO 0.04 0.95 0.62 -0.22 -1.07 0.00 0.00 179.97 180.30 2qud h LYS 100 N 0.30 1.19 -0.14 0.04 1.63 -0.83 -1.18 116.57 117.58 2qud h LYS 100 Ca 0.03 -0.07 -0.16 0.00 -0.85 0.00 0.00 60.65 59.59 2qud h LYS 100 Cb 0.88 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 2qud h LYS 100 CO 0.07 0.78 -0.60 0.66 -3.45 0.00 0.00 179.45 176.92 2qud h SER 101 N 1.22 0.52 -0.38 4.20 4.64 -1.01 0.15 113.55 122.89 2qud h SER 101 Ca 0.36 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2qud h SER 101 Cb -0.05 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 2qud h SER 101 CO -0.10 1.00 0.24 0.25 -0.87 0.00 0.00 176.83 177.35 2qud h LEU 102 N 0.34 0.42 0.42 5.97 5.85 -1.00 -0.28 115.31 127.03 2qud h LEU 102 Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2qud h LEU 102 Cb 1.14 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2qud h LEU 102 CO 0.11 0.30 -0.21 0.22 -0.34 0.00 0.00 178.44 178.51 2qud h TYR 103 N 0.50 -0.56 -0.89 1.25 3.20 -1.03 -1.73 116.97 117.71 2qud h TYR 103 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2qud h TYR 103 Cb -0.04 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2qud h TYR 103 CO -0.06 -0.34 0.52 -0.44 -1.64 0.00 0.00 178.16 176.20 2qud h ASP 104 N -0.58 1.09 -0.31 -2.11 3.32 -0.58 0.34 116.42 117.59 2qud h ASP 104 Ca -0.05 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 2qud h ASP 104 Cb 0.46 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2qud h ASP 104 CO 0.08 0.86 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.27 2qud h LEU 105 N 1.24 0.74 -0.17 1.55 3.38 -1.05 -1.83 115.31 119.17 2qud h LEU 105 Ca 0.32 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2qud h LEU 105 Cb -0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2qud h LEU 105 CO -0.06 0.88 -0.43 0.74 0.09 0.00 0.00 178.44 179.67 2qud h THR 106 N 0.68 1.34 -0.61 0.22 2.02 -0.65 -0.24 112.91 115.67 2qud h THR 106 Ca 0.11 -1.68 0.10 0.00 0.77 0.00 0.00 66.41 65.71 2qud h THR 106 Cb 0.59 1.95 -0.08 0.00 -1.74 0.00 0.00 68.15 68.88 2qud h THR 106 CO 0.04 0.52 0.21 0.50 0.37 0.00 0.00 175.52 177.16 2qud h LYS 107 N 0.25 0.37 -0.41 6.66 3.64 -0.89 -1.68 116.57 124.51 2qud h LYS 107 Ca -0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2qud h LYS 107 Cb 1.04 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 2qud h LYS 107 CO 0.09 0.25 0.10 0.77 -2.27 0.00 0.00 179.45 178.39 2qud h SER 108 N 0.38 0.63 -0.00 4.20 0.02 -1.21 -2.30 113.55 115.27 2qud h SER 108 Ca 0.31 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2qud h SER 108 Cb 0.40 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2qud h SER 108 CO -0.33 0.70 -0.07 0.25 -1.14 0.00 0.00 176.83 176.24 2qud h LEU 109 N 0.53 -0.21 -1.14 5.07 5.85 -0.71 -2.47 115.31 122.24 2qud h LEU 109 Ca 0.13 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2qud h LEU 109 Cb 0.32 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2qud h LEU 109 CO 0.00 -0.11 0.10 0.58 -0.34 0.00 0.00 178.44 178.67 2qud h VAL 110 N -0.13 1.21 0.00 1.05 2.07 -1.27 -2.23 116.25 116.95 2qud h VAL 110 Ca 0.03 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2qud h VAL 110 Cb 0.16 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2qud h VAL 110 CO -0.08 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.79 2qud n ALA 111 N -2.47 1.85 -1.77 1.67 0.00 -0.87 -4.57 120.51 114.35 2qud n ALA 111 Ca 0.03 -0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 2qud n ALA 111 Cb 0.22 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2qud n ALA 111 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qud s THR 112 N -3.02 3.04 0.28 0.00 -4.23 -0.84 -4.92 115.64 105.95 2qud s THR 112 Ca 0.09 0.68 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 2qud s THR 112 Cb 0.12 -3.30 0.28 0.00 1.34 0.00 0.00 72.50 70.94 2qud s THR 112 CO 0.35 -0.10 1.81 -1.28 -0.54 0.00 0.00 174.62 174.85 2qud h SER 113 N 1.38 0.84 -0.47 3.99 0.87 -1.89 -2.46 113.55 115.82 2qud h SER 113 Ca -0.50 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 2qud h SER 113 Cb 1.26 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2qud h SER 113 CO 0.57 0.40 0.25 1.56 -0.53 0.00 0.00 176.83 179.09 2qud h GLN 114 N 0.89 0.65 -0.38 2.24 4.20 -1.92 -0.08 115.11 120.71 2qud h GLN 114 Ca 0.52 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 59.04 2qud h GLN 114 Cb 0.62 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2qud h GLN 114 CO -0.31 0.52 -0.20 0.28 -0.67 0.00 0.00 178.83 178.45 2qud h VAL 115 N 0.61 1.27 -0.31 -0.54 2.07 -1.72 -0.29 116.25 117.35 2qud h VAL 115 Ca 0.16 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.43 2qud h VAL 115 Cb 0.06 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2qud h VAL 115 CO -0.03 0.43 0.07 -0.08 0.02 0.00 0.00 177.57 177.99 2qud h GLU 116 N 0.66 0.18 -0.78 1.57 4.81 -1.15 -2.00 114.58 117.86 2qud h GLU 116 Ca 0.10 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2qud h GLU 116 Cb 0.70 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 2qud h GLU 116 CO 0.05 0.12 0.52 0.22 -0.73 0.00 0.00 179.01 179.19 2qud h ASP 117 N 0.19 0.89 0.25 1.04 1.82 -0.64 0.68 116.42 120.65 2qud h ASP 117 Ca 0.14 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 2qud h ASP 117 Cb 0.14 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2qud h ASP 117 CO -0.18 0.64 -0.12 0.25 -1.61 0.00 0.00 179.24 178.23 2qud h LEU 118 N 1.05 -0.29 -0.32 2.28 5.85 -0.68 -0.41 115.31 122.79 2qud h LEU 118 Ca 0.29 -0.14 -0.19 0.00 0.84 0.00 0.00 57.88 58.68 2qud h LEU 118 Cb -0.11 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2qud h LEU 118 CO -0.06 -0.02 -0.58 0.58 -0.34 0.00 0.00 178.44 178.02 2qud h VAL 119 N -0.56 1.28 0.20 1.05 2.07 -1.19 -1.22 116.25 117.89 2qud h VAL 119 Ca -0.03 -1.78 -0.35 0.00 0.82 0.00 0.00 66.70 65.35 2qud h VAL 119 Cb 0.41 1.71 0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2qud h VAL 119 CO 0.06 0.57 -1.70 0.58 0.02 0.00 0.00 177.57 177.10 2qud h VAL 120 N 0.60 1.01 -0.02 2.57 2.07 -0.96 -3.40 116.25 118.11 2qud h VAL 120 Ca 0.00 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.97 2qud h VAL 120 Cb 1.18 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 2qud h VAL 120 CO 0.12 0.85 0.00 0.59 0.02 0.00 0.00 177.57 179.15 2qud n ASN 121 N -3.62 1.53 -3.07 0.57 3.02 -0.23 -5.01 115.26 108.44 2qud n ASN 121 Ca -0.23 -1.42 -0.22 0.00 -0.03 0.00 0.00 54.58 52.68 2qud n ASN 121 Cb 1.08 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 40.27 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 -0.04 -2.46 -4.60 3.41 4.77 -0.46 -4.93 117.00 112.69 2qud n LEU 122 Ca 0.02 -0.30 -0.39 0.00 -0.03 0.00 0.00 56.01 55.30 2qud n LEU 122 Cb 0.13 -2.82 -0.09 0.00 -2.33 0.00 0.00 43.42 38.32 2qud n LEU 122 CO 0.01 0.21 0.05 -0.69 -1.33 0.00 0.00 177.39 175.65 2qud s VAL 123 N -3.13 5.18 0.68 4.08 1.01 -0.94 -4.94 120.40 122.33 2qud s VAL 123 Ca 0.32 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 2qud s VAL 123 Cb -0.15 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 2qud s VAL 123 CO 0.39 0.15 1.11 -2.65 0.00 0.00 0.00 175.10 174.10 2qud n PRO 124 N 5.33 0.79 -1.08 2.72 -0.02 -1.26 -3.24 135.00 138.23 2qud n PRO 124 Ca -0.09 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 2qud n PRO 124 Cb 0.51 -2.35 0.13 0.00 -0.02 0.00 0.00 33.50 31.77 2qud n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qud s LEU 125 N -3.61 3.12 0.00 2.45 1.43 -1.26 -4.92 118.68 115.88 2qud s LEU 125 Ca 0.78 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 2qud s LEU 125 Cb -0.37 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.26 2qud s LEU 125 CO 0.46 -2.71 0.00 0.61 0.23 0.00 0.00 176.35 174.93 2qud n GLY 126 N 0.48 2.40 0.00 -3.19 0.00 -1.26 -5.19 105.19 98.42 2qud n GLY 126 Ca 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2qud n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86