#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gux n VAL -3 N 0.00 0.00 -1.27 0.00 3.14 -1.26 -5.17 118.33 113.78 2gux n VAL -3 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 2gux n VAL -3 Cb 0.00 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 32.89 2gux n VAL -3 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 2gux s PRO -2 N -1.95 1.89 0.14 1.45 0.02 -1.26 -4.93 135.00 130.36 2gux s PRO -2 Ca 0.00 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 2gux s PRO -2 Cb 0.00 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 2gux s PRO -2 CO 0.00 -2.02 1.28 0.50 -0.33 0.00 0.00 177.00 176.43 2gux s ARG -1 N -4.07 4.40 -1.54 5.54 3.52 -1.26 -1.64 118.95 123.91 2gux s ARG -1 Ca 0.73 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 2gux s ARG -1 Cb -0.28 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 2gux s ARG -1 CO 0.48 -0.27 0.00 0.41 -0.81 0.00 0.00 175.30 175.11 2gux n GLY 0 N 2.85 1.44 0.13 8.12 0.00 -1.26 -4.90 105.19 111.58 2gux n GLY 0 Ca 0.08 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.89 2gux n GLY 0 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gux h SER 1 N 0.00 0.00 -3.46 1.61 4.64 -1.67 -3.38 113.55 111.28 2gux h SER 1 Ca -0.30 -0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 60.35 2gux h SER 1 Cb 0.96 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.78 2gux h SER 1 CO 0.44 0.01 -0.70 -0.22 -0.87 0.00 0.00 176.83 175.48 2gux s LEU 2 N -4.96 3.08 0.00 5.97 2.96 -1.26 -5.06 118.68 119.41 2gux s LEU 2 Ca 0.09 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 2gux s LEU 2 Cb 0.10 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 45.03 2gux s LEU 2 CO 0.62 -0.04 0.34 1.07 -1.32 0.00 0.00 176.35 177.02 2gux n THR 3 N 4.82 0.00 -3.86 3.68 5.66 -1.26 -5.12 114.28 118.20 2gux n THR 3 Ca -0.17 -0.84 -0.09 0.00 -3.05 0.00 0.00 64.05 59.89 2gux n THR 3 Cb 0.51 0.60 -0.07 0.00 -1.55 0.00 0.00 70.33 69.81 2gux n THR 3 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2gux s HIS 4 N -4.34 0.17 -0.06 1.09 -3.43 -1.26 -5.16 115.29 102.30 2gux s HIS 4 Ca 0.14 -0.57 -0.04 0.00 -0.80 0.00 0.00 55.06 53.79 2gux s HIS 4 Cb -0.01 -0.00 0.02 0.00 -1.43 0.00 0.00 32.58 31.16 2gux s HIS 4 CO 0.10 -0.63 0.15 0.50 -2.00 0.00 0.00 174.74 172.85 2gux s ARG 5 N -3.89 0.15 -0.12 -0.38 3.52 -1.26 -5.15 118.95 111.82 2gux s ARG 5 Ca 0.09 0.25 -0.08 0.00 -0.13 0.00 0.00 55.73 55.86 2gux s ARG 5 Cb 0.04 0.00 -0.04 0.00 -1.56 0.00 0.00 34.95 33.39 2gux s ARG 5 CO -0.07 -0.06 0.17 0.21 -0.81 0.00 0.00 175.30 174.73 2gux s LYS 6 N 0.41 3.57 0.02 5.12 2.20 -1.26 -5.10 119.74 124.70 2gux s LYS 6 Ca -0.03 -0.08 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 2gux s LYS 6 Cb -0.04 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2gux s LYS 6 CO -0.02 0.71 -0.17 -0.06 -0.36 0.00 0.00 175.35 175.46 2gux s PHE 7 N -0.87 1.47 0.00 4.03 0.40 -1.26 -5.09 117.98 116.66 2gux s PHE 7 Ca 0.15 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 2gux s PHE 7 Cb -0.12 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.51 2gux s PHE 7 CO 0.04 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.40 2gux n GLY 8 N 2.18 -1.73 0.00 4.36 0.00 -1.26 -5.08 105.19 103.67 2gux n GLY 8 Ca -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2gux n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gux n GLY 9 N 0.00 4.90 0.20 -0.02 0.00 -1.26 -5.06 105.19 103.95 2gux n GLY 9 Ca 0.00 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.19 2gux n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gux n SER 10 N 0.00 1.30 -4.62 1.61 3.41 -1.26 -5.03 113.62 109.03 2gux n SER 10 Ca 0.00 -1.15 -0.29 0.00 -0.26 0.00 0.00 58.87 57.17 2gux n SER 10 Cb 0.00 0.75 0.19 0.00 -0.26 0.00 0.00 64.21 64.89 2gux n SER 10 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gux s GLY 11 N -2.43 1.58 0.01 5.00 0.00 -1.26 -5.00 107.32 105.22 2gux s GLY 11 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.67 2gux s GLY 11 CO 0.61 0.45 0.00 0.61 0.00 0.00 0.00 173.10 174.77 2gux n GLY 12 N -0.38 -2.20 3.68 0.20 0.00 -1.26 -4.89 105.19 100.34 2gux n GLY 12 Ca 0.05 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 2gux n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gux s SER 13 N -2.70 5.39 0.41 1.61 0.01 -1.26 -5.09 113.70 112.07 2gux s SER 13 Ca 0.00 0.15 -0.24 0.00 1.31 0.00 0.00 55.95 57.17 2gux s SER 13 Cb 0.00 -1.65 -0.11 0.00 0.21 0.00 0.00 66.02 64.47 2gux s SER 13 CO 0.00 0.33 0.91 -2.65 0.41 0.00 0.00 173.24 172.24 2gux n PRO 14 N 2.47 1.16 -3.94 12.44 -0.02 -1.26 -5.06 135.00 140.79 2gux n PRO 14 Ca -0.18 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.63 2gux n PRO 14 Cb 0.53 -1.91 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 2gux n PRO 14 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2gux s PHE 15 N -1.30 0.33 0.14 6.00 -0.12 -1.26 -4.47 117.98 117.30 2gux s PHE 15 Ca 0.63 -0.76 0.10 0.00 -0.05 0.00 0.00 56.93 56.86 2gux s PHE 15 Cb -0.58 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 41.62 2gux s PHE 15 CO 0.57 -0.55 -0.23 0.45 -0.05 0.00 0.00 175.22 175.41 2gux s SER 16 N -2.91 3.54 0.61 1.98 0.15 -1.26 -5.00 113.70 110.81 2gux s SER 16 Ca 0.09 -0.71 0.33 0.00 0.70 0.00 0.00 55.95 56.36 2gux s SER 16 Cb 0.05 -0.34 1.95 0.00 -1.71 0.00 0.00 66.02 65.98 2gux s SER 16 CO -0.07 0.16 2.28 1.23 1.20 0.00 0.00 173.24 178.04 2gux h GLY 17 N 3.65 0.00 -7.63 9.45 0.00 -2.02 -3.32 103.07 103.20 2gux h GLY 17 Ca -0.50 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.10 2gux h GLY 17 CO 0.43 0.00 0.46 -2.27 0.00 0.00 0.00 176.54 175.17 2gux s LEU 18 N -7.31 5.90 -0.20 3.11 2.96 -1.26 -4.85 118.68 117.03 2gux s LEU 18 Ca -0.05 -2.35 0.12 0.00 -0.22 0.00 0.00 54.13 51.63 2gux s LEU 18 Cb 0.15 -2.30 -0.22 0.00 0.50 0.00 0.00 46.19 44.31 2gux s LEU 18 CO 0.52 -0.82 0.04 -1.20 -1.32 0.00 0.00 176.35 173.56 2gux n SER 19 N 5.28 0.77 -3.46 3.68 7.64 -1.25 -4.86 113.62 121.42 2gux n SER 19 Ca 0.18 -0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.93 2gux n SER 19 Cb 0.48 0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 64.05 2gux n SER 19 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2gux s SER 20 N -5.92 -0.58 -0.05 6.43 1.04 -1.26 -1.84 113.70 111.51 2gux s SER 20 Ca -0.18 0.19 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 2gux s SER 20 Cb 0.07 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.79 2gux s SER 20 CO 0.76 -0.86 0.14 -0.63 0.98 0.00 0.00 173.24 173.62 2gux s ILE 21 N -3.02 -0.01 0.16 -1.02 1.01 -0.64 -0.61 121.20 117.07 2gux s ILE 21 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 2gux s ILE 21 Cb -0.01 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.23 2gux s ILE 21 CO -0.06 0.02 0.18 0.00 0.00 0.00 0.00 174.94 175.07 2gux s ALA 22 N 0.33 0.51 0.06 9.38 0.00 -0.49 -0.35 121.76 131.20 2gux s ALA 22 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2gux s ALA 22 Cb -0.03 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 2gux s ALA 22 CO -0.01 -0.58 -0.05 0.14 0.00 0.00 0.00 175.76 175.26 2gux s VAL 23 N -4.03 0.42 -0.11 0.00 -7.23 -1.26 -0.08 120.40 108.11 2gux s VAL 23 Ca 0.23 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2gux s VAL 23 Cb 0.05 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2gux s VAL 23 CO 0.03 -0.84 -0.04 -0.13 -0.31 0.00 0.00 175.10 173.81 2gux s ARG 24 N -3.40 3.18 -0.02 4.82 0.52 -0.36 -0.95 118.95 122.72 2gux s ARG 24 Ca 0.05 -0.50 -0.22 0.00 -0.52 0.00 0.00 55.73 54.54 2gux s ARG 24 Cb 0.03 -2.77 0.04 0.00 0.52 0.00 0.00 34.95 32.77 2gux s ARG 24 CO -0.06 0.51 0.48 -1.54 0.02 0.00 0.00 175.30 174.71 2gux s SER 25 N -0.37 -0.40 0.00 0.23 1.04 -0.39 -0.39 113.70 113.42 2gux s SER 25 Ca 0.06 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2gux s SER 25 Cb -0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2gux s SER 25 CO 0.02 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2gux n GLY 26 N 1.03 3.10 0.13 7.32 0.00 -1.26 -0.91 105.19 114.60 2gux n GLY 26 Ca -0.20 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.62 2gux n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gux h SER 27 N 0.00 0.00 -1.76 1.61 4.64 -1.91 -3.22 113.55 112.91 2gux h SER 27 Ca 0.00 -0.01 -0.61 0.00 -0.47 0.00 0.00 61.79 60.70 2gux h SER 27 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2gux h SER 27 CO 0.00 0.00 -0.57 -0.31 -0.87 0.00 0.00 176.83 175.08 2gux s TYR 28 N -3.13 2.20 -0.27 4.77 1.51 -1.26 -1.93 117.35 119.24 2gux s TYR 28 Ca 0.10 -0.84 -0.26 0.00 -1.01 0.00 0.00 57.07 55.06 2gux s TYR 28 Cb 0.11 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 2gux s TYR 28 CO 0.62 0.25 0.88 -0.51 -1.11 0.00 0.00 175.55 175.69 2gux s LEU 29 N -3.70 4.06 0.02 -1.29 1.02 -0.30 -4.50 118.68 113.99 2gux s LEU 29 Ca 0.27 0.99 -0.17 0.00 0.02 0.00 0.00 54.13 55.24 2gux s LEU 29 Cb 0.07 -3.26 -0.34 0.00 0.02 0.00 0.00 46.19 42.69 2gux s LEU 29 CO 0.14 -0.61 1.00 0.44 0.02 0.00 0.00 176.35 177.33 2gux h ASP 30 N 7.81 0.78 -5.00 2.29 5.19 -1.03 -0.04 116.42 126.43 2gux h ASP 30 Ca -0.22 -0.91 -0.05 0.00 -0.62 0.00 0.00 57.03 55.23 2gux h ASP 30 Cb 1.08 -0.25 -0.16 0.00 0.18 0.00 0.00 39.33 40.18 2gux h ASP 30 CO 0.91 1.63 0.18 0.00 -3.12 0.00 0.00 179.24 178.84 2gux s ALA 31 N -2.64 -1.66 0.09 3.45 0.00 -1.04 -1.38 121.76 118.58 2gux s ALA 31 Ca -0.10 0.96 0.10 0.00 0.00 0.00 0.00 51.96 52.92 2gux s ALA 31 Cb 0.04 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 2gux s ALA 31 CO 0.92 -0.52 -0.24 -1.50 0.00 0.00 0.00 175.76 174.42 2gux s ILE 32 N -2.17 2.38 -0.17 0.00 2.07 -0.09 -1.23 121.20 121.99 2gux s ILE 32 Ca -0.06 -1.51 0.00 0.00 -1.41 0.00 0.00 60.65 57.67 2gux s ILE 32 Cb -0.00 -2.01 0.03 0.00 0.13 0.00 0.00 42.46 40.61 2gux s ILE 32 CO 0.01 0.22 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.52 2gux s ILE 33 N -0.97 1.54 -0.23 2.00 1.09 0.88 -0.08 121.20 125.45 2gux s ILE 33 Ca 0.14 -0.80 -0.00 0.00 -1.10 0.00 0.00 60.65 58.88 2gux s ILE 33 Cb -0.10 -1.56 0.03 0.00 -1.06 0.00 0.00 42.46 39.76 2gux s ILE 33 CO 0.05 0.28 -0.11 -0.63 -0.10 0.00 0.00 174.94 174.43 2gux s ILE 34 N 1.46 2.53 -1.39 2.92 1.01 -0.35 -1.40 121.20 125.97 2gux s ILE 34 Ca 0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 2gux s ILE 34 Cb -0.15 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.11 2gux s ILE 34 CO -0.09 0.29 0.31 0.47 0.00 0.00 0.00 174.94 175.92 2gux n ASP 35 N 4.62 -4.88 0.00 3.58 9.92 0.22 -1.34 116.55 128.68 2gux n ASP 35 Ca -0.18 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.94 2gux n ASP 35 Cb 0.47 -4.03 0.00 0.00 -0.64 0.00 0.00 41.12 36.93 2gux n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gux n GLY 36 N -1.16 1.48 3.66 0.44 0.00 -1.26 -4.99 105.19 103.36 2gux n GLY 36 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2gux n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gux s VAL 37 N -2.60 4.98 0.08 1.61 1.01 -0.45 -5.03 120.40 120.00 2gux s VAL 37 Ca 0.00 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 2gux s VAL 37 Cb 0.00 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2gux s VAL 37 CO 0.00 0.09 1.07 -2.28 0.00 0.00 0.00 175.10 173.97 2gux s HIS 38 N 1.97 3.61 -0.33 5.22 2.46 -1.26 -1.22 115.29 125.74 2gux s HIS 38 Ca 0.32 1.58 -0.01 0.00 0.47 0.00 0.00 55.06 57.43 2gux s HIS 38 Cb -0.16 -3.23 0.11 0.00 -0.13 0.00 0.00 32.58 29.17 2gux s HIS 38 CO 0.11 -0.46 0.13 -1.01 -2.47 0.00 0.00 174.74 171.04 2gux s HIS 39 N 0.54 1.56 -2.87 3.88 3.76 0.89 -4.98 115.29 118.07 2gux s HIS 39 Ca 0.52 -1.77 0.00 0.00 -0.15 0.00 0.00 55.06 53.66 2gux s HIS 39 Cb -0.26 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 31.82 2gux s HIS 39 CO 0.30 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.75 2gux n GLY 40 N 4.61 0.79 1.44 -2.22 0.00 -1.26 -0.91 105.19 107.65 2gux n GLY 40 Ca 0.00 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 2gux n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gux n GLY 41 N 0.00 1.03 0.76 -0.02 0.00 -0.48 -4.81 105.19 101.68 2gux n GLY 41 Ca 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 44.06 2gux n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gux n SER 42 N -2.91 3.43 -4.54 1.61 3.41 -1.26 -4.53 113.62 108.82 2gux n SER 42 Ca 0.06 -2.55 -0.29 0.00 -0.26 0.00 0.00 58.87 55.83 2gux n SER 42 Cb 0.22 -0.40 0.14 0.00 -0.26 0.00 0.00 64.21 63.92 2gux n SER 42 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gux s GLY 43 N -1.51 1.65 0.00 5.00 0.00 -1.26 -4.97 107.32 106.23 2gux s GLY 43 Ca 0.33 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.23 2gux s GLY 43 CO 0.12 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.63 2gux n GLY 44 N -3.02 -0.24 3.35 0.20 0.00 -1.26 -4.42 105.19 99.80 2gux n GLY 44 Ca 0.10 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 2gux n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gux s ASN 45 N -4.00 3.62 -0.12 1.61 -0.87 -0.08 -4.74 114.94 110.36 2gux s ASN 45 Ca 0.00 -0.37 -0.30 0.00 -1.57 0.00 0.00 52.86 50.62 2gux s ASN 45 Cb 0.00 -1.12 -0.02 0.00 -0.02 0.00 0.00 41.25 40.09 2gux s ASN 45 CO 0.00 0.24 1.18 -0.22 -2.57 0.00 0.00 177.10 175.73 2gux s LEU 46 N -0.13 4.22 0.83 0.60 2.96 -1.26 -1.26 118.68 124.65 2gux s LEU 46 Ca -0.03 1.68 -0.11 0.00 -0.22 0.00 0.00 54.13 55.45 2gux s LEU 46 Cb -0.14 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.09 2gux s LEU 46 CO 0.04 -0.63 1.10 -0.94 -1.32 0.00 0.00 176.35 174.59 2gux s SER 47 N 1.55 4.13 0.71 3.68 1.04 -0.13 -5.01 113.70 119.67 2gux s SER 47 Ca 0.53 1.37 -0.16 0.00 0.48 0.00 0.00 55.95 58.17 2gux s SER 47 Cb -0.22 -2.09 0.02 0.00 0.10 0.00 0.00 66.02 63.84 2gux s SER 47 CO 0.17 -2.21 1.27 -2.84 0.98 0.00 0.00 173.24 170.61 2gux s PRO 48 N -5.08 2.20 -0.08 4.02 0.02 -1.26 -4.70 135.00 130.13 2gux s PRO 48 Ca 0.62 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 2gux s PRO 48 Cb -0.16 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 2gux s PRO 48 CO 0.55 -1.84 1.01 0.99 -0.33 0.00 0.00 177.00 177.39 2gux s THR 49 N -1.65 4.77 -0.35 0.99 2.01 -1.26 -4.58 115.64 115.57 2gux s THR 49 Ca 0.80 2.02 -0.18 0.00 0.31 0.00 0.00 61.69 64.63 2gux s THR 49 Cb -0.35 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 67.86 2gux s THR 49 CO 0.44 0.04 0.52 0.12 -0.69 0.00 0.00 174.62 175.05 2gux s PHE 50 N 1.78 3.18 -0.23 4.92 2.19 0.53 -4.96 117.98 125.39 2gux s PHE 50 Ca 0.50 0.22 -0.07 0.00 0.33 0.00 0.00 56.93 57.91 2gux s PHE 50 Cb -0.19 -2.93 -0.03 0.00 -1.31 0.00 0.00 43.02 38.56 2gux s PHE 50 CO 0.21 -0.53 0.05 0.99 1.83 0.00 0.00 175.22 177.76 2gux s THR 51 N 2.41 4.24 0.06 0.12 2.01 -1.26 -1.62 115.64 121.61 2gux s THR 51 Ca 0.19 -0.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.68 2gux s THR 51 Cb -0.15 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 2gux s THR 51 CO 0.13 0.37 1.33 -0.36 -0.69 0.00 0.00 174.62 175.41 2gux s PHE 52 N 1.34 3.20 0.93 4.92 0.40 -0.77 -5.02 117.98 122.99 2gux s PHE 52 Ca 0.05 1.03 -0.11 0.00 -0.60 0.00 0.00 56.93 57.30 2gux s PHE 52 Cb -0.15 -3.59 0.12 0.00 0.51 0.00 0.00 43.02 39.91 2gux s PHE 52 CO 0.03 -2.04 0.91 0.41 0.70 0.00 0.00 175.22 175.23 2gux n GLY 53 N 3.45 -0.92 3.68 4.36 0.00 -1.26 -4.92 105.19 109.58 2gux n GLY 53 Ca 0.11 -0.73 -0.46 0.00 0.00 0.00 0.00 46.02 44.94 2gux n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2gux n SER 54 N -3.35 3.49 0.00 1.61 2.88 -1.26 -1.63 113.62 115.36 2gux n SER 54 Ca 0.10 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2gux n SER 54 Cb 0.53 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 2gux n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gux n GLY 55 N 4.01 0.47 3.73 0.46 0.00 -1.26 -5.01 105.19 107.58 2gux n GLY 55 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2gux n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gux s GLU 56 N -0.36 3.43 0.12 1.61 2.12 -0.64 -4.98 118.70 119.99 2gux s GLU 56 Ca 0.00 -0.30 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 2gux s GLU 56 Cb 0.00 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.37 2gux s GLU 56 CO 0.00 0.60 0.35 1.52 -0.54 0.00 0.00 175.26 177.19 2gux s TYR 57 N -0.57 -0.11 -0.01 5.30 -0.85 -1.26 -4.63 117.35 115.22 2gux s TYR 57 Ca 0.11 -0.23 -0.30 0.00 -0.52 0.00 0.00 57.07 56.12 2gux s TYR 57 Cb -0.12 0.18 -0.06 0.00 0.38 0.00 0.00 41.96 42.35 2gux s TYR 57 CO 0.02 -0.67 1.48 0.42 -1.52 0.00 0.00 175.55 175.28 2gux s ILE 58 N -3.82 3.61 -0.39 -3.49 1.01 -1.26 -1.74 121.20 115.12 2gux s ILE 58 Ca 0.04 0.96 0.13 0.00 0.00 0.00 0.00 60.65 61.77 2gux s ILE 58 Cb 0.03 -3.61 -0.17 0.00 0.01 0.00 0.00 42.46 38.71 2gux s ILE 58 CO -0.12 -0.02 0.45 -1.54 0.00 0.00 0.00 174.94 173.72 2gux n SER 59 N 5.79 1.11 -3.93 3.58 3.41 0.30 -1.57 113.62 122.30 2gux n SER 59 Ca 0.14 -0.50 -0.09 0.00 -0.26 0.00 0.00 58.87 58.16 2gux n SER 59 Cb 0.43 1.23 -0.05 0.00 -0.26 0.00 0.00 64.21 65.56 2gux n SER 59 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2gux s ASN 60 N -2.72 -0.13 -0.30 4.04 2.47 -0.98 -1.32 114.94 116.00 2gux s ASN 60 Ca 0.01 -0.81 -0.13 0.00 0.42 0.00 0.00 52.86 52.36 2gux s ASN 60 Cb 0.09 0.59 0.13 0.00 -1.45 0.00 0.00 41.25 40.61 2gux s ASN 60 CO 0.54 -1.13 0.77 -0.89 -3.72 0.00 0.00 177.10 172.67 2gux s THR 62 N -3.98 -0.61 -0.13 -5.21 2.01 0.20 -0.12 115.64 107.81 2gux s THR 62 Ca 0.18 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.21 2gux s THR 62 Cb -0.01 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.51 2gux s THR 62 CO 0.06 0.00 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.14 2gux s ILE 63 N 2.42 2.09 -0.20 1.82 1.01 -0.45 -0.41 121.20 127.48 2gux s ILE 63 Ca -0.06 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.51 2gux s ILE 63 Cb -0.09 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2gux s ILE 63 CO -0.18 0.55 0.12 -0.60 0.00 0.00 0.00 174.94 174.83 2gux s ARG 64 N 0.68 4.15 0.16 2.79 3.52 -0.32 -0.57 118.95 129.36 2gux s ARG 64 Ca -0.10 -0.24 -0.15 0.00 -0.13 0.00 0.00 55.73 55.10 2gux s ARG 64 Cb -0.16 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2gux s ARG 64 CO 0.01 0.27 0.42 -1.54 -0.81 0.00 0.00 175.30 173.66 2gux s SER 65 N 0.43 -0.19 0.00 -2.12 1.04 -0.36 0.52 113.70 113.03 2gux s SER 65 Ca 0.07 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2gux s SER 65 Cb -0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2gux s SER 65 CO -0.01 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2gux n GLY 66 N -0.27 2.15 0.04 7.32 0.00 -1.26 -1.41 105.19 111.76 2gux n GLY 66 Ca -0.12 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.89 2gux n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gux n ASP 67 N 0.00 0.39 -4.35 1.61 8.00 -1.26 -4.88 116.55 116.06 2gux n ASP 67 Ca 0.00 0.37 -0.18 0.00 0.71 0.00 0.00 54.79 55.69 2gux n ASP 67 Cb 0.00 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 2gux n ASP 67 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2gux s TYR 68 N -3.05 1.64 -0.23 1.24 2.02 -1.25 -4.74 117.35 112.98 2gux s TYR 68 Ca 0.12 -0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 55.64 2gux s TYR 68 Cb 0.16 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.77 2gux s TYR 68 CO 0.60 0.02 1.11 0.42 -1.57 0.00 0.00 175.55 176.13 2gux s ILE 69 N -3.34 4.53 -0.20 2.71 -1.09 -0.33 -4.36 121.20 119.11 2gux s ILE 69 Ca 0.29 1.83 0.17 0.00 -2.23 0.00 0.00 60.65 60.70 2gux s ILE 69 Cb 0.05 -4.24 -0.24 0.00 -1.58 0.00 0.00 42.46 36.45 2gux s ILE 69 CO 0.09 -0.23 0.06 0.47 -1.23 0.00 0.00 174.94 174.10 2gux n ASP 70 N 6.54 0.17 -3.66 3.58 9.92 0.18 -1.15 116.55 132.13 2gux n ASP 70 Ca 0.13 -0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.24 2gux n ASP 70 Cb 0.46 0.87 -0.08 0.00 -0.64 0.00 0.00 41.12 41.73 2gux n ASP 70 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2gux s ASN 71 N -5.58 -0.50 -0.03 -2.24 3.84 -0.60 -0.77 114.94 109.05 2gux s ASN 71 Ca -0.12 0.75 0.02 0.00 0.21 0.00 0.00 52.86 53.71 2gux s ASN 71 Cb 0.06 0.76 0.01 0.00 -0.55 0.00 0.00 41.25 41.53 2gux s ASN 71 CO 0.81 -0.37 -0.06 -0.63 -2.79 0.00 0.00 177.10 174.06 2gux s ILE 72 N -0.52 0.61 0.06 -5.21 1.01 -0.53 -1.17 121.20 115.44 2gux s ILE 72 Ca -0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 2gux s ILE 72 Cb -0.03 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.86 2gux s ILE 72 CO 0.04 0.22 0.24 -0.94 0.00 0.00 0.00 174.94 174.50 2gux s SER 73 N 0.54 -0.01 0.19 3.58 1.04 0.46 -0.94 113.70 118.56 2gux s SER 73 Ca -0.08 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2gux s SER 73 Cb -0.11 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2gux s SER 73 CO 0.00 -0.63 0.39 0.72 0.98 0.00 0.00 173.24 174.71 2gux s PHE 74 N -2.91 0.27 0.08 5.02 -0.12 -0.18 -0.63 117.98 119.50 2gux s PHE 74 Ca -0.02 -0.63 0.05 0.00 -0.05 0.00 0.00 56.93 56.28 2gux s PHE 74 Cb 0.00 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 2gux s PHE 74 CO -0.06 -0.84 -0.13 -2.00 -0.05 0.00 0.00 175.22 172.14 2gux s GLU 75 N -3.96 0.81 0.38 1.99 2.12 0.83 -0.73 118.70 120.15 2gux s GLU 75 Ca 0.17 -0.98 0.07 0.00 0.36 0.00 0.00 54.97 54.59 2gux s GLU 75 Cb 0.01 -0.74 -0.00 0.00 0.26 0.00 0.00 34.13 33.66 2gux s GLU 75 CO 0.02 0.15 0.49 0.95 -0.54 0.00 0.00 175.26 176.33 2gux s THR 76 N -1.51 3.35 0.00 -1.70 -4.23 0.24 -0.54 115.64 111.25 2gux s THR 76 Ca -0.01 -1.08 -0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2gux s THR 76 Cb -0.09 -3.15 -0.00 0.00 1.34 0.00 0.00 72.50 70.60 2gux s THR 76 CO 0.02 -0.07 0.51 -0.46 -0.54 0.00 0.00 174.62 174.08 2gux n ASN 77 N -1.70 1.30 -0.01 3.99 6.94 -0.71 -4.13 115.26 120.95 2gux n ASN 77 Ca 0.04 -1.35 0.00 0.00 -0.02 0.00 0.00 54.58 53.25 2gux n ASN 77 Cb 0.59 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 2gux n ASN 77 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2gux n GLY 79 N 1.91 -2.55 3.84 4.83 0.00 -1.26 -5.07 105.19 106.89 2gux n GLY 79 Ca 0.00 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2gux n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gux s ARG 80 N -0.07 3.99 0.04 1.61 0.52 -1.26 -5.08 118.95 118.70 2gux s ARG 80 Ca 0.00 0.49 0.05 0.00 -0.52 0.00 0.00 55.73 55.75 2gux s ARG 80 Cb 0.00 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 2gux s ARG 80 CO 0.00 0.60 -0.09 1.03 0.02 0.00 0.00 175.30 176.86 2gux s ARG 81 N -1.46 2.38 -0.05 3.54 0.52 -1.26 -0.59 118.95 122.02 2gux s ARG 81 Ca 0.31 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 2gux s ARG 81 Cb -0.17 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2gux s ARG 81 CO 0.17 0.57 -0.15 0.12 0.02 0.00 0.00 175.30 176.03 2gux s PHE 82 N -1.04 1.61 0.00 -0.53 5.36 0.09 -4.99 117.98 118.48 2gux s PHE 82 Ca 0.18 -0.53 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 2gux s PHE 82 Cb -0.11 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 2gux s PHE 82 CO 0.09 -0.22 0.00 0.41 -1.46 0.00 0.00 175.22 174.04 2gux n GLY 83 N 3.43 -1.30 3.77 13.12 0.00 -1.26 -1.01 105.19 121.94 2gux n GLY 83 Ca -0.20 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 2gux n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gux s PRO 84 N 0.00 4.24 -0.07 1.61 0.04 -1.26 -4.87 135.00 134.70 2gux s PRO 84 Ca 0.00 2.37 0.05 0.00 0.04 0.00 0.00 61.00 63.46 2gux s PRO 84 Cb 0.00 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.49 2gux s PRO 84 CO 0.00 -0.38 -0.22 0.71 0.04 0.00 0.00 177.00 177.15 2gux s TYR 85 N -0.79 2.24 -1.02 0.56 2.02 -0.12 -4.97 117.35 115.27 2gux s TYR 85 Ca 0.53 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 2gux s TYR 85 Cb -0.43 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2gux s TYR 85 CO 0.53 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 2gux n GLY 86 N 3.20 0.62 0.00 0.71 0.00 -1.25 -1.45 105.19 107.01 2gux n GLY 86 Ca -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.65 2gux n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gux n GLY 87 N 0.00 5.51 0.29 -0.02 0.00 0.05 -4.68 105.19 106.35 2gux n GLY 87 Ca 0.00 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 43.95 2gux n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gux n SER 88 N -0.57 1.82 -4.84 1.61 3.41 -1.26 -4.41 113.62 109.37 2gux n SER 88 Ca 0.00 -1.47 -0.32 0.00 -0.26 0.00 0.00 58.87 56.81 2gux n SER 88 Cb 0.00 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 2gux n SER 88 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gux s GLY 89 N -0.67 2.29 0.00 5.00 0.00 -1.26 -4.98 107.32 107.69 2gux s GLY 89 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.96 2gux s GLY 89 CO 0.09 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.17 2gux n GLY 90 N -0.64 0.66 3.72 0.20 0.00 -1.26 -4.47 105.19 103.39 2gux n GLY 90 Ca 0.05 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 2gux n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gux s SER 91 N 0.00 6.69 -0.01 1.61 0.01 -0.50 -4.75 113.70 116.75 2gux s SER 91 Ca 0.00 0.83 -0.23 0.00 1.31 0.00 0.00 55.95 57.85 2gux s SER 91 Cb 0.00 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 2gux s SER 91 CO 0.00 -0.02 0.71 0.00 0.41 0.00 0.00 173.24 174.34 2gux s ALA 92 N 0.70 3.38 0.01 1.44 0.00 -1.26 -1.22 121.76 124.80 2gux s ALA 92 Ca 0.27 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.43 2gux s ALA 92 Cb -0.15 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 2gux s ALA 92 CO 0.11 0.01 -0.10 -0.80 0.00 0.00 0.00 175.76 174.98 2gux s ASN 93 N 0.28 1.11 -0.07 0.00 0.01 0.26 -4.98 114.94 111.56 2gux s ASN 93 Ca 0.37 -0.28 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 2gux s ASN 93 Cb -0.19 -0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.38 2gux s ASN 93 CO 0.20 0.04 -0.25 -0.89 -1.51 0.00 0.00 177.10 174.70 2gux s THR 94 N -0.51 2.07 -0.24 1.60 2.01 -1.26 -1.34 115.64 117.97 2gux s THR 94 Ca 0.01 -1.05 -0.14 0.00 0.31 0.00 0.00 61.69 60.82 2gux s THR 94 Cb -0.05 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2gux s THR 94 CO 0.00 0.57 0.30 -0.76 -0.69 0.00 0.00 174.62 174.04 2gux s LEU 95 N -0.06 4.10 -0.05 4.42 1.43 -1.26 -5.01 118.68 122.25 2gux s LEU 95 Ca -0.07 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.38 2gux s LEU 95 Cb -0.15 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 2gux s LEU 95 CO 0.05 -0.06 -0.22 -0.44 0.23 0.00 0.00 176.35 175.91 2gux s SER 96 N 1.26 3.32 -1.16 2.29 0.01 -1.26 -4.23 113.70 113.92 2gux s SER 96 Ca 0.13 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 56.92 2gux s SER 96 Cb -0.15 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 2gux s SER 96 CO 0.08 0.29 0.86 0.59 0.41 0.00 0.00 173.24 175.47 2gux n ASN 97 N 2.67 -4.11 -4.65 2.44 3.02 -0.59 -4.78 115.26 109.27 2gux n ASN 97 Ca -0.17 -0.77 -0.31 0.00 -0.03 0.00 0.00 54.58 53.30 2gux n ASN 97 Cb 0.52 -4.61 -0.08 0.00 -0.61 0.00 0.00 39.78 34.99 2gux n ASN 97 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2gux s VAL 98 N -3.46 1.23 -0.21 2.41 -7.23 -0.43 -1.03 120.40 111.68 2gux s VAL 98 Ca 0.25 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2gux s VAL 98 Cb -0.05 -2.35 0.06 0.00 0.56 0.00 0.00 36.38 34.60 2gux s VAL 98 CO 0.78 0.00 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.80 2gux s LYS 99 N -3.83 1.19 0.06 4.82 2.20 -0.01 -4.02 119.74 120.15 2gux s LYS 99 Ca 0.14 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 2gux s LYS 99 Cb 0.03 -2.31 -0.05 0.00 -1.51 0.00 0.00 37.83 33.99 2gux s LYS 99 CO 0.07 -0.60 1.15 0.08 -0.36 0.00 0.00 175.35 175.70 2gux s VAL 100 N 1.62 4.17 -0.24 4.02 1.01 -0.61 -1.08 120.40 129.28 2gux s VAL 100 Ca -0.03 1.57 -0.06 0.00 0.00 0.00 0.00 61.98 63.46 2gux s VAL 100 Cb -0.18 -4.01 -0.17 0.00 0.00 0.00 0.00 36.38 32.03 2gux s VAL 100 CO -0.07 0.13 -0.16 -0.38 0.00 0.00 0.00 175.10 174.62 2gux n ILE 101 N 3.83 1.55 -3.73 2.22 2.08 -0.14 -4.61 119.36 120.55 2gux n ILE 101 Ca 0.08 -0.48 -0.14 0.00 0.56 0.00 0.00 62.75 62.77 2gux n ILE 101 Cb 0.47 -1.66 -0.09 0.00 -0.75 0.00 0.00 39.64 37.62 2gux n ILE 101 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2gux s GLN 102 N -2.51 0.67 -0.24 0.38 2.00 -1.03 -4.61 119.66 114.32 2gux s GLN 102 Ca -0.34 -0.02 0.02 0.00 -2.00 0.00 0.00 55.36 53.01 2gux s GLN 102 Cb 0.10 0.30 0.06 0.00 0.80 0.00 0.00 33.01 34.28 2gux s GLN 102 CO 0.59 -0.18 -0.08 0.42 -0.50 0.00 0.00 175.29 175.55 2gux s ILE 103 N -1.05 1.78 0.54 -2.34 1.01 -1.26 -1.00 121.20 118.89 2gux s ILE 103 Ca -0.11 -1.38 0.08 0.00 0.00 0.00 0.00 60.65 59.24 2gux s ILE 103 Cb -0.04 -1.98 0.06 0.00 0.01 0.00 0.00 42.46 40.50 2gux s ILE 103 CO 0.04 -0.07 0.63 0.20 0.00 0.00 0.00 174.94 175.74 2gux s ASN 104 N 1.28 5.00 0.00 3.58 0.01 -0.32 -4.96 114.94 119.52 2gux s ASN 104 Ca -0.07 -0.93 0.00 0.00 -0.71 0.00 0.00 52.86 51.15 2gux s ASN 104 Cb -0.19 0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.68 2gux s ASN 104 CO -0.06 -1.18 0.00 0.61 -1.51 0.00 0.00 177.10 174.96 2gux n GLY 105 N -2.03 -0.55 3.10 0.66 0.00 -1.26 0.02 105.19 105.14 2gux n GLY 105 Ca 0.09 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 2gux n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gux s SER 106 N -4.00 0.01 -0.02 1.61 1.04 -0.60 -4.91 113.70 106.83 2gux s SER 106 Ca 0.00 -0.17 -0.24 0.00 0.48 0.00 0.00 55.95 56.03 2gux s SER 106 Cb 0.00 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.38 2gux s SER 106 CO 0.00 -0.34 0.51 0.00 0.98 0.00 0.00 173.24 174.39 2gux s ALA 107 N -1.27 -1.32 0.00 5.32 0.00 -1.26 -1.39 121.76 121.84 2gux s ALA 107 Ca -0.14 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2gux s ALA 107 Cb -0.07 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2gux s ALA 107 CO 0.01 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2gux n GLY 108 N 0.99 1.60 0.19 0.00 0.00 -1.26 -4.81 105.19 101.89 2gux n GLY 108 Ca -0.20 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.83 2gux n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gux h ASP 109 N 0.00 0.00 -3.55 1.61 3.32 -1.89 -3.18 116.42 112.73 2gux h ASP 109 Ca 0.00 -0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2gux h ASP 109 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2gux h ASP 109 CO 0.00 0.00 -0.58 -0.31 -1.72 0.00 0.00 179.24 176.63 2gux s TYR 110 N -3.23 1.81 -0.58 4.55 1.51 -1.25 -1.97 117.35 118.19 2gux s TYR 110 Ca 0.06 -1.11 -0.23 0.00 -1.01 0.00 0.00 57.07 54.78 2gux s TYR 110 Cb 0.06 -1.15 0.06 0.00 -0.11 0.00 0.00 41.96 40.82 2gux s TYR 110 CO 0.69 -0.17 0.89 -1.17 -1.11 0.00 0.00 175.55 174.68 2gux s LEU 111 N -3.48 4.36 -0.01 -1.29 2.96 -0.03 -4.44 118.68 116.75 2gux s LEU 111 Ca 0.33 -0.68 -0.22 0.00 -0.22 0.00 0.00 54.13 53.35 2gux s LEU 111 Cb 0.07 -2.62 -0.22 0.00 0.50 0.00 0.00 46.19 43.92 2gux s LEU 111 CO 0.15 -1.25 1.11 0.44 -1.32 0.00 0.00 176.35 175.48 2gux h ASP 112 N 9.35 0.39 -5.03 3.68 3.32 -1.53 -0.86 116.42 125.73 2gux h ASP 112 Ca -0.27 -0.72 -0.05 0.00 0.02 0.00 0.00 57.03 56.01 2gux h ASP 112 Cb 1.08 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 2gux h ASP 112 CO 1.10 1.05 0.05 -0.94 -1.72 0.00 0.00 179.24 178.79 2gux s SER 113 N -6.48 -0.41 0.05 6.45 1.04 -0.93 -3.58 113.70 109.85 2gux s SER 113 Ca -0.14 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.30 2gux s SER 113 Cb 0.03 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 2gux s SER 113 CO 0.78 -0.84 -0.17 -0.76 0.98 0.00 0.00 173.24 173.22 2gux s LEU 114 N -2.49 2.20 -0.23 2.42 1.43 -1.26 -1.55 118.68 119.19 2gux s LEU 114 Ca -0.01 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2gux s LEU 114 Cb 0.00 -0.77 0.06 0.00 0.03 0.00 0.00 46.19 45.51 2gux s LEU 114 CO -0.09 0.07 -0.07 -0.62 0.23 0.00 0.00 176.35 175.88 2gux s ASP 115 N -1.33 3.77 -0.21 2.29 -1.08 0.10 -4.89 116.67 115.31 2gux s ASP 115 Ca 0.04 -1.12 -0.07 0.00 -0.52 0.00 0.00 52.55 50.88 2gux s ASP 115 Cb -0.09 -1.21 -0.04 0.00 -1.46 0.00 0.00 42.92 40.13 2gux s ASP 115 CO 0.02 -0.21 0.06 -0.63 0.52 0.00 0.00 175.17 174.93 2gux s ILE 116 N 1.38 4.53 -0.14 4.11 -1.09 -1.26 -1.17 121.20 127.55 2gux s ILE 116 Ca -0.05 -0.11 -0.04 0.00 -2.23 0.00 0.00 60.65 58.21 2gux s ILE 116 Cb -0.18 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2gux s ILE 116 CO -0.07 0.40 0.01 -0.31 -1.23 0.00 0.00 174.94 173.75 2gux s TYR 117 N 0.94 3.15 -0.01 3.97 1.51 -0.17 -4.99 117.35 121.75 2gux s TYR 117 Ca 0.04 -0.03 -0.28 0.00 -1.01 0.00 0.00 57.07 55.78 2gux s TYR 117 Cb -0.14 -1.95 0.07 0.00 -0.11 0.00 0.00 41.96 39.83 2gux s TYR 117 CO 0.03 0.18 0.64 1.52 -1.11 0.00 0.00 175.55 176.80 2gux s TYR 118 N 0.00 -0.60 0.15 2.71 1.13 -1.26 -0.97 117.35 118.51 2gux s TYR 118 Ca 0.03 0.92 -0.22 0.00 -1.41 0.00 0.00 57.07 56.38 2gux s TYR 118 Cb -0.13 0.42 -0.08 0.00 -1.10 0.00 0.00 41.96 41.07 2gux s TYR 118 CO 0.02 -0.64 0.70 -1.21 -2.51 0.00 0.00 175.55 171.91 2gux s GLU 119 N -1.70 4.40 -0.29 -3.49 8.01 -0.24 -4.92 118.70 120.46 2gux s GLU 119 Ca -0.09 0.98 -0.07 0.00 0.01 0.00 0.00 54.97 55.80 2gux s GLU 119 Cb -0.00 -3.19 0.00 0.00 -4.31 0.00 0.00 34.13 26.63 2gux s GLU 119 CO 0.05 0.57 0.09 -1.14 0.01 0.00 0.00 175.26 174.84 2gux s GLN 120 N -1.27 3.16 0.00 1.61 2.00 -1.26 -0.83 119.66 123.07 2gux s GLN 120 Ca 0.35 -0.81 0.28 0.00 -2.00 0.00 0.00 55.36 53.18 2gux s GLN 120 Cb -0.21 -3.39 1.11 0.00 0.80 0.00 0.00 33.01 31.31 2gux s GLN 120 CO 0.23 -0.42 1.78 0.66 -0.50 0.00 0.00 175.29 177.04