#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lud s ALA 2 N 0.00 0.80 -0.14 2.41 0.00 0.12 0.12 121.76 125.08 1lud s ALA 2 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 1lud s ALA 2 Cb 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 1lud s ALA 2 CO 0.00 -0.34 -0.03 -0.06 0.00 0.00 0.00 175.76 175.33 1lud s PHE 3 N -3.81 3.05 -0.32 0.00 0.08 0.14 0.12 117.98 117.23 1lud s PHE 3 Ca 0.13 -0.17 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1lud s PHE 3 Cb 0.07 -1.91 0.11 0.00 -0.57 0.00 0.00 43.02 40.71 1lud s PHE 3 CO -0.05 0.09 0.13 -1.17 -0.10 0.00 0.00 175.22 174.12 1lud s LEU 4 N 0.05 1.75 0.33 -0.37 2.96 -0.97 0.16 118.68 122.59 1lud s LEU 4 Ca 0.01 -1.72 0.06 0.00 -0.22 0.00 0.00 54.13 52.25 1lud s LEU 4 Cb -0.13 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 1lud s LEU 4 CO 0.03 -0.39 0.24 -1.66 -1.32 0.00 0.00 176.35 173.24 1lud s TRP 5 N 1.54 1.71 -0.05 5.38 -2.14 -0.35 -4.61 118.94 120.42 1lud s TRP 5 Ca 0.11 -1.57 0.01 0.00 2.66 0.00 0.00 56.10 57.31 1lud s TRP 5 Cb -0.18 -0.79 0.02 0.00 -3.10 0.00 0.00 33.47 29.42 1lud s TRP 5 CO -0.23 -0.74 -0.04 0.00 -2.66 0.00 0.00 176.95 173.28 1lud s ALA 6 N -3.46 0.73 0.11 2.67 0.00 -1.26 -2.24 121.76 118.31 1lud s ALA 6 Ca 0.37 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1lud s ALA 6 Cb 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1lud s ALA 6 CO 0.24 -0.09 -0.08 1.14 0.00 0.00 0.00 175.76 176.97 1lud s GLN 7 N 1.09 0.90 0.00 0.00 -2.07 0.44 -4.48 119.66 115.55 1lud s GLN 7 Ca -0.08 -1.34 0.00 0.00 -1.82 0.00 0.00 55.36 52.12 1lud s GLN 7 Cb -0.14 -0.38 0.00 0.00 -1.09 0.00 0.00 33.01 31.40 1lud s GLN 7 CO -0.01 0.02 0.00 -0.40 -1.32 0.00 0.00 175.29 173.59 1lud n ASP 8 N 0.01 0.00 -0.30 12.60 5.68 -1.21 -1.81 116.55 131.51 1lud n ASP 8 Ca -0.12 -0.85 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 1lud n ASP 8 Cb 0.60 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.71 1lud n ASP 8 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1lud h ARG 9 N 0.00 0.94 -0.09 0.11 -0.00 -1.35 -1.99 114.38 111.99 1lud h ARG 9 Ca 0.00 -0.06 -0.15 0.00 -0.00 0.00 0.00 59.98 59.77 1lud h ARG 9 Cb 0.00 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.97 29.75 1lud h ARG 9 CO 0.00 0.62 -0.59 -0.44 -0.00 0.00 0.00 179.97 179.56 1lud h ASP 10 N 0.97 0.35 0.00 0.08 3.32 -1.90 -3.48 116.42 115.76 1lud h ASP 10 Ca 0.36 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1lud h ASP 10 Cb 0.14 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1lud h ASP 10 CO -0.16 0.87 0.00 0.61 -1.72 0.00 0.00 179.24 178.83 1lud n GLY 11 N 0.27 1.00 3.92 2.75 0.00 -0.75 -5.09 105.19 107.29 1lud n GLY 11 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1lud n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lud s LEU 12 N 0.00 4.15 0.19 0.99 2.96 -1.26 -3.63 118.68 122.08 1lud s LEU 12 Ca 0.00 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1lud s LEU 12 Cb 0.00 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.41 1lud s LEU 12 CO 0.00 -0.12 0.00 2.30 -1.32 0.00 0.00 176.35 177.21 1lud n ILE 13 N -0.92 0.20 -2.77 6.68 -5.35 -0.97 -3.30 119.36 112.93 1lud n ILE 13 Ca -0.04 0.07 -0.41 0.00 -0.27 0.00 0.00 62.75 62.10 1lud n ILE 13 Cb 0.54 -0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 37.79 1lud n ILE 13 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1lud s GLY 14 N -4.53 3.00 -0.42 3.28 0.00 -1.10 -4.70 107.32 102.85 1lud s GLY 14 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.30 1lud s GLY 14 CO 0.00 1.34 0.36 1.17 0.00 0.00 0.00 173.10 175.97 1lud n LYS 15 N 2.49 0.29 -3.69 2.90 0.00 -1.22 -3.93 118.16 115.00 1lud n LYS 15 Ca 0.01 -3.24 -0.29 0.00 0.00 0.00 0.00 58.31 54.79 1lud n LYS 15 Cb 0.49 -1.68 0.04 0.00 0.00 0.00 0.00 35.03 33.88 1lud n LYS 15 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1lud n ASP 16 N 2.72 -4.28 0.00 3.14 8.00 -1.26 -3.48 116.55 121.39 1lud n ASP 16 Ca 0.29 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.82 1lud n ASP 16 Cb 0.48 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 1lud n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lud n GLY 17 N -1.68 2.33 0.00 0.44 0.00 -1.26 -4.87 105.19 100.15 1lud n GLY 17 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1lud n GLY 17 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1lud n HIS 18 N 0.00 -1.44 -4.21 1.61 1.44 -1.23 -5.02 115.22 106.38 1lud n HIS 18 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1lud n HIS 18 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 1lud n HIS 18 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1lud s LEU 19 N 0.00 3.49 0.08 2.39 1.43 -1.26 -3.38 118.68 121.43 1lud s LEU 19 Ca 0.00 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 1lud s LEU 19 Cb 0.00 -2.02 -0.18 0.00 0.03 0.00 0.00 46.19 44.03 1lud s LEU 19 CO 0.00 -0.02 1.26 -0.65 0.23 0.00 0.00 176.35 177.17 1lud h PRO 20 N 1.69 0.71 -6.46 1.29 0.11 -1.84 -3.45 132.00 124.05 1lud h PRO 20 Ca -0.46 -0.61 -0.69 0.00 0.11 0.00 0.00 66.00 64.35 1lud h PRO 20 Cb 1.24 0.14 -0.24 0.00 0.11 0.00 0.00 31.00 32.25 1lud h PRO 20 CO 0.61 1.22 -0.80 1.67 -0.21 0.00 0.00 178.00 180.48 1lud s TRP 21 N -3.65 2.59 -0.81 0.65 -2.14 -1.26 -5.04 118.94 109.27 1lud s TRP 21 Ca -0.11 -0.24 -0.21 0.00 2.66 0.00 0.00 56.10 58.20 1lud s TRP 21 Cb 0.07 -1.55 0.09 0.00 -3.10 0.00 0.00 33.47 28.99 1lud s TRP 21 CO 0.89 0.17 1.10 -1.58 -2.66 0.00 0.00 176.95 174.87 1lud s HIS 22 N -0.78 2.81 -0.34 1.66 5.65 -1.26 -4.96 115.29 118.07 1lud s HIS 22 Ca 0.12 -0.89 0.03 0.00 0.25 0.00 0.00 55.06 54.57 1lud s HIS 22 Cb -0.10 -4.36 0.09 0.00 -1.18 0.00 0.00 32.58 27.03 1lud s HIS 22 CO 0.02 -1.65 0.05 -1.17 -0.65 0.00 0.00 174.74 171.34 1lud s LEU 23 N 3.72 4.63 0.19 8.88 2.96 -1.26 -4.95 118.68 132.85 1lud s LEU 23 Ca 0.30 -2.02 -0.06 0.00 -0.22 0.00 0.00 54.13 52.13 1lud s LEU 23 Cb -0.10 -1.65 0.12 0.00 0.50 0.00 0.00 46.19 45.07 1lud s LEU 23 CO 0.00 -0.37 1.58 1.55 -1.32 0.00 0.00 176.35 177.79 1lud h PRO 24 N 7.69 0.81 0.00 0.98 0.14 -1.99 -2.59 132.00 137.05 1lud h PRO 24 Ca -0.08 -0.36 -0.01 0.00 0.14 0.00 0.00 66.00 65.69 1lud h PRO 24 Cb 1.03 -0.02 -0.00 0.00 0.14 0.00 0.00 31.00 32.15 1lud h PRO 24 CO 0.53 0.99 -0.06 0.22 0.14 0.00 0.00 178.00 179.82 1lud h ASP 25 N 0.69 0.00 0.01 1.44 3.58 -1.98 -2.89 116.42 117.26 1lud h ASP 25 Ca 0.08 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 1lud h ASP 25 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1lud h ASP 25 CO 0.07 0.06 -0.19 -0.78 -2.88 0.00 0.00 179.24 175.52 1lud h ASP 26 N 0.00 0.16 -0.34 2.28 3.58 -1.88 -2.87 116.42 117.35 1lud h ASP 26 Ca -0.00 -0.81 0.07 0.00 0.42 0.00 0.00 57.03 56.71 1lud h ASP 26 Cb 0.39 -0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.31 1lud h ASP 26 CO 0.01 0.95 -0.23 -0.07 -2.88 0.00 0.00 179.24 177.03 1lud h LEU 27 N -0.62 -0.75 -1.12 2.28 3.38 -1.41 0.22 115.31 117.29 1lud h LEU 27 Ca -0.03 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1lud h LEU 27 Cb 0.99 0.37 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 1lud h LEU 27 CO 0.04 -0.26 0.60 0.45 0.09 0.00 0.00 178.44 179.36 1lud h HIS 28 N -0.18 1.04 -0.43 1.13 3.86 -1.63 0.15 115.15 119.09 1lud h HIS 28 Ca 0.17 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1lud h HIS 28 Cb 0.45 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1lud h HIS 28 CO -0.43 0.47 0.06 -0.92 0.86 0.00 0.00 177.93 177.98 1lud h TYR 29 N 0.96 0.68 -0.06 2.45 3.20 -0.46 -1.01 116.97 122.73 1lud h TYR 29 Ca 0.44 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 1lud h TYR 29 Cb 0.39 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1lud h TYR 29 CO -0.00 0.61 -0.06 0.35 -1.64 0.00 0.00 178.16 177.43 1lud h PHE 30 N 0.64 0.17 0.47 -3.82 3.57 0.17 -1.96 116.94 116.18 1lud h PHE 30 Ca 0.14 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1lud h PHE 30 Cb 0.30 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1lud h PHE 30 CO 0.01 0.59 -0.23 -0.09 -2.23 0.00 0.00 178.31 176.36 1lud h ARG 31 N -0.30 -0.61 -1.12 1.11 2.43 -0.96 -2.36 114.38 112.57 1lud h ARG 31 Ca 0.01 0.04 0.32 0.00 -0.81 0.00 0.00 59.98 59.54 1lud h ARG 31 Cb 0.56 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 30.14 1lud h ARG 31 CO 0.01 -0.41 0.72 0.00 -1.51 0.00 0.00 179.97 178.78 1lud h ALA 32 N -1.65 2.37 0.00 2.80 0.00 -1.31 1.07 119.26 122.54 1lud h ALA 32 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lud h ALA 32 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1lud h ALA 32 CO 0.11 -0.85 0.00 1.96 0.00 0.00 0.00 179.25 180.46 1lud h GLN 33 N 0.29 0.00 0.00 0.00 1.08 -1.13 -3.08 115.11 112.27 1lud h GLN 33 Ca 0.67 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1lud h GLN 33 Cb 1.84 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.27 1lud h GLN 33 CO -0.35 0.00 -0.41 0.25 -0.95 0.00 0.00 178.83 177.36 1lud n THR 34 N -2.64 2.12 -2.66 -0.54 -2.24 0.36 -4.91 114.28 103.77 1lud n THR 34 Ca 0.02 -3.04 -0.43 0.00 -2.27 0.00 0.00 64.05 58.33 1lud n THR 34 Cb 0.30 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 1lud n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1lud s VAL 35 N -3.13 4.48 -0.06 2.28 -7.23 -0.79 -3.24 120.40 112.71 1lud s VAL 35 Ca 0.37 1.59 0.00 0.00 -1.81 0.00 0.00 61.98 62.13 1lud s VAL 35 Cb 0.35 -4.42 0.00 0.00 0.56 0.00 0.00 36.38 32.87 1lud s VAL 35 CO -0.05 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 1lud n GLY 36 N 4.07 0.48 3.43 2.32 0.00 -1.26 -5.02 105.19 109.21 1lud n GLY 36 Ca 0.11 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1lud n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lud s LYS 37 N -0.78 1.53 -0.03 1.61 1.02 -1.20 -4.48 119.74 117.40 1lud s LYS 37 Ca 0.00 -1.56 -0.30 0.00 0.02 0.00 0.00 55.97 54.13 1lud s LYS 37 Cb 0.00 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1lud s LYS 37 CO 0.00 0.38 1.31 0.42 -0.92 0.00 0.00 175.35 176.54 1lud s ILE 38 N -1.81 3.98 -0.28 2.17 1.01 -0.99 -3.53 121.20 121.74 1lud s ILE 38 Ca 0.22 1.33 -0.06 0.00 0.00 0.00 0.00 60.65 62.13 1lud s ILE 38 Cb -0.07 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1lud s ILE 38 CO 0.10 -0.01 0.06 -0.32 0.00 0.00 0.00 174.94 174.78 1lud s MET 39 N 2.40 3.22 -0.30 2.79 1.75 0.17 -0.52 119.30 128.81 1lud s MET 39 Ca 0.60 -0.77 -0.18 0.00 -1.25 0.00 0.00 55.69 54.09 1lud s MET 39 Cb -0.28 -3.32 -0.02 0.00 2.84 0.00 0.00 34.83 34.06 1lud s MET 39 CO 0.24 -0.37 0.53 0.08 -0.65 0.00 0.00 175.02 174.85 1lud s VAL 40 N 1.51 5.03 -0.08 10.11 1.01 0.18 0.76 120.40 138.92 1lud s VAL 40 Ca 0.04 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1lud s VAL 40 Cb -0.16 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1lud s VAL 40 CO 0.02 -0.04 -0.11 0.68 0.00 0.00 0.00 175.10 175.64 1lud s VAL 41 N 2.39 1.13 0.70 2.92 -7.23 -0.32 -0.46 120.40 119.52 1lud s VAL 41 Ca 0.21 -0.44 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 1lud s VAL 41 Cb -0.15 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.75 1lud s VAL 41 CO 0.11 0.36 1.18 -0.83 -0.31 0.00 0.00 175.10 175.61 1lud s GLY 42 N 0.94 2.33 0.65 2.32 0.00 0.74 -2.03 107.32 112.28 1lud s GLY 42 Ca -0.09 0.80 0.26 0.00 0.00 0.00 0.00 44.72 45.69 1lud s GLY 42 CO 0.00 1.19 1.80 -0.09 0.00 0.00 0.00 173.10 176.00 1lud h ARG 43 N -0.10 0.00 -0.00 2.90 1.12 -1.13 -0.28 114.38 116.89 1lud h ARG 43 Ca -0.48 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.31 1lud h ARG 43 Cb 1.28 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.25 1lud h ARG 43 CO 0.51 0.00 -0.34 0.00 -3.11 0.00 0.00 179.97 177.03 1lud h ARG 44 N 0.00 0.23 -0.06 0.20 2.47 -1.88 -2.66 114.38 112.68 1lud h ARG 44 Ca 0.05 -0.25 -0.03 0.00 -1.26 0.00 0.00 59.98 58.49 1lud h ARG 44 Cb 0.97 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1lud h ARG 44 CO -0.00 0.97 -0.09 1.15 0.56 0.00 0.00 179.97 182.56 1lud h THR 45 N -0.40 1.40 -0.79 2.04 2.02 -1.43 -2.22 112.91 113.53 1lud h THR 45 Ca -0.04 -1.34 0.15 0.00 0.77 0.00 0.00 66.41 65.95 1lud h THR 45 Cb 1.09 2.15 -0.06 0.00 -1.74 0.00 0.00 68.15 69.59 1lud h THR 45 CO 0.07 0.37 0.53 0.22 0.37 0.00 0.00 175.52 177.07 1lud h TYR 46 N -0.30 0.55 0.00 3.16 3.20 -1.39 0.75 116.97 122.94 1lud h TYR 46 Ca 0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1lud h TYR 46 Cb 0.64 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1lud h TYR 46 CO 0.11 0.20 0.00 0.93 -1.64 0.00 0.00 178.16 177.76 1lud h GLU 47 N 0.46 0.00 0.00 1.82 4.39 -1.35 -3.19 114.58 116.72 1lud h GLU 47 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1lud h GLU 47 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1lud h GLU 47 CO -0.14 0.00 -1.76 0.45 -1.16 0.00 0.00 179.01 176.40 1lud n SER 48 N -2.80 0.21 -4.36 1.42 2.88 0.17 -4.98 113.62 106.16 1lud n SER 48 Ca 0.04 0.06 -0.38 0.00 -1.33 0.00 0.00 58.87 57.26 1lud n SER 48 Cb 0.47 1.63 0.03 0.00 -0.75 0.00 0.00 64.21 65.59 1lud n SER 48 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1lud n PHE 49 N -2.34 -1.77 -0.04 0.66 3.01 0.21 -4.95 117.46 112.24 1lud n PHE 49 Ca -0.03 0.43 -0.00 0.00 1.01 0.00 0.00 57.45 58.86 1lud n PHE 49 Cb 0.56 -1.82 -0.00 0.00 -0.01 0.00 0.00 39.48 38.21 1lud n PHE 49 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lud h PRO 50 N 0.05 0.00 -3.69 -1.08 0.13 -1.91 -3.45 132.00 122.05 1lud h PRO 50 Ca -0.44 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.10 1lud h PRO 50 Cb 1.41 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.14 1lud h PRO 50 CO 0.44 0.00 -0.75 0.15 -0.23 0.00 0.00 178.00 177.61 1lud s LYS 51 N -1.43 0.81 0.15 0.86 1.02 -1.26 -5.11 119.74 114.77 1lud s LYS 51 Ca -0.01 -1.16 0.08 0.00 0.02 0.00 0.00 55.97 54.90 1lud s LYS 51 Cb 0.00 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1lud s LYS 51 CO 0.01 -0.98 -0.17 -0.98 -0.92 0.00 0.00 175.35 172.31 1lud s ARG 52 N 1.53 1.20 0.87 1.68 1.04 -1.26 -4.39 118.95 119.63 1lud s ARG 52 Ca 0.10 -1.36 -0.13 0.00 -1.04 0.00 0.00 55.73 53.30 1lud s ARG 52 Cb -0.17 -1.20 0.12 0.00 -2.04 0.00 0.00 34.95 31.65 1lud s ARG 52 CO -0.23 0.24 1.18 -1.25 -0.04 0.00 0.00 175.30 175.20 1lud s PRO 53 N -2.78 1.45 0.69 3.89 0.05 -1.26 -5.13 135.00 131.91 1lud s PRO 53 Ca 0.14 0.10 -0.11 0.00 0.05 0.00 0.00 61.00 61.17 1lud s PRO 53 Cb -0.05 -1.89 0.01 0.00 0.05 0.00 0.00 34.50 32.61 1lud s PRO 53 CO 0.05 -1.95 1.06 -0.51 0.05 0.00 0.00 177.00 175.71 1lud s LEU 54 N -5.80 3.18 -0.41 -3.56 1.43 -1.26 -4.93 118.68 107.32 1lud s LEU 54 Ca 0.64 1.67 -0.27 0.00 -1.03 0.00 0.00 54.13 55.14 1lud s LEU 54 Cb -0.11 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.56 1lud s LEU 54 CO 0.51 -1.47 2.12 -2.16 0.23 0.00 0.00 176.35 175.59 1lud s PRO 55 N -4.88 2.72 -1.18 1.29 0.05 -1.26 -3.25 135.00 128.48 1lud s PRO 55 Ca 0.59 1.40 -0.05 0.00 0.05 0.00 0.00 61.00 63.00 1lud s PRO 55 Cb -0.15 -4.41 -0.02 0.00 0.05 0.00 0.00 34.50 29.97 1lud s PRO 55 CO 0.52 -2.58 0.85 0.39 0.05 0.00 0.00 177.00 176.24 1lud n GLU 56 N 8.86 -4.09 -4.11 4.56 1.02 -1.26 -5.01 120.64 120.61 1lud n GLU 56 Ca 0.29 0.73 -0.15 0.00 -0.02 0.00 0.00 57.16 58.01 1lud n GLU 56 Cb 0.50 -5.40 -0.14 0.00 -0.02 0.00 0.00 31.44 26.38 1lud n GLU 56 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lud s ARG 57 N -5.36 0.36 -0.28 3.49 3.00 -1.20 -4.21 118.95 114.75 1lud s ARG 57 Ca 0.20 -0.19 -0.29 0.00 0.00 0.00 0.00 55.73 55.45 1lud s ARG 57 Cb -0.04 -0.34 0.01 0.00 0.00 0.00 0.00 34.95 34.58 1lud s ARG 57 CO 0.78 0.09 1.09 0.99 0.00 0.00 0.00 175.30 178.25 1lud s THR 58 N -0.17 4.52 -0.07 0.02 2.01 -1.23 -4.68 115.64 116.05 1lud s THR 58 Ca 0.01 1.78 0.04 0.00 0.31 0.00 0.00 61.69 63.84 1lud s THR 58 Cb -0.02 -4.35 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 1lud s THR 58 CO -0.00 -0.38 -0.20 0.20 -0.69 0.00 0.00 174.62 173.56 1lud s ASN 59 N 1.61 2.53 -0.06 3.53 0.01 -1.26 -0.65 114.94 120.64 1lud s ASN 59 Ca 0.46 -0.43 0.06 0.00 -0.71 0.00 0.00 52.86 52.24 1lud s ASN 59 Cb -0.14 -0.93 -0.01 0.00 0.41 0.00 0.00 41.25 40.59 1lud s ASN 59 CO 0.13 0.15 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.95 1lud s VAL 60 N 0.21 1.93 0.07 1.60 1.01 0.23 -1.30 120.40 124.16 1lud s VAL 60 Ca -0.10 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1lud s VAL 60 Cb -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1lud s VAL 60 CO 0.05 0.54 0.11 -0.69 0.00 0.00 0.00 175.10 175.11 1lud s VAL 61 N -0.08 4.75 -0.11 2.92 1.01 -1.03 -1.17 120.40 126.70 1lud s VAL 61 Ca -0.05 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1lud s VAL 61 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1lud s VAL 61 CO 0.04 0.13 -0.22 -0.76 0.00 0.00 0.00 175.10 174.29 1lud s LEU 62 N -2.42 2.02 0.08 3.92 1.02 -0.86 -2.48 118.68 119.96 1lud s LEU 62 Ca 0.31 -0.53 -0.09 0.00 0.02 0.00 0.00 54.13 53.84 1lud s LEU 62 Cb -0.12 -1.33 -0.00 0.00 0.02 0.00 0.00 46.19 44.75 1lud s LEU 62 CO 0.24 0.12 0.18 0.28 0.02 0.00 0.00 176.35 177.19 1lud s THR 63 N 0.52 0.14 -2.41 5.49 -1.32 -1.10 -0.46 115.64 116.50 1lud s THR 63 Ca -0.15 -1.15 0.27 0.00 -1.21 0.00 0.00 61.69 59.44 1lud s THR 63 Cb -0.17 -1.28 0.41 0.00 -1.51 0.00 0.00 72.50 69.95 1lud s THR 63 CO 0.05 -0.64 1.60 1.41 -2.21 0.00 0.00 174.62 174.83 1lud n HIS 64 N 0.06 0.00 -2.08 9.09 8.25 -1.26 -4.32 115.22 124.96 1lud n HIS 64 Ca -0.16 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.03 1lud n HIS 64 Cb 0.62 -0.02 0.12 0.00 1.12 0.00 0.00 29.99 31.83 1lud n HIS 64 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1lud s GLN 65 N -2.12 1.47 -0.00 -0.41 1.11 -1.26 -5.02 119.66 113.43 1lud s GLN 65 Ca 0.33 -0.35 0.03 0.00 0.01 0.00 0.00 55.36 55.38 1lud s GLN 65 Cb 0.20 -2.02 -0.04 0.00 -1.01 0.00 0.00 33.01 30.14 1lud s GLN 65 CO 0.38 -1.81 0.09 -1.91 0.01 0.00 0.00 175.29 172.06 1lud n GLU 66 N -3.33 2.63 -0.91 2.91 2.13 -1.26 -4.63 120.64 118.18 1lud n GLU 66 Ca 0.12 -0.02 -0.09 0.00 0.66 0.00 0.00 57.16 57.84 1lud n GLU 66 Cb 0.60 -0.89 0.19 0.00 0.27 0.00 0.00 31.44 31.62 1lud n GLU 66 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1lud n ASP 67 N -1.38 2.74 -4.65 4.31 2.03 -1.26 -5.00 116.55 113.35 1lud n ASP 67 Ca -0.00 -3.77 -0.43 0.00 0.52 0.00 0.00 54.79 51.11 1lud n ASP 67 Cb 0.07 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 39.76 1lud n ASP 67 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lud n TYR 68 N -1.13 2.38 -3.53 -0.67 9.36 -1.26 -4.93 117.16 117.38 1lud n TYR 68 Ca 0.39 -0.30 -0.42 0.00 3.32 0.00 0.00 57.90 60.88 1lud n TYR 68 Cb 1.15 -2.78 -0.10 0.00 -0.63 0.00 0.00 39.34 36.98 1lud n TYR 68 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1lud s GLN 69 N 4.89 2.86 -0.40 2.98 -1.52 -1.26 -4.99 119.66 122.22 1lud s GLN 69 Ca 0.92 -1.16 0.04 0.00 -1.95 0.00 0.00 55.36 53.20 1lud s GLN 69 Cb -0.43 -3.87 0.17 0.00 -0.22 0.00 0.00 33.01 28.65 1lud s GLN 69 CO 0.41 -0.80 0.33 0.00 -0.25 0.00 0.00 175.29 174.97 1lud s ALA 70 N 1.59 1.29 0.19 6.09 0.00 -1.26 -5.11 121.76 124.55 1lud s ALA 70 Ca 0.03 -2.35 -0.30 0.00 0.00 0.00 0.00 51.96 49.34 1lud s ALA 70 Cb -0.20 -1.60 -0.08 0.00 0.00 0.00 0.00 23.12 21.23 1lud s ALA 70 CO 0.07 -1.99 1.19 -0.65 0.00 0.00 0.00 175.76 174.38 1lud s GLN 71 N 0.20 4.50 0.00 0.00 1.11 -1.26 -3.01 119.66 121.19 1lud s GLN 71 Ca 0.31 1.88 0.00 0.00 0.01 0.00 0.00 55.36 57.56 1lud s GLN 71 Cb 0.00 -3.23 0.00 0.00 -1.01 0.00 0.00 33.01 28.77 1lud s GLN 71 CO -0.17 -0.07 0.00 0.41 0.01 0.00 0.00 175.29 175.47 1lud n GLY 72 N 2.11 2.89 3.48 3.09 0.00 -1.26 -5.03 105.19 110.47 1lud n GLY 72 Ca 0.04 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1lud n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lud s ALA 73 N -1.28 2.66 0.92 4.61 0.00 -1.17 -4.89 121.76 122.62 1lud s ALA 73 Ca 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1lud s ALA 73 Cb 0.00 -0.79 0.11 0.00 0.00 0.00 0.00 23.12 22.45 1lud s ALA 73 CO 0.00 0.58 0.95 0.28 0.00 0.00 0.00 175.76 177.57 1lud n VAL 74 N 1.48 0.15 -3.72 0.00 0.31 -0.42 -4.80 118.33 111.34 1lud n VAL 74 Ca -0.16 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 63.97 1lud n VAL 74 Cb 0.52 -0.91 -0.14 0.00 -0.91 0.00 0.00 33.84 32.41 1lud n VAL 74 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1lud s VAL 75 N -2.53 -0.11 0.11 2.52 1.01 -1.26 -2.47 120.40 117.67 1lud s VAL 75 Ca 0.65 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 1lud s VAL 75 Cb -0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 1lud s VAL 75 CO 0.60 0.08 0.15 0.68 0.00 0.00 0.00 175.10 176.61 1lud s VAL 76 N 1.47 0.13 -0.05 2.92 -7.23 -1.04 -4.97 120.40 111.64 1lud s VAL 76 Ca -0.07 -1.47 0.23 0.00 -1.81 0.00 0.00 61.98 58.86 1lud s VAL 76 Cb -0.11 -1.61 0.43 0.00 0.56 0.00 0.00 36.38 35.65 1lud s VAL 76 CO -0.08 -0.60 1.18 1.41 -0.31 0.00 0.00 175.10 176.71 1lud n HIS 77 N -0.07 0.01 -3.20 2.82 -0.00 -1.26 -2.71 115.22 110.81 1lud n HIS 77 Ca -0.11 -0.73 0.04 0.00 -0.00 0.00 0.00 57.72 56.92 1lud n HIS 77 Cb 0.62 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.99 30.42 1lud n HIS 77 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1lud s ASP 78 N -2.28 -0.87 0.49 0.41 -1.08 -1.26 -4.90 116.67 107.18 1lud s ASP 78 Ca 0.35 0.63 0.39 0.00 -0.52 0.00 0.00 52.55 53.40 1lud s ASP 78 Cb 0.39 1.76 1.57 0.00 -1.46 0.00 0.00 42.92 45.18 1lud s ASP 78 CO -0.15 -0.16 1.60 0.58 0.52 0.00 0.00 175.17 177.56 1lud h VAL 79 N 5.64 0.06 -0.80 1.11 2.07 -1.99 0.82 116.25 123.17 1lud h VAL 79 Ca -0.18 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1lud h VAL 79 Cb 1.16 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1lud h VAL 79 CO 0.07 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.18 1lud h ALA 80 N 1.38 1.05 -0.22 1.67 0.00 -2.00 -1.67 119.26 119.47 1lud h ALA 80 Ca 0.87 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.72 1lud h ALA 80 Cb 3.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 20.59 1lud h ALA 80 CO -0.27 0.34 0.02 0.00 0.00 0.00 0.00 179.25 179.34 1lud h ALA 81 N 1.33 0.29 -0.79 0.00 0.00 0.27 -2.88 119.26 117.48 1lud h ALA 81 Ca 0.32 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1lud h ALA 81 Cb -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1lud h ALA 81 CO -0.11 -0.01 0.48 0.28 0.00 0.00 0.00 179.25 179.90 1lud h VAL 82 N 0.16 1.04 -0.43 0.00 2.07 -1.36 -0.91 116.25 116.83 1lud h VAL 82 Ca 0.06 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1lud h VAL 82 Cb 0.36 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1lud h VAL 82 CO 0.01 0.16 0.29 -0.26 0.02 0.00 0.00 177.57 177.79 1lud h PHE 83 N 0.89 0.44 0.51 1.57 0.04 -1.17 -2.73 116.94 116.48 1lud h PHE 83 Ca 0.34 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.10 1lud h PHE 83 Cb 0.14 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1lud h PHE 83 CO -0.04 0.26 -0.24 0.00 -0.60 0.00 0.00 178.31 177.68 1lud h ALA 84 N 1.75 -0.68 -0.55 2.45 0.00 -0.95 -2.79 119.26 118.48 1lud h ALA 84 Ca 0.17 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1lud h ALA 84 Cb 0.13 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 1lud h ALA 84 CO -0.04 -0.81 -0.33 -0.92 0.00 0.00 0.00 179.25 177.15 1lud h TYR 85 N -0.83 -0.90 -0.65 0.00 3.20 -1.32 0.21 116.97 116.68 1lud h TYR 85 Ca -0.07 0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.97 1lud h TYR 85 Cb 0.59 0.48 -0.08 0.00 1.54 0.00 0.00 36.73 39.26 1lud h TYR 85 CO -0.01 -0.38 0.25 0.00 -1.64 0.00 0.00 178.16 176.38 1lud h ALA 86 N 0.97 0.85 0.00 1.82 0.00 -1.53 0.32 119.26 121.69 1lud h ALA 86 Ca 0.22 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1lud h ALA 86 Cb 0.54 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1lud h ALA 86 CO -0.65 -0.18 -0.10 -0.22 0.00 0.00 0.00 179.25 178.10 1lud h LYS 87 N 0.43 0.00 0.09 0.00 1.63 -0.74 -2.88 116.57 115.10 1lud h LYS 87 Ca 0.33 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.81 1lud h LYS 87 Cb 0.42 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1lud h LYS 87 CO -0.32 0.10 -1.76 1.96 -3.45 0.00 0.00 179.45 175.97 1lud h GLN 88 N 0.00 0.19 -5.63 1.90 4.20 0.90 -3.44 115.11 113.22 1lud h GLN 88 Ca -0.00 -0.32 -0.62 0.00 0.06 0.00 0.00 58.65 57.77 1lud h GLN 88 Cb 0.26 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.04 1lud h GLN 88 CO 0.01 0.98 0.26 -1.01 -0.67 0.00 0.00 178.83 178.40 1lud s HIS 89 N -2.59 3.17 -2.07 2.96 3.76 0.69 -4.90 115.29 116.31 1lud s HIS 89 Ca -0.13 0.56 0.12 0.00 -0.15 0.00 0.00 55.06 55.45 1lud s HIS 89 Cb 0.07 -3.19 0.47 0.00 1.11 0.00 0.00 32.58 31.04 1lud s HIS 89 CO 0.81 -0.61 1.34 -0.35 -0.85 0.00 0.00 174.74 175.08 1lud n PRO 90 N 6.14 1.47 0.00 8.40 -0.04 -1.26 -3.60 135.00 146.11 1lud n PRO 90 Ca 0.01 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1lud n PRO 90 Cb 0.48 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1lud n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lud n ASP 91 N 0.03 0.49 -3.45 3.54 9.92 -1.26 -5.00 116.55 120.81 1lud n ASP 91 Ca 0.10 -1.22 -0.16 0.00 -0.53 0.00 0.00 54.79 52.98 1lud n ASP 91 Cb 0.20 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.56 1lud n ASP 91 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1lud s GLN 92 N -0.22 0.24 0.00 -1.24 0.74 -1.24 -4.78 119.66 113.16 1lud s GLN 92 Ca 0.00 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.63 1lud s GLN 92 Cb 0.00 -1.01 0.00 0.00 1.10 0.00 0.00 33.01 33.10 1lud s GLN 92 CO 0.00 -0.70 0.00 0.39 -0.55 0.00 0.00 175.29 174.43 1lud n GLU 93 N 5.33 0.76 -3.74 1.67 1.02 -1.26 -4.67 120.64 119.74 1lud n GLU 93 Ca -0.05 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.73 1lud n GLU 93 Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.79 1lud n GLU 93 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1lud s LEU 94 N 0.00 3.49 -0.13 -4.62 2.96 -1.26 -2.35 118.68 116.77 1lud s LEU 94 Ca 0.00 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1lud s LEU 94 Cb 0.00 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.76 1lud s LEU 94 CO 0.00 -0.03 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.08 1lud s VAL 95 N 1.62 2.12 -0.54 1.68 1.01 0.32 -0.70 120.40 125.91 1lud s VAL 95 Ca 0.06 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1lud s VAL 95 Cb -0.15 -1.83 0.10 0.00 0.00 0.00 0.00 36.38 34.50 1lud s VAL 95 CO 0.04 0.55 0.56 -0.63 0.00 0.00 0.00 175.10 175.63 1lud s ILE 96 N 0.62 5.05 -2.14 2.22 -1.09 0.34 0.47 121.20 126.66 1lud s ILE 96 Ca -0.12 -1.13 0.18 0.00 -2.23 0.00 0.00 60.65 57.34 1lud s ILE 96 Cb -0.16 -4.35 0.43 0.00 -1.58 0.00 0.00 42.46 36.80 1lud s ILE 96 CO 0.03 -0.89 1.53 0.00 -1.23 0.00 0.00 174.94 174.37 1lud n ALA 97 N 5.71 2.54 0.00 9.38 0.00 0.39 -2.30 120.51 136.22 1lud n ALA 97 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1lud n ALA 97 Cb 0.42 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1lud n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lud n GLY 98 N 0.97 -0.67 0.00 0.00 0.00 -1.06 -4.90 105.19 99.52 1lud n GLY 98 Ca 0.14 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1lud n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lud n GLY 99 N 0.00 -1.25 0.25 -0.02 0.00 -1.26 -0.18 105.19 102.72 1lud n GLY 99 Ca 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 1lud n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lud h ALA 100 N -2.00 0.77 -0.95 4.61 0.00 -1.92 -2.34 119.26 117.43 1lud h ALA 100 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1lud h ALA 100 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 1lud h ALA 100 CO 0.00 0.23 0.61 1.96 0.00 0.00 0.00 179.25 182.05 1lud h GLN 101 N 0.82 0.92 0.00 0.00 4.20 -1.98 -0.71 115.11 118.35 1lud h GLN 101 Ca 0.22 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1lud h GLN 101 Cb -0.04 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 1lud h GLN 101 CO -0.04 0.61 -0.36 0.82 -0.67 0.00 0.00 178.83 179.18 1lud h ILE 102 N 0.94 0.67 0.00 2.54 1.08 -1.67 -3.07 117.51 118.00 1lud h ILE 102 Ca 0.46 -1.74 -0.06 0.00 -0.39 0.00 0.00 64.86 63.13 1lud h ILE 102 Cb 0.45 2.17 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 1lud h ILE 102 CO -0.22 0.35 -0.30 -0.26 -0.69 0.00 0.00 178.15 177.04 1lud h PHE 103 N 0.00 0.00 0.01 1.37 0.04 -0.64 -2.86 116.94 114.86 1lud h PHE 103 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1lud h PHE 103 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1lud h PHE 103 CO 0.00 0.30 -0.00 1.15 -0.60 0.00 0.00 178.31 179.16 1lud h THR 104 N 0.00 1.51 0.00 -1.55 2.02 -1.35 -1.12 112.91 112.42 1lud h THR 104 Ca -0.00 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.12 1lud h THR 104 Cb 0.92 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1lud h THR 104 CO 0.04 0.50 -0.03 0.00 0.37 0.00 0.00 175.52 176.39 1lud h ALA 105 N -0.10 1.86 -0.02 6.16 0.00 -1.61 -1.80 119.26 123.76 1lud h ALA 105 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1lud h ALA 105 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1lud h ALA 105 CO 0.00 0.04 -0.35 1.19 0.00 0.00 0.00 179.25 180.13 1lud n PHE 106 N -4.38 0.00 -0.34 0.00 3.01 -1.08 -4.46 117.46 110.22 1lud n PHE 106 Ca -0.03 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.49 1lud n PHE 106 Cb 0.12 -0.02 0.22 0.00 -0.01 0.00 0.00 39.48 39.79 1lud n PHE 106 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1lud h LYS 107 N 2.67 0.91 -0.36 -1.08 5.09 -0.27 -1.93 116.57 121.59 1lud h LYS 107 Ca 0.00 -0.05 -0.12 0.00 0.09 0.00 0.00 60.65 60.57 1lud h LYS 107 Cb 0.76 -0.20 -0.01 0.00 0.10 0.00 0.00 32.23 32.87 1lud h LYS 107 CO 0.00 0.60 -0.24 0.22 -2.09 0.00 0.00 179.45 177.94 1lud h ASP 108 N 0.93 0.75 -3.81 7.07 3.58 -1.78 -3.36 116.42 119.80 1lud h ASP 108 Ca 0.47 -0.27 -0.78 0.00 0.42 0.00 0.00 57.03 56.86 1lud h ASP 108 Cb 0.45 -0.20 -0.27 0.00 1.72 0.00 0.00 39.33 41.02 1lud h ASP 108 CO -0.26 0.96 0.10 -1.81 -2.88 0.00 0.00 179.24 175.36 1lud s ASP 109 N -6.77 6.70 0.07 2.28 1.11 -0.72 -5.03 116.67 114.31 1lud s ASP 109 Ca -0.09 -2.86 0.09 0.00 0.18 0.00 0.00 52.55 49.87 1lud s ASP 109 Cb 0.13 -2.17 -0.03 0.00 1.07 0.00 0.00 42.92 41.92 1lud s ASP 109 CO 0.83 -0.51 -0.23 -0.69 1.18 0.00 0.00 175.17 175.75 1lud s VAL 110 N -0.10 1.88 0.00 -1.27 1.01 -1.25 -4.78 120.40 115.89 1lud s VAL 110 Ca 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1lud s VAL 110 Cb -0.11 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1lud s VAL 110 CO -0.08 0.15 0.00 -0.67 0.00 0.00 0.00 175.10 174.50 1lud n ASP 111 N 1.48 2.31 -3.82 3.32 2.03 0.33 -4.83 116.55 117.38 1lud n ASP 111 Ca -0.18 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.01 1lud n ASP 111 Cb 0.53 0.13 -0.13 0.00 -0.72 0.00 0.00 41.12 40.93 1lud n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1lud s THR 112 N -1.51 -0.01 -0.12 5.18 2.01 -1.04 -2.49 115.64 117.67 1lud s THR 112 Ca 0.00 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1lud s THR 112 Cb 0.00 -0.17 -0.00 0.00 0.01 0.00 0.00 72.50 72.33 1lud s THR 112 CO 0.00 0.01 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.99 1lud s LEU 113 N 0.26 2.34 -0.23 4.42 1.43 -0.77 0.26 118.68 126.38 1lud s LEU 113 Ca -0.02 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1lud s LEU 113 Cb -0.03 -1.49 0.06 0.00 0.03 0.00 0.00 46.19 44.76 1lud s LEU 113 CO -0.01 0.15 -0.06 -0.76 0.23 0.00 0.00 176.35 175.90 1lud s LEU 114 N 0.39 2.64 -0.01 1.79 1.43 0.42 0.14 118.68 125.49 1lud s LEU 114 Ca -0.15 -1.18 0.05 0.00 -1.03 0.00 0.00 54.13 51.83 1lud s LEU 114 Cb -0.17 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1lud s LEU 114 CO 0.07 -0.22 -0.18 0.54 0.23 0.00 0.00 176.35 176.79 1lud s VAL 115 N 1.36 1.38 -0.35 -1.59 0.11 -0.59 -1.22 120.40 119.51 1lud s VAL 115 Ca -0.06 -0.79 -0.06 0.00 -2.93 0.00 0.00 61.98 58.14 1lud s VAL 115 Cb -0.19 -1.16 0.05 0.00 -1.53 0.00 0.00 36.38 33.55 1lud s VAL 115 CO -0.06 0.36 0.12 -0.89 -3.33 0.00 0.00 175.10 171.30 1lud s THR 116 N -0.46 3.72 -0.28 5.04 2.01 -0.95 -0.84 115.64 123.88 1lud s THR 116 Ca 0.07 -1.25 -0.15 0.00 0.31 0.00 0.00 61.69 60.67 1lud s THR 116 Cb -0.07 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 1lud s THR 116 CO -0.00 -0.24 0.36 -0.13 -0.69 0.00 0.00 174.62 173.91 1lud s ARG 117 N 1.37 3.95 0.48 4.92 1.81 -0.74 -0.42 118.95 130.33 1lud s ARG 117 Ca -0.01 -0.04 -0.05 0.00 -1.72 0.00 0.00 55.73 53.90 1lud s ARG 117 Cb -0.20 -3.68 -0.04 0.00 -0.45 0.00 0.00 34.95 30.58 1lud s ARG 117 CO 0.02 -0.31 0.79 -0.51 -0.68 0.00 0.00 175.30 174.61 1lud s LEU 118 N 2.05 3.62 0.21 2.53 1.02 -0.75 -1.69 118.68 125.67 1lud s LEU 118 Ca 0.14 0.95 0.19 0.00 0.02 0.00 0.00 54.13 55.43 1lud s LEU 118 Cb -0.16 -3.91 0.02 0.00 0.02 0.00 0.00 46.19 42.17 1lud s LEU 118 CO 0.10 -0.58 1.16 0.00 0.02 0.00 0.00 176.35 177.05 1lud h ALA 119 N 0.22 0.67 -2.42 4.21 0.00 -1.18 -2.85 119.26 117.92 1lud h ALA 119 Ca -0.47 -0.41 -0.46 0.00 0.00 0.00 0.00 54.91 53.58 1lud h ALA 119 Cb 1.20 0.07 0.13 0.00 0.00 0.00 0.00 17.79 19.20 1lud h ALA 119 CO 0.62 0.48 0.34 0.20 0.00 0.00 0.00 179.25 180.89 1lud s GLY 120 N -4.51 1.62 -0.19 0.00 0.00 -1.17 -4.76 107.32 98.31 1lud s GLY 120 Ca 0.01 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1lud s GLY 120 CO 0.77 -0.11 -0.10 -1.35 0.00 0.00 0.00 173.10 172.31 1lud s SER 121 N -4.33 3.23 0.29 1.64 1.04 -1.26 -2.87 113.70 111.45 1lud s SER 121 Ca 0.65 -0.82 0.09 0.00 0.48 0.00 0.00 55.95 56.36 1lud s SER 121 Cb -0.11 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 1lud s SER 121 CO 0.52 -0.15 0.10 -0.36 0.98 0.00 0.00 173.24 174.34 1lud s PHE 122 N 1.45 2.78 0.21 5.02 0.40 -1.26 -5.05 117.98 121.53 1lud s PHE 122 Ca -0.00 -0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.14 1lud s PHE 122 Cb -0.16 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1lud s PHE 122 CO -0.08 0.48 0.04 -1.21 0.70 0.00 0.00 175.22 175.14 1lud s GLU 123 N -3.78 2.48 0.00 0.44 8.01 -1.26 -4.89 118.70 119.70 1lud s GLU 123 Ca 0.34 -1.17 0.00 0.00 0.01 0.00 0.00 54.97 54.16 1lud s GLU 123 Cb -0.05 -2.35 0.00 0.00 -4.31 0.00 0.00 34.13 27.42 1lud s GLU 123 CO 0.22 0.42 0.00 0.41 0.01 0.00 0.00 175.26 176.33 1lud n GLY 124 N -0.49 1.45 0.00 -1.39 0.00 -1.26 -4.97 105.19 98.53 1lud n GLY 124 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1lud n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lud n ASP 125 N 0.00 0.16 -4.37 1.61 9.92 -1.26 -5.04 116.55 117.57 1lud n ASP 125 Ca 0.00 -0.03 -0.35 0.00 -0.53 0.00 0.00 54.79 53.88 1lud n ASP 125 Cb 0.00 0.09 -0.13 0.00 -0.64 0.00 0.00 41.12 40.43 1lud n ASP 125 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1lud s THR 126 N -0.12 3.63 0.25 -3.53 2.01 -1.25 -5.08 115.64 111.55 1lud s THR 126 Ca 0.00 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1lud s THR 126 Cb 0.00 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1lud s THR 126 CO 0.00 0.42 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.80 1lud s LYS 127 N 1.27 1.43 0.76 4.92 1.02 -1.26 -2.29 119.74 125.58 1lud s LYS 127 Ca 0.03 -1.73 -0.14 0.00 0.02 0.00 0.00 55.97 54.15 1lud s LYS 127 Cb -0.14 -0.78 0.06 0.00 -0.52 0.00 0.00 37.83 36.44 1lud s LYS 127 CO -0.00 -0.08 1.20 1.41 -0.92 0.00 0.00 175.35 176.96 1lud s MET 128 N -3.83 1.96 0.85 1.68 1.75 -1.24 -4.88 119.30 115.59 1lud s MET 128 Ca 0.30 1.75 -0.12 0.00 -1.25 0.00 0.00 55.69 56.37 1lud s MET 128 Cb 0.06 -1.81 0.10 0.00 2.84 0.00 0.00 34.83 36.02 1lud s MET 128 CO 0.10 -1.97 1.10 0.96 -0.65 0.00 0.00 175.02 174.57 1lud s ILE 129 N -2.06 2.75 -0.67 10.11 -4.36 -1.26 -4.91 121.20 120.80 1lud s ILE 129 Ca 0.74 0.24 -0.26 0.00 -0.26 0.00 0.00 60.65 61.11 1lud s ILE 129 Cb -0.29 -2.89 -0.05 0.00 1.25 0.00 0.00 42.46 40.48 1lud s ILE 129 CO 0.47 -0.32 2.06 -2.16 0.24 0.00 0.00 174.94 175.24 1lud s PRO 130 N -5.09 2.37 0.32 0.37 0.05 -1.26 -4.98 135.00 126.78 1lud s PRO 130 Ca 0.62 0.56 -0.10 0.00 0.05 0.00 0.00 61.00 62.14 1lud s PRO 130 Cb -0.16 -4.63 -0.07 0.00 0.05 0.00 0.00 34.50 29.69 1lud s PRO 130 CO 0.55 -3.20 0.66 -0.51 0.05 0.00 0.00 177.00 174.55 1lud s LEU 131 N 10.66 4.01 -1.24 -3.56 1.43 -1.26 -4.99 118.68 123.73 1lud s LEU 131 Ca 0.77 1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 54.81 1lud s LEU 131 Cb -0.12 -3.83 0.19 0.00 0.03 0.00 0.00 46.19 42.46 1lud s LEU 131 CO 0.15 -0.23 1.88 -3.20 0.23 0.00 0.00 176.35 175.18 1lud n ASN 132 N -0.75 5.87 -0.18 2.29 5.15 -1.26 -4.77 115.26 121.61 1lud n ASN 132 Ca 0.01 -3.20 0.27 0.00 -0.60 0.00 0.00 54.58 51.07 1lud n ASN 132 Cb 0.53 -1.41 0.70 0.00 -0.53 0.00 0.00 39.78 39.07 1lud n ASN 132 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 1lud h TRP 133 N 5.45 0.06 0.00 1.20 4.06 -1.94 0.43 115.95 125.21 1lud h TRP 133 Ca 0.41 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.33 1lud h TRP 133 Cb 0.56 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.70 1lud h TRP 133 CO 1.26 0.01 -0.13 0.22 -3.56 0.00 0.00 178.44 176.25 1lud h ASP 134 N 0.05 0.00 0.40 -3.49 3.58 -2.04 -1.37 116.42 113.54 1lud h ASP 134 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1lud h ASP 134 Cb 1.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.66 1lud h ASP 134 CO -0.03 0.13 -0.44 -0.67 -2.88 0.00 0.00 179.24 175.36 1lud n ASP 135 N -4.06 0.68 -4.62 2.28 2.03 0.15 -4.90 116.55 108.11 1lud n ASP 135 Ca -0.02 -0.47 -0.24 0.00 0.52 0.00 0.00 54.79 54.57 1lud n ASP 135 Cb 0.22 0.23 -0.08 0.00 -0.72 0.00 0.00 41.12 40.77 1lud n ASP 135 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1lud s PHE 136 N -2.84 2.55 -0.03 -0.67 0.40 -0.52 -4.03 117.98 112.84 1lud s PHE 136 Ca 0.15 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1lud s PHE 136 Cb 0.18 -1.43 0.02 0.00 0.51 0.00 0.00 43.02 42.30 1lud s PHE 136 CO 0.65 0.51 -0.04 0.99 0.70 0.00 0.00 175.22 178.03 1lud s THR 137 N -2.50 0.43 -0.12 0.64 2.01 -1.11 -4.88 115.64 110.11 1lud s THR 137 Ca 0.34 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 1lud s THR 137 Cb -0.01 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1lud s THR 137 CO 0.19 0.18 1.45 -0.75 -0.69 0.00 0.00 174.62 175.01 1lud s LYS 138 N 0.67 4.18 0.03 4.92 2.36 -1.26 -1.48 119.74 129.16 1lud s LYS 138 Ca -0.08 1.88 0.20 0.00 -2.55 0.00 0.00 55.97 55.42 1lud s LYS 138 Cb -0.11 -3.88 -0.18 0.00 -1.05 0.00 0.00 37.83 32.61 1lud s LYS 138 CO -0.00 -0.81 0.67 1.33 1.55 0.00 0.00 175.35 178.08 1lud n VAL 139 N 5.50 0.72 -3.79 4.02 0.24 0.23 -4.92 118.33 120.33 1lud n VAL 139 Ca 0.16 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.34 61.71 1lud n VAL 139 Cb 0.44 -0.38 -0.12 0.00 -1.47 0.00 0.00 33.84 32.31 1lud n VAL 139 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1lud s SER 140 N -5.26 -0.25 -0.16 -1.34 0.01 -1.12 -5.01 113.70 100.57 1lud s SER 140 Ca -0.05 0.47 -0.13 0.00 1.31 0.00 0.00 55.95 57.55 1lud s SER 140 Cb 0.10 0.48 0.05 0.00 0.21 0.00 0.00 66.02 66.86 1lud s SER 140 CO 0.84 -0.08 0.42 -0.44 0.41 0.00 0.00 173.24 174.39 1lud s SER 141 N 0.13 -0.47 -0.02 2.44 0.01 -1.26 -0.34 113.70 114.19 1lud s SER 141 Ca -0.00 0.87 0.02 0.00 1.31 0.00 0.00 55.95 58.15 1lud s SER 141 Cb -0.02 0.84 0.01 0.00 0.21 0.00 0.00 66.02 67.06 1lud s SER 141 CO 0.00 -0.16 -0.07 -0.60 0.41 0.00 0.00 173.24 172.83 1lud s ARG 142 N 0.55 0.75 -0.16 12.44 6.06 -0.90 -4.95 118.95 132.74 1lud s ARG 142 Ca -0.03 -0.22 -0.05 0.00 -2.50 0.00 0.00 55.73 52.93 1lud s ARG 142 Cb -0.04 -0.73 -0.03 0.00 0.06 0.00 0.00 34.95 34.20 1lud s ARG 142 CO -0.03 0.07 0.00 0.99 -2.50 0.00 0.00 175.30 173.83 1lud s THR 143 N 0.26 4.26 -0.13 4.11 2.01 -1.26 -0.68 115.64 124.21 1lud s THR 143 Ca -0.03 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1lud s THR 143 Cb -0.08 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1lud s THR 143 CO 0.00 0.48 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.53 1lud s VAL 144 N 0.32 1.85 0.49 3.82 1.01 -0.46 -5.00 120.40 122.42 1lud s VAL 144 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1lud s VAL 144 Cb -0.13 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1lud s VAL 144 CO 0.02 0.51 0.79 -1.83 0.00 0.00 0.00 175.10 174.58 1lud s GLU 145 N 0.95 3.47 0.06 2.72 -1.05 -1.26 -2.67 118.70 120.93 1lud s GLU 145 Ca -0.05 0.15 -0.03 0.00 -0.15 0.00 0.00 54.97 54.89 1lud s GLU 145 Cb -0.15 -2.38 -0.03 0.00 -0.44 0.00 0.00 34.13 31.14 1lud s GLU 145 CO -0.03 -0.24 0.04 0.34 0.95 0.00 0.00 175.26 176.31 1lud s ASP 146 N -4.13 0.37 0.32 0.83 -1.08 -1.26 -4.95 116.67 106.77 1lud s ASP 146 Ca 0.48 -0.88 0.21 0.00 -0.52 0.00 0.00 52.55 51.84 1lud s ASP 146 Cb -0.10 0.24 1.15 0.00 -1.46 0.00 0.00 42.92 42.75 1lud s ASP 146 CO 0.45 -0.64 1.65 0.35 0.52 0.00 0.00 175.17 177.49 1lud n THR 147 N 0.08 1.03 -4.07 1.71 -2.24 -1.26 -4.37 114.28 105.15 1lud n THR 147 Ca -0.14 0.74 -0.35 0.00 -2.27 0.00 0.00 64.05 62.03 1lud n THR 147 Cb 0.61 -1.74 -0.12 0.00 -2.10 0.00 0.00 70.33 66.98 1lud n THR 147 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1lud s ASN 148 N -4.00 4.89 0.23 3.42 3.84 -1.26 -5.00 114.94 117.06 1lud s ASN 148 Ca -0.02 -0.18 -0.07 0.00 0.21 0.00 0.00 52.86 52.79 1lud s ASN 148 Cb 0.06 -1.84 0.41 0.00 -0.55 0.00 0.00 41.25 39.33 1lud s ASN 148 CO 0.19 0.07 1.67 -0.65 -2.79 0.00 0.00 177.10 175.60 1lud h PRO 149 N 7.44 0.20 0.03 0.43 0.10 -2.00 -1.62 132.00 136.58 1lud h PRO 149 Ca -0.36 -0.01 -0.22 0.00 0.10 0.00 0.00 66.00 65.51 1lud h PRO 149 Cb 1.18 -0.04 -0.02 0.00 0.10 0.00 0.00 31.00 32.21 1lud h PRO 149 CO 0.61 0.13 -1.04 0.00 0.10 0.00 0.00 178.00 177.80 1lud h ALA 150 N 1.60 0.31 0.00 -0.75 0.00 -1.94 -3.22 119.26 115.27 1lud h ALA 150 Ca 0.39 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1lud h ALA 150 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1lud h ALA 150 CO -0.53 1.18 0.00 1.28 0.00 0.00 0.00 179.25 181.18 1lud n LEU 151 N -3.40 0.00 -4.77 0.00 4.77 -0.62 -3.03 117.00 109.95 1lud n LEU 151 Ca -0.02 0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.63 1lud n LEU 151 Cb 0.95 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.97 1lud n LEU 151 CO 0.48 -0.03 0.95 -0.89 -1.33 0.00 0.00 177.39 176.57 1lud s THR 152 N -2.12 2.67 0.18 -5.08 2.01 -1.12 -4.70 115.64 107.48 1lud s THR 152 Ca 0.21 0.59 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 1lud s THR 152 Cb 0.10 -3.34 0.06 0.00 0.01 0.00 0.00 72.50 69.33 1lud s THR 152 CO 0.18 0.08 0.61 -1.38 -0.69 0.00 0.00 174.62 173.43 1lud s HIS 153 N -1.28 -0.45 0.09 4.92 -3.43 -1.09 -1.04 115.29 113.01 1lud s HIS 153 Ca 0.57 0.19 0.06 0.00 -0.80 0.00 0.00 55.06 55.08 1lud s HIS 153 Cb -0.37 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 1lud s HIS 153 CO 0.47 -0.92 -0.14 0.99 -2.00 0.00 0.00 174.74 173.14 1lud s THR 154 N -3.79 1.22 -0.19 -5.38 2.01 -0.68 -1.36 115.64 107.48 1lud s THR 154 Ca 0.03 -1.49 -0.04 0.00 0.31 0.00 0.00 61.69 60.50 1lud s THR 154 Cb -0.02 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1lud s THR 154 CO -0.09 -0.30 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.21 1lud s TYR 155 N -1.65 3.03 -0.17 4.92 2.02 0.14 -1.79 117.35 123.86 1lud s TYR 155 Ca 0.03 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1lud s TYR 155 Cb -0.08 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 1lud s TYR 155 CO 0.03 -0.19 -0.16 -1.21 -1.57 0.00 0.00 175.55 172.45 1lud s GLU 156 N 0.81 3.16 -0.17 -0.62 2.02 -0.02 -2.12 118.70 121.76 1lud s GLU 156 Ca -0.00 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 1lud s GLU 156 Cb -0.14 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 1lud s GLU 156 CO 0.02 -0.07 -0.06 0.08 0.02 0.00 0.00 175.26 175.24 1lud s VAL 157 N 1.03 3.55 0.31 2.63 1.01 0.54 -1.55 120.40 127.92 1lud s VAL 157 Ca -0.01 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 61.60 1lud s VAL 157 Cb -0.15 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1lud s VAL 157 CO -0.04 0.48 -0.07 0.26 0.00 0.00 0.00 175.10 175.73 1lud s TRP 158 N 0.68 2.48 0.01 5.22 0.52 0.12 0.76 118.94 128.73 1lud s TRP 158 Ca -0.03 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.71 1lud s TRP 158 Cb -0.15 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 1lud s TRP 158 CO 0.02 0.58 -0.05 -0.65 0.02 0.00 0.00 176.95 176.88 1lud s GLN 159 N -3.64 0.36 0.02 4.98 -0.21 -0.55 -1.85 119.66 118.78 1lud s GLN 159 Ca 0.33 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 1lud s GLN 159 Cb -0.02 -0.24 -0.04 0.00 1.00 0.00 0.00 33.01 33.72 1lud s GLN 159 CO 0.18 0.05 1.02 0.21 -2.12 0.00 0.00 175.29 174.63 1lud s LYS 160 N -0.69 4.55 0.59 2.91 2.36 -1.04 -2.74 119.74 125.68 1lud s LYS 160 Ca -0.04 1.49 -0.09 0.00 -2.55 0.00 0.00 55.97 54.78 1lud s LYS 160 Cb -0.05 -3.43 -0.03 0.00 -1.05 0.00 0.00 37.83 33.27 1lud s LYS 160 CO -0.00 -0.06 0.96 0.15 1.55 0.00 0.00 175.35 177.95 1lud s LYS 161 N 0.90 3.46 0.00 4.03 1.02 -1.26 -5.02 119.74 122.88 1lud s LYS 161 Ca 0.53 0.51 0.08 0.00 0.02 0.00 0.00 55.97 57.11 1lud s LYS 161 Cb -0.23 -2.17 0.06 0.00 -0.52 0.00 0.00 37.83 34.97 1lud s LYS 161 CO 0.29 -0.52 0.75 0.00 -0.92 0.00 0.00 175.35 174.94