#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 1.22 -0.15 2.41 0.00 0.14 0.95 121.76 126.33 1lud s ALA 2 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.65 1lud s ALA 2 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1lud s ALA 2 CO 0.00 -0.04 0.02 -0.06 0.00 0.00 0.00 175.76 175.68 1lud s PHE 3 N -2.61 3.17 -0.34 0.00 0.40 0.33 0.17 117.98 119.10 1lud s PHE 3 Ca 0.08 -0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1lud s PHE 3 Cb -0.02 -1.98 0.11 0.00 0.51 0.00 0.00 43.02 41.64 1lud s PHE 3 CO 0.00 0.17 0.14 -1.17 0.70 0.00 0.00 175.22 175.06 1lud s LEU 4 N 0.10 2.02 0.34 -0.37 2.96 -0.93 0.13 118.68 122.94 1lud s LEU 4 Ca 0.03 -1.88 0.05 0.00 -0.22 0.00 0.00 54.13 52.11 1lud s LEU 4 Cb -0.13 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1lud s LEU 4 CO 0.01 -0.37 0.21 -1.66 -1.32 0.00 0.00 176.35 173.22 1lud s TRP 5 N 1.33 1.70 -0.02 5.38 -2.14 -0.24 -4.58 118.94 120.37 1lud s TRP 5 Ca 0.12 -1.50 0.02 0.00 2.66 0.00 0.00 56.10 57.41 1lud s TRP 5 Cb -0.19 -0.85 0.00 0.00 -3.10 0.00 0.00 33.47 29.33 1lud s TRP 5 CO -0.18 -0.65 -0.08 0.00 -2.66 0.00 0.00 176.95 173.38 1lud s ALA 6 N -3.45 0.77 0.04 2.67 0.00 -1.26 -2.16 121.76 118.36 1lud s ALA 6 Ca 0.35 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1lud s ALA 6 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1lud s ALA 6 CO 0.22 0.14 0.12 1.14 0.00 0.00 0.00 175.76 177.37 1lud s GLN 7 N 0.08 0.61 0.00 0.00 -2.07 0.12 -4.42 119.66 113.99 1lud s GLN 7 Ca -0.01 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 1lud s GLN 7 Cb -0.07 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 1lud s GLN 7 CO 0.00 -0.16 0.00 -0.40 -1.32 0.00 0.00 175.29 173.41 1lud n ASP 8 N 0.74 0.00 -0.32 12.60 5.68 -1.22 -1.42 116.55 132.61 1lud n ASP 8 Ca -0.19 -0.60 -0.02 0.00 -0.50 0.00 0.00 54.79 53.48 1lud n ASP 8 Cb 0.59 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.67 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 1.08 -0.05 0.11 -0.00 -1.48 -2.43 114.38 111.61 1lud h ARG 9 Ca 0.00 -0.07 -0.15 0.00 -0.00 0.00 0.00 59.98 59.76 1lud h ARG 9 Cb 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.97 29.71 1lud h ARG 9 CO 0.00 0.72 -0.66 -0.44 -0.00 0.00 0.00 179.97 179.59 1lud h ASP 10 N 1.12 0.24 0.00 0.08 3.32 -1.91 -3.47 116.42 115.79 1lud h ASP 10 Ca 0.34 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1lud h ASP 10 Cb -0.04 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1lud h ASP 10 CO -0.10 0.83 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 1lud n GLY 11 N 0.38 1.10 3.92 2.75 0.00 -0.91 -5.09 105.19 107.34 1lud n GLY 11 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 3.26 0.05 0.99 2.96 -1.26 -3.36 118.68 121.32 1lud s LEU 12 Ca 0.00 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1lud s LEU 12 Cb 0.00 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1lud s LEU 12 CO 0.00 -1.05 0.00 2.30 -1.32 0.00 0.00 176.35 176.28 1lud n ILE 13 N -2.55 0.14 -3.73 6.68 -5.35 -1.20 -3.42 119.36 109.93 1lud n ILE 13 Ca 0.04 0.05 -0.13 0.00 -0.27 0.00 0.00 62.75 62.44 1lud n ILE 13 Cb 0.58 -0.59 -0.10 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 -3.80 -0.28 -0.10 3.28 0.00 -1.24 -4.52 107.32 100.66 1lud s GLY 14 Ca 0.00 0.96 0.04 0.00 0.00 0.00 0.00 44.72 45.72 1lud s GLY 14 CO 0.00 0.79 -0.23 1.25 0.00 0.00 0.00 173.10 174.91 1lud s LYS 15 N -0.16 2.94 -1.23 2.90 2.20 -1.23 -4.10 119.74 121.06 1lud s LYS 15 Ca -0.03 -0.84 -0.10 0.00 -0.36 0.00 0.00 55.97 54.64 1lud s LYS 15 Cb -0.03 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 34.03 1lud s LYS 15 CO 0.02 0.14 0.71 -0.25 -0.36 0.00 0.00 175.35 175.60 1lud n ASP 16 N 3.63 -3.27 0.00 1.43 8.00 -1.26 -3.78 116.55 121.30 1lud n ASP 16 Ca -0.19 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1lud n ASP 16 Cb 0.53 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 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 -1.67 2.26 3.75 0.44 0.00 -1.26 -4.91 105.19 103.81 1lud n GLY 17 Ca -0.19 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1lud n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1lud s HIS 18 N 0.00 3.00 0.95 1.61 -3.43 -1.25 -4.96 115.29 111.21 1lud s HIS 18 Ca 0.00 1.16 -0.12 0.00 -0.80 0.00 0.00 55.06 55.30 1lud s HIS 18 Cb 0.00 -3.79 0.07 0.00 -1.43 0.00 0.00 32.58 27.43 1lud s HIS 18 CO 0.00 -2.43 0.61 1.28 -2.00 0.00 0.00 174.74 172.20 1lud n LEU 19 N 1.76 0.73 0.07 5.38 4.77 -1.26 -3.52 117.00 124.92 1lud n LEU 19 Ca 0.04 0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1lud n LEU 19 Cb 0.41 -1.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.08 1lud n LEU 19 CO 0.60 -3.22 -0.20 1.55 -1.33 0.00 0.00 177.39 174.79 1lud h PRO 20 N -1.67 0.19 -6.27 3.23 0.14 -1.87 -3.45 132.00 122.30 1lud h PRO 20 Ca -0.43 -0.33 -0.69 0.00 0.14 0.00 0.00 66.00 64.68 1lud h PRO 20 Cb 1.28 0.12 -0.26 0.00 0.14 0.00 0.00 31.00 32.28 1lud h PRO 20 CO 0.36 1.07 -0.81 1.67 0.14 0.00 0.00 178.00 180.43 1lud s TRP 21 N -2.64 2.59 -0.70 1.56 -2.14 -1.26 -5.06 118.94 111.29 1lud s TRP 21 Ca -0.06 -0.33 -0.20 0.00 2.66 0.00 0.00 56.10 58.17 1lud s TRP 21 Cb 0.07 -1.61 0.10 0.00 -3.10 0.00 0.00 33.47 28.94 1lud s TRP 21 CO 0.85 0.05 0.89 -1.58 -2.66 0.00 0.00 176.95 174.50 1lud s HIS 22 N -0.54 2.94 -0.33 1.66 2.46 -1.26 -4.98 115.29 115.24 1lud s HIS 22 Ca 0.07 -0.96 0.02 0.00 0.47 0.00 0.00 55.06 54.67 1lud s HIS 22 Cb -0.11 -4.16 0.09 0.00 -0.13 0.00 0.00 32.58 28.27 1lud s HIS 22 CO 0.01 -1.45 0.04 -1.17 -2.47 0.00 0.00 174.74 169.70 1lud s LEU 23 N 3.05 4.57 0.21 8.88 2.96 -1.26 -4.96 118.68 132.14 1lud s LEU 23 Ca 0.20 -1.96 -0.07 0.00 -0.22 0.00 0.00 54.13 52.08 1lud s LEU 23 Cb -0.17 -1.65 0.17 0.00 0.50 0.00 0.00 46.19 45.04 1lud s LEU 23 CO 0.04 -0.37 1.71 1.55 -1.32 0.00 0.00 176.35 177.96 1lud h PRO 24 N 7.73 1.04 0.00 0.98 0.14 -1.97 -2.38 132.00 137.54 1lud h PRO 24 Ca -0.09 -0.27 -0.03 0.00 0.14 0.00 0.00 66.00 65.75 1lud h PRO 24 Cb 1.03 -0.12 -0.00 0.00 0.14 0.00 0.00 31.00 32.04 1lud h PRO 24 CO 0.54 0.96 -0.15 0.22 0.14 0.00 0.00 178.00 179.71 1lud h ASP 25 N 0.97 0.00 -0.01 1.44 3.58 -1.95 -2.81 116.42 117.64 1lud h ASP 25 Ca 0.19 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.46 1lud h ASP 25 Cb 0.44 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.50 1lud h ASP 25 CO 0.01 0.15 -0.71 -0.78 -2.88 0.00 0.00 179.24 175.03 1lud h ASP 26 N 0.00 0.64 -0.34 2.28 3.58 -1.83 -2.96 116.42 117.79 1lud h ASP 26 Ca -0.00 -0.75 0.07 0.00 0.42 0.00 0.00 57.03 56.77 1lud h ASP 26 Cb 0.44 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 1lud h ASP 26 CO 0.02 1.30 -0.05 -0.07 -2.88 0.00 0.00 179.24 177.56 1lud h LEU 27 N 0.05 -0.24 -1.18 2.28 3.38 -1.34 0.11 115.31 118.36 1lud h LEU 27 Ca -0.09 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1lud h LEU 27 Cb 1.40 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.27 1lud h LEU 27 CO 0.14 -0.08 0.58 0.45 0.09 0.00 0.00 178.44 179.62 1lud h HIS 28 N 0.04 0.99 -0.52 1.13 3.86 -1.59 0.79 115.15 119.85 1lud h HIS 28 Ca 0.17 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1lud h HIS 28 Cb 0.24 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1lud h HIS 28 CO -0.28 0.49 0.09 -0.92 0.86 0.00 0.00 177.93 178.16 1lud h TYR 29 N 0.95 0.85 -0.06 2.45 3.20 -0.71 0.82 116.97 124.46 1lud h TYR 29 Ca 0.40 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1lud h TYR 29 Cb 0.29 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 1lud h TYR 29 CO -0.00 0.74 -0.02 0.35 -1.64 0.00 0.00 178.16 177.58 1lud h PHE 30 N 0.78 0.15 0.73 -3.82 3.57 0.12 -1.23 116.94 117.23 1lud h PHE 30 Ca 0.17 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1lud h PHE 30 Cb 0.35 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.06 1lud h PHE 30 CO 0.02 0.48 -0.35 -0.09 -2.23 0.00 0.00 178.31 176.14 1lud h ARG 31 N -0.23 -0.94 -1.02 1.11 2.43 -0.94 -2.31 114.38 112.47 1lud h ARG 31 Ca 0.02 0.06 0.26 0.00 -0.81 0.00 0.00 59.98 59.51 1lud h ARG 31 Cb 0.44 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 30.09 1lud h ARG 31 CO 0.01 -0.63 0.63 0.00 -1.51 0.00 0.00 179.97 178.47 1lud h ALA 32 N -1.37 1.97 0.00 2.80 0.00 -0.93 0.49 119.26 122.22 1lud h ALA 32 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lud h ALA 32 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1lud h ALA 32 CO 0.16 -0.42 0.00 1.96 0.00 0.00 0.00 179.25 180.95 1lud h GLN 33 N 0.51 0.00 -0.05 0.00 1.08 -1.07 -3.17 115.11 112.41 1lud h GLN 33 Ca 0.63 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.80 1lud h GLN 33 Cb 1.35 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.76 1lud h GLN 33 CO -0.41 0.00 -0.51 0.25 -0.95 0.00 0.00 178.83 177.21 1lud n THR 34 N -2.83 2.24 -2.67 -0.54 -2.24 0.16 -4.93 114.28 103.46 1lud n THR 34 Ca 0.02 -3.29 -0.43 0.00 -2.27 0.00 0.00 64.05 58.08 1lud n THR 34 Cb 0.33 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 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 -3.31 4.55 -0.02 2.28 -7.23 -0.80 -3.14 120.40 112.72 1lud s VAL 35 Ca 0.39 1.69 0.00 0.00 -1.81 0.00 0.00 61.98 62.25 1lud s VAL 35 Cb 0.37 -4.38 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1lud s VAL 35 CO -0.06 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 1lud n GLY 36 N 3.88 0.46 3.48 2.32 0.00 -1.26 -5.03 105.19 109.05 1lud n GLY 36 Ca 0.11 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.77 1.69 -0.11 1.61 1.02 -1.19 -4.31 119.74 117.68 1lud s LYS 37 Ca 0.00 -1.81 -0.30 0.00 0.02 0.00 0.00 55.97 53.88 1lud s LYS 37 Cb 0.00 -1.64 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 1lud s LYS 37 CO 0.00 0.23 1.08 0.42 -0.92 0.00 0.00 175.35 176.16 1lud s ILE 38 N -2.62 4.59 -0.38 2.17 1.01 -1.03 -3.28 121.20 121.66 1lud s ILE 38 Ca 0.30 1.88 -0.12 0.00 0.00 0.00 0.00 60.65 62.71 1lud s ILE 38 Cb -0.01 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.26 1lud s ILE 38 CO 0.15 -0.03 0.23 -0.32 0.00 0.00 0.00 174.94 174.97 1lud s MET 39 N 2.34 2.95 -0.34 2.79 1.75 0.45 -1.17 119.30 128.07 1lud s MET 39 Ca 0.50 -1.01 -0.20 0.00 -1.25 0.00 0.00 55.69 53.73 1lud s MET 39 Cb -0.20 -3.80 -0.00 0.00 2.84 0.00 0.00 34.83 33.67 1lud s MET 39 CO 0.17 -0.68 0.60 0.08 -0.65 0.00 0.00 175.02 174.54 1lud s VAL 40 N 1.61 4.94 -0.07 10.11 1.01 0.46 0.51 120.40 138.96 1lud s VAL 40 Ca 0.03 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.63 1lud s VAL 40 Cb -0.19 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1lud s VAL 40 CO 0.08 -0.23 -0.11 0.68 0.00 0.00 0.00 175.10 175.52 1lud s VAL 41 N 2.59 1.09 0.75 2.92 -7.23 -0.58 0.29 120.40 120.23 1lud s VAL 41 Ca 0.23 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.84 1lud s VAL 41 Cb -0.15 -1.02 0.05 0.00 0.56 0.00 0.00 36.38 35.82 1lud s VAL 41 CO 0.13 0.35 1.12 -0.83 -0.31 0.00 0.00 175.10 175.57 1lud s GLY 42 N 0.86 1.94 0.61 2.32 0.00 0.45 -1.55 107.32 111.93 1lud s GLY 42 Ca -0.11 0.50 0.27 0.00 0.00 0.00 0.00 44.72 45.38 1lud s GLY 42 CO 0.01 0.87 1.76 -0.09 0.00 0.00 0.00 173.10 175.66 1lud h ARG 43 N -0.74 0.00 -0.03 2.90 1.12 -0.29 -0.17 114.38 117.17 1lud h ARG 43 Ca -0.45 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.34 1lud h ARG 43 Cb 1.25 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1lud h ARG 43 CO 0.50 0.00 -0.29 0.00 -3.11 0.00 0.00 179.97 177.08 1lud h ARG 44 N 0.00 0.24 0.11 0.20 3.08 -1.89 -2.81 114.38 113.32 1lud h ARG 44 Ca 0.21 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1lud h ARG 44 Cb 1.40 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.51 1lud h ARG 44 CO -0.00 0.91 -0.05 1.15 -1.07 0.00 0.00 179.97 180.90 1lud h THR 45 N -0.34 1.10 -0.89 2.04 2.02 -1.40 -2.25 112.91 113.19 1lud h THR 45 Ca -0.03 -1.08 0.24 0.00 0.77 0.00 0.00 66.41 66.32 1lud h THR 45 Cb 0.99 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.10 1lud h THR 45 CO 0.06 0.25 0.63 0.22 0.37 0.00 0.00 175.52 177.04 1lud h TYR 46 N -0.67 0.18 0.00 3.16 3.20 -1.40 0.94 116.97 122.37 1lud h TYR 46 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1lud h TYR 46 Cb 0.52 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1lud h TYR 46 CO 0.08 0.04 -0.24 0.93 -1.64 0.00 0.00 178.16 177.34 1lud h GLU 47 N 0.13 0.00 0.00 1.82 5.08 -1.39 -3.28 114.58 116.93 1lud h GLU 47 Ca 0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.77 1lud h GLU 47 Cb 1.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1lud h GLU 47 CO -0.07 0.00 -1.90 0.43 -1.00 0.00 0.00 179.01 176.47 1lud n SER 48 N -2.79 0.12 -4.37 1.42 7.64 0.27 -4.98 113.62 110.93 1lud n SER 48 Ca 0.03 0.05 -0.36 0.00 1.01 0.00 0.00 58.87 59.60 1lud n SER 48 Cb 0.51 1.70 0.07 0.00 -1.01 0.00 0.00 64.21 65.47 1lud n SER 48 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1lud n PHE 49 N -2.36 -1.71 -0.06 1.43 3.72 0.19 -4.94 117.46 113.73 1lud n PHE 49 Ca -0.06 0.30 -0.04 0.00 -0.05 0.00 0.00 57.45 57.60 1lud n PHE 49 Cb 0.62 -1.81 -0.03 0.00 -0.94 0.00 0.00 39.48 37.32 1lud n PHE 49 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1lud h PRO 50 N -0.57 0.00 -4.72 -1.08 0.14 -1.92 -3.44 132.00 120.42 1lud h PRO 50 Ca -0.44 0.00 -0.67 0.00 0.14 0.00 0.00 66.00 65.03 1lud h PRO 50 Cb 1.35 0.00 -0.39 0.00 0.14 0.00 0.00 31.00 32.10 1lud h PRO 50 CO 0.39 0.17 -0.72 0.15 0.14 0.00 0.00 178.00 178.13 1lud s LYS 51 N -1.85 1.72 -0.03 0.86 1.02 -1.26 -5.09 119.74 115.11 1lud s LYS 51 Ca -0.08 -1.74 0.07 0.00 0.02 0.00 0.00 55.97 54.25 1lud s LYS 51 Cb 0.00 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1lud s LYS 51 CO 0.17 -0.86 -0.25 1.03 -0.92 0.00 0.00 175.35 174.53 1lud s ARG 52 N 0.98 2.23 0.75 1.68 3.00 -1.26 -4.16 118.95 122.17 1lud s ARG 52 Ca 0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 55.73 54.84 1lud s ARG 52 Cb -0.20 -2.10 0.12 0.00 0.00 0.00 0.00 34.95 32.78 1lud s ARG 52 CO -0.07 0.53 1.05 -1.25 0.00 0.00 0.00 175.30 175.56 1lud s PRO 53 N -0.53 1.64 0.54 3.54 0.04 -1.26 -5.13 135.00 133.83 1lud s PRO 53 Ca 0.08 -0.76 -0.17 0.00 0.04 0.00 0.00 61.00 60.19 1lud s PRO 53 Cb -0.11 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1lud s PRO 53 CO 0.00 -1.55 1.02 -0.51 0.04 0.00 0.00 177.00 176.01 1lud s LEU 54 N -5.29 3.61 0.08 -3.56 1.43 -1.26 -5.01 118.68 108.69 1lud s LEU 54 Ca 0.66 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 55.19 1lud s LEU 54 Cb -0.07 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.57 1lud s LEU 54 CO 0.46 -0.87 1.13 -2.16 0.23 0.00 0.00 176.35 175.14 1lud s PRO 55 N -3.91 4.50 -1.53 1.29 0.05 -1.26 -3.67 135.00 130.47 1lud s PRO 55 Ca 0.62 1.69 -0.15 0.00 0.05 0.00 0.00 61.00 63.21 1lud s PRO 55 Cb -0.14 -3.35 0.12 0.00 0.05 0.00 0.00 34.50 31.18 1lud s PRO 55 CO 0.31 -0.12 0.74 0.39 0.05 0.00 0.00 177.00 178.37 1lud n GLU 56 N 3.47 -3.73 -3.86 4.56 1.02 -1.26 -4.94 120.64 115.90 1lud n GLU 56 Ca 0.07 0.45 -0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1lud n GLU 56 Cb 0.47 -5.21 -0.14 0.00 -0.02 0.00 0.00 31.44 26.54 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 -6.58 0.02 -0.20 3.49 3.00 -1.24 -4.03 118.95 113.42 1lud s ARG 57 Ca 0.63 0.03 -0.28 0.00 0.00 0.00 0.00 55.73 56.11 1lud s ARG 57 Cb -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 34.95 34.62 1lud s ARG 57 CO 0.77 -0.01 0.97 0.99 0.00 0.00 0.00 175.30 178.03 1lud s THR 58 N 0.04 4.75 -0.07 0.02 2.01 -1.20 -4.66 115.64 116.54 1lud s THR 58 Ca -0.00 1.91 0.04 0.00 0.31 0.00 0.00 61.69 63.95 1lud s THR 58 Cb -0.01 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 1lud s THR 58 CO -0.00 -0.10 -0.21 0.20 -0.69 0.00 0.00 174.62 173.82 1lud s ASN 59 N 1.19 2.66 -0.05 3.53 0.02 -1.26 -0.41 114.94 120.62 1lud s ASN 59 Ca 0.43 -0.46 0.05 0.00 -1.02 0.00 0.00 52.86 51.86 1lud s ASN 59 Cb -0.16 -0.95 -0.01 0.00 0.02 0.00 0.00 41.25 40.16 1lud s ASN 59 CO 0.10 0.17 -0.20 -0.69 0.02 0.00 0.00 177.10 176.49 1lud s VAL 60 N 0.16 1.69 0.06 1.60 1.01 0.18 -0.86 120.40 124.24 1lud s VAL 60 Ca -0.10 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1lud s VAL 60 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1lud s VAL 60 CO 0.05 0.48 0.16 -0.69 0.00 0.00 0.00 175.10 175.10 1lud s VAL 61 N -0.07 5.06 -0.13 2.92 1.01 -0.84 -1.53 120.40 126.83 1lud s VAL 61 Ca -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1lud s VAL 61 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1lud s VAL 61 CO 0.03 0.14 -0.22 -0.76 0.00 0.00 0.00 175.10 174.29 1lud s LEU 62 N -2.43 2.08 0.10 3.92 1.02 -0.60 -1.85 118.68 120.92 1lud s LEU 62 Ca 0.32 -0.58 -0.12 0.00 0.02 0.00 0.00 54.13 53.77 1lud s LEU 62 Cb -0.13 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 44.69 1lud s LEU 62 CO 0.25 0.09 0.29 0.28 0.02 0.00 0.00 176.35 177.28 1lud s THR 63 N 0.74 0.11 -2.56 5.49 -1.32 -1.10 0.52 115.64 117.52 1lud s THR 63 Ca -0.09 -0.88 0.23 0.00 -1.21 0.00 0.00 61.69 59.74 1lud s THR 63 Cb -0.16 -1.24 0.39 0.00 -1.51 0.00 0.00 72.50 69.97 1lud s THR 63 CO 0.00 -0.49 1.42 1.41 -2.21 0.00 0.00 174.62 174.75 1lud n HIS 64 N -0.11 0.31 -2.31 9.09 8.25 -1.26 -4.31 115.22 124.87 1lud n HIS 64 Ca -0.16 -0.15 -0.26 0.00 -0.26 0.00 0.00 57.72 56.89 1lud n HIS 64 Cb 0.63 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.85 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 -1.69 1.64 -0.00 -0.41 1.11 -1.26 -5.02 119.66 114.02 1lud s GLN 65 Ca 0.35 -0.66 0.00 0.00 0.01 0.00 0.00 55.36 55.06 1lud s GLN 65 Cb 0.21 -2.17 -0.00 0.00 -1.01 0.00 0.00 33.01 30.03 1lud s GLN 65 CO 0.30 -1.57 0.02 -1.91 0.01 0.00 0.00 175.29 172.14 1lud n GLU 66 N -3.05 6.03 -0.69 2.91 2.13 -1.26 -4.63 120.64 122.08 1lud n GLU 66 Ca 0.12 -0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.97 1lud n GLU 66 Cb 0.60 -0.58 0.28 0.00 0.27 0.00 0.00 31.44 32.01 1lud n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1lud n ASP 67 N -1.07 4.10 -4.60 4.31 9.92 -1.26 -4.97 116.55 122.98 1lud n ASP 67 Ca 0.00 -3.18 -0.43 0.00 -0.53 0.00 0.00 54.79 50.65 1lud n ASP 67 Cb 0.01 -0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 39.83 1lud n ASP 67 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1lud s TYR 68 N -2.93 1.30 -0.37 1.24 5.04 -1.26 -4.93 117.35 115.43 1lud s TYR 68 Ca 0.47 0.58 -0.12 0.00 -2.44 0.00 0.00 57.07 55.56 1lud s TYR 68 Cb 0.38 -3.96 0.01 0.00 0.35 0.00 0.00 41.96 38.75 1lud s TYR 68 CO 0.09 -3.82 0.23 -0.65 -1.34 0.00 0.00 175.55 170.07 1lud s GLN 69 N 6.25 3.02 -0.35 4.97 -1.52 -1.26 -5.01 119.66 125.76 1lud s GLN 69 Ca 0.96 -0.96 -0.00 0.00 -1.95 0.00 0.00 55.36 53.41 1lud s GLN 69 Cb -0.30 -3.80 0.14 0.00 -0.22 0.00 0.00 33.01 28.83 1lud s GLN 69 CO 0.35 -0.65 0.21 0.00 -0.25 0.00 0.00 175.29 174.95 1lud s ALA 70 N 1.62 0.97 -0.01 6.09 0.00 -1.26 -5.11 121.76 124.06 1lud s ALA 70 Ca 0.04 -1.85 -0.30 0.00 0.00 0.00 0.00 51.96 49.84 1lud s ALA 70 Cb -0.19 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1lud s ALA 70 CO 0.08 -2.08 1.09 -0.65 0.00 0.00 0.00 175.76 174.20 1lud s GLN 71 N 1.09 4.46 0.00 0.00 -0.21 -1.26 -3.19 119.66 120.56 1lud s GLN 71 Ca 0.18 1.57 0.00 0.00 0.02 0.00 0.00 55.36 57.12 1lud s GLN 71 Cb -0.23 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.32 1lud s GLN 71 CO -0.01 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 1lud n GLY 72 N 3.11 2.52 3.55 3.09 0.00 -1.26 -5.02 105.19 111.19 1lud n GLY 72 Ca 0.08 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.63 2.88 0.92 4.61 0.00 -1.19 -4.90 121.76 122.45 1lud s ALA 73 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 1lud s ALA 73 Cb 0.00 -1.09 0.15 0.00 0.00 0.00 0.00 23.12 22.18 1lud s ALA 73 CO 0.00 0.58 1.13 0.08 0.00 0.00 0.00 175.76 177.56 1lud s VAL 74 N -0.86 2.14 -0.11 0.00 1.01 -0.04 -4.78 120.40 117.76 1lud s VAL 74 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1lud s VAL 74 Cb -0.11 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1lud s VAL 74 CO 0.03 -0.06 0.25 -0.69 0.00 0.00 0.00 175.10 174.64 1lud s VAL 75 N -2.65 -0.04 0.09 2.92 1.01 -1.26 -1.98 120.40 118.49 1lud s VAL 75 Ca 0.66 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 1lud s VAL 75 Cb -0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1lud s VAL 75 CO 0.58 0.06 0.10 0.68 0.00 0.00 0.00 175.10 176.52 1lud s VAL 76 N 1.26 0.15 -0.05 2.92 -7.23 -0.77 -4.93 120.40 111.75 1lud s VAL 76 Ca -0.09 -1.58 0.23 0.00 -1.81 0.00 0.00 61.98 58.73 1lud s VAL 76 Cb -0.10 -1.62 0.43 0.00 0.56 0.00 0.00 36.38 35.65 1lud s VAL 76 CO -0.09 -0.68 1.18 1.41 -0.31 0.00 0.00 175.10 176.61 1lud n HIS 77 N -0.03 0.07 -3.15 2.82 -0.00 -1.26 -2.69 115.22 110.97 1lud n HIS 77 Ca -0.12 -0.78 0.05 0.00 -0.00 0.00 0.00 57.72 56.88 1lud n HIS 77 Cb 0.62 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.99 30.43 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 -2.33 -0.85 0.54 0.41 2.15 -1.26 -4.91 116.67 110.41 1lud s ASP 78 Ca 0.35 0.47 0.45 0.00 0.43 0.00 0.00 52.55 54.25 1lud s ASP 78 Cb 0.38 1.69 1.66 0.00 -0.30 0.00 0.00 42.92 46.36 1lud s ASP 78 CO -0.14 -0.16 1.63 0.58 -0.17 0.00 0.00 175.17 176.91 1lud h VAL 79 N 5.55 0.11 -0.57 1.11 2.07 -1.99 0.59 116.25 123.11 1lud h VAL 79 Ca -0.16 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1lud h VAL 79 Cb 1.17 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1lud h VAL 79 CO 0.04 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.98 1lud h ALA 80 N 1.18 0.73 -0.24 1.67 0.00 -2.00 -0.65 119.26 119.95 1lud h ALA 80 Ca 0.85 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.71 1lud h ALA 80 Cb 3.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 20.92 1lud h ALA 80 CO -0.07 0.06 0.02 0.00 0.00 0.00 0.00 179.25 179.26 1lud h ALA 81 N 1.25 0.32 -0.70 0.00 0.00 -0.22 -2.82 119.26 117.08 1lud h ALA 81 Ca 0.23 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1lud h ALA 81 Cb 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1lud h ALA 81 CO -0.10 0.01 0.39 0.28 0.00 0.00 0.00 179.25 179.83 1lud h VAL 82 N 0.19 0.95 -0.16 0.00 2.07 -1.33 -0.27 116.25 117.70 1lud h VAL 82 Ca 0.07 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1lud h VAL 82 Cb 0.36 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1lud h VAL 82 CO 0.01 0.13 0.11 -0.26 0.02 0.00 0.00 177.57 177.57 1lud h PHE 83 N 0.71 0.13 0.43 1.57 0.04 -0.97 -2.78 116.94 116.07 1lud h PHE 83 Ca 0.32 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.07 1lud h PHE 83 Cb 0.22 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1lud h PHE 83 CO -0.08 0.08 -0.21 0.00 -0.60 0.00 0.00 178.31 177.50 1lud h ALA 84 N 1.91 -0.58 -0.58 2.45 0.00 -0.80 -2.84 119.26 118.82 1lud h ALA 84 Ca 0.06 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1lud h ALA 84 Cb 0.09 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1lud h ALA 84 CO -0.01 -0.66 -0.42 -0.92 0.00 0.00 0.00 179.25 177.23 1lud h TYR 85 N -0.91 -1.23 -0.69 0.00 3.20 -1.23 0.67 116.97 116.78 1lud h TYR 85 Ca -0.06 0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1lud h TYR 85 Cb 0.57 0.62 -0.06 0.00 1.54 0.00 0.00 36.73 39.39 1lud h TYR 85 CO 0.01 -0.42 0.36 0.00 -1.64 0.00 0.00 178.16 176.48 1lud h ALA 86 N 0.67 0.94 0.00 1.82 0.00 -1.61 0.40 119.26 121.49 1lud h ALA 86 Ca 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1lud h ALA 86 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1lud h ALA 86 CO -0.69 -0.01 -0.11 0.87 0.00 0.00 0.00 179.25 179.32 1lud h LYS 87 N 0.64 0.00 0.00 0.00 1.79 -0.79 -2.24 116.57 115.97 1lud h LYS 87 Ca 0.33 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1lud h LYS 87 Cb 0.29 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1lud h LYS 87 CO -0.23 0.11 -1.16 1.04 -1.08 0.00 0.00 179.45 178.13 1lud n GLN 88 N -3.88 0.61 -3.36 3.15 3.00 0.52 -4.81 117.38 112.61 1lud n GLN 88 Ca -0.02 0.08 -0.40 0.00 -0.01 0.00 0.00 57.00 56.65 1lud n GLN 88 Cb 0.20 -1.78 -0.09 0.00 0.00 0.00 0.00 30.24 28.57 1lud n GLN 88 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lud s HIS 89 N -3.38 3.24 -2.12 1.08 3.76 0.11 -4.92 115.29 113.05 1lud s HIS 89 Ca -0.02 0.36 0.25 0.00 -0.15 0.00 0.00 55.06 55.50 1lud s HIS 89 Cb 0.10 -2.64 1.33 0.00 1.11 0.00 0.00 32.58 32.49 1lud s HIS 89 CO 0.81 -0.29 1.88 -0.35 -0.85 0.00 0.00 174.74 175.93 1lud n PRO 90 N 5.41 1.21 -0.08 8.40 -0.04 -1.26 -3.59 135.00 145.05 1lud n PRO 90 Ca -0.08 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 1lud n PRO 90 Cb 0.50 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1lud n PRO 90 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1lud n ASP 91 N -0.56 0.00 -3.42 3.54 2.03 -1.26 -5.01 116.55 111.88 1lud n ASP 91 Ca 0.19 -1.14 -0.17 0.00 0.52 0.00 0.00 54.79 54.18 1lud n ASP 91 Cb 0.16 -0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.43 1lud n ASP 91 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1lud s GLN 92 N 0.00 0.30 0.00 -0.67 0.74 -1.24 -4.68 119.66 114.11 1lud s GLN 92 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.35 1lud s GLN 92 Cb 0.00 -0.75 0.00 0.00 1.10 0.00 0.00 33.01 33.36 1lud s GLN 92 CO 0.00 -0.94 0.00 0.39 -0.55 0.00 0.00 175.29 174.19 1lud n GLU 93 N 5.31 1.12 -3.58 1.67 1.02 -1.26 -4.47 120.64 120.44 1lud n GLU 93 Ca -0.03 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.72 1lud n GLU 93 Cb 0.47 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.78 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 4.26 -0.10 -4.62 2.96 -1.26 -2.48 118.68 117.44 1lud s LEU 94 Ca 0.00 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1lud s LEU 94 Cb 0.00 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1lud s LEU 94 CO 0.00 -0.17 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.95 1lud s VAL 95 N 1.70 1.88 0.20 1.68 1.01 -0.32 0.28 120.40 126.84 1lud s VAL 95 Ca 0.06 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1lud s VAL 95 Cb -0.17 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 1lud s VAL 95 CO 0.09 0.52 0.67 -0.63 0.00 0.00 0.00 175.10 175.76 1lud s ILE 96 N 0.47 4.66 0.00 2.22 -1.09 0.44 -0.41 121.20 127.49 1lud s ILE 96 Ca -0.17 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 1lud s ILE 96 Cb -0.17 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1lud s ILE 96 CO 0.07 0.20 0.29 0.00 -1.23 0.00 0.00 174.94 174.27 1lud n ALA 97 N 0.70 1.64 0.00 9.38 0.00 0.14 -2.18 120.51 130.19 1lud n ALA 97 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1lud n ALA 97 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.09 -1.82 0.00 0.00 0.00 -1.12 -4.89 105.19 97.45 1lud n GLY 98 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.59 0.35 -0.02 0.00 -1.26 -0.41 105.19 103.25 1lud n GLY 99 Ca 0.00 -1.17 -0.05 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 1.11 -0.92 4.61 0.00 -1.93 -2.44 119.26 117.68 1lud h ALA 100 Ca 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1lud h ALA 100 Cb 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1lud h ALA 100 CO 0.00 0.67 0.60 1.96 0.00 0.00 0.00 179.25 182.47 1lud h GLN 101 N 1.22 0.98 0.00 0.00 1.08 -1.96 -1.36 115.11 115.07 1lud h GLN 101 Ca 0.29 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.33 1lud h GLN 101 Cb 0.12 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1lud h GLN 101 CO -0.04 0.65 -0.49 0.82 -0.95 0.00 0.00 178.83 178.82 1lud h ILE 102 N 1.01 0.91 0.00 2.54 1.08 -1.68 -3.06 117.51 118.32 1lud h ILE 102 Ca 0.41 -2.04 -0.05 0.00 -0.39 0.00 0.00 64.86 62.79 1lud h ILE 102 Cb 0.27 2.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 1lud h ILE 102 CO -0.16 0.48 -0.22 -0.26 -0.69 0.00 0.00 178.15 177.29 1lud h PHE 103 N 0.00 0.00 0.00 1.37 0.04 -0.90 -3.00 116.94 114.45 1lud h PHE 103 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1lud h PHE 103 Cb 1.24 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.38 1lud h PHE 103 CO 0.00 0.22 -0.12 1.15 -0.60 0.00 0.00 178.31 178.95 1lud h THR 104 N 0.00 1.67 -0.16 -1.55 2.02 -1.34 -1.39 112.91 112.16 1lud h THR 104 Ca -0.00 -2.30 0.02 0.00 0.77 0.00 0.00 66.41 64.90 1lud h THR 104 Cb 0.84 3.20 -0.01 0.00 -1.74 0.00 0.00 68.15 70.44 1lud h THR 104 CO 0.03 0.57 0.11 0.00 0.37 0.00 0.00 175.52 176.59 1lud h ALA 105 N -0.07 1.97 -0.02 6.16 0.00 -1.60 -1.82 119.26 123.88 1lud h ALA 105 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1lud h ALA 105 Cb 1.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1lud h ALA 105 CO -0.02 0.00 -0.42 1.19 0.00 0.00 0.00 179.25 180.01 1lud n PHE 106 N -4.51 0.00 -0.31 0.00 3.01 -1.13 -4.45 117.46 110.06 1lud n PHE 106 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1lud n PHE 106 Cb 0.14 -0.01 0.35 0.00 -0.01 0.00 0.00 39.48 39.94 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 2.53 0.73 -0.34 -1.08 2.10 -0.34 -1.45 116.57 118.71 1lud h LYS 107 Ca 0.00 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 58.45 1lud h LYS 107 Cb 0.76 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 1lud h LYS 107 CO 0.00 0.48 -0.41 0.22 -2.00 0.00 0.00 179.45 177.74 1lud h ASP 108 N 0.75 0.91 -3.80 7.07 3.58 -1.78 -3.36 116.42 119.78 1lud h ASP 108 Ca 0.50 -0.42 -0.78 0.00 0.42 0.00 0.00 57.03 56.75 1lud h ASP 108 Cb 0.78 -0.26 -0.27 0.00 1.72 0.00 0.00 39.33 41.31 1lud h ASP 108 CO -0.27 1.19 0.13 -1.81 -2.88 0.00 0.00 179.24 175.60 1lud s ASP 109 N -6.86 6.74 0.10 2.28 1.01 -0.55 -5.03 116.67 114.38 1lud s ASP 109 Ca -0.10 -2.89 0.09 0.00 0.71 0.00 0.00 52.55 50.35 1lud s ASP 109 Cb 0.11 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 1lud s ASP 109 CO 0.87 -0.50 -0.22 -0.69 0.21 0.00 0.00 175.17 174.84 1lud s VAL 110 N -0.15 1.82 0.00 -1.27 1.01 -1.25 -4.83 120.40 115.73 1lud s VAL 110 Ca 0.20 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1lud s VAL 110 Cb -0.11 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1lud s VAL 110 CO -0.09 -0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.34 1lud n ASP 111 N 1.11 1.92 -3.81 3.32 -0.08 0.27 -4.86 116.55 114.42 1lud n ASP 111 Ca -0.19 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 52.95 1lud n ASP 111 Cb 0.53 0.10 -0.15 0.00 2.34 0.00 0.00 41.12 43.94 1lud n ASP 111 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1lud s THR 112 N -1.43 -0.03 -0.13 5.18 2.01 -1.02 -2.44 115.64 117.79 1lud s THR 112 Ca 0.00 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1lud s THR 112 Cb 0.00 -0.08 -0.01 0.00 0.01 0.00 0.00 72.50 72.42 1lud s THR 112 CO 0.00 0.05 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.06 1lud s LEU 113 N 0.64 2.53 -0.29 4.42 1.43 -0.92 0.12 118.68 126.61 1lud s LEU 113 Ca -0.05 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1lud s LEU 113 Cb -0.07 -1.56 0.08 0.00 0.03 0.00 0.00 46.19 44.67 1lud s LEU 113 CO -0.02 0.15 0.02 -0.76 0.23 0.00 0.00 176.35 175.97 1lud s LEU 114 N 0.43 3.14 -0.02 1.79 1.43 0.35 0.39 118.68 126.19 1lud s LEU 114 Ca -0.12 -1.61 0.08 0.00 -1.03 0.00 0.00 54.13 51.45 1lud s LEU 114 Cb -0.16 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 1lud s LEU 114 CO 0.06 -0.33 -0.26 0.54 0.23 0.00 0.00 176.35 176.58 1lud s VAL 115 N 1.31 2.05 -0.32 -1.59 0.11 -0.30 -1.08 120.40 120.58 1lud s VAL 115 Ca 0.04 -1.11 -0.08 0.00 -2.93 0.00 0.00 61.98 57.90 1lud s VAL 115 Cb -0.18 -1.70 0.02 0.00 -1.53 0.00 0.00 36.38 32.98 1lud s VAL 115 CO -0.12 0.58 0.12 -0.89 -3.33 0.00 0.00 175.10 171.46 1lud s THR 116 N -0.61 4.10 -0.36 5.04 2.01 -0.92 -0.56 115.64 124.35 1lud s THR 116 Ca 0.10 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 1lud s THR 116 Cb -0.10 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 1lud s THR 116 CO -0.01 -0.05 0.40 -0.13 -0.69 0.00 0.00 174.62 174.14 1lud s ARG 117 N 1.50 3.50 0.51 4.92 0.52 -0.76 0.12 118.95 129.25 1lud s ARG 117 Ca 0.02 -0.43 -0.09 0.00 -0.52 0.00 0.00 55.73 54.70 1lud s ARG 117 Cb -0.18 -3.83 -0.05 0.00 0.52 0.00 0.00 34.95 31.41 1lud s ARG 117 CO 0.04 -0.60 0.87 -0.51 0.02 0.00 0.00 175.30 175.12 1lud s LEU 118 N 2.09 3.56 0.13 2.53 1.02 -0.51 -1.65 118.68 125.85 1lud s LEU 118 Ca 0.13 1.18 0.11 0.00 0.02 0.00 0.00 54.13 55.57 1lud s LEU 118 Cb -0.16 -4.15 -0.14 0.00 0.02 0.00 0.00 46.19 41.76 1lud s LEU 118 CO 0.12 -0.62 1.17 0.00 0.02 0.00 0.00 176.35 177.04 1lud h ALA 119 N 0.38 0.53 -2.44 4.21 0.00 -1.21 -2.92 119.26 117.81 1lud h ALA 119 Ca -0.46 -0.88 -0.47 0.00 0.00 0.00 0.00 54.91 53.10 1lud h ALA 119 Cb 1.19 0.01 0.13 0.00 0.00 0.00 0.00 17.79 19.12 1lud h ALA 119 CO 0.62 1.12 0.30 0.20 0.00 0.00 0.00 179.25 181.49 1lud s GLY 120 N -4.72 1.59 -0.15 0.00 0.00 -1.17 -4.74 107.32 98.14 1lud s GLY 120 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1lud s GLY 120 CO 0.80 0.14 -0.12 -1.35 0.00 0.00 0.00 173.10 172.57 1lud s SER 121 N -3.90 2.64 0.30 1.64 1.04 -1.26 -3.23 113.70 110.93 1lud s SER 121 Ca 0.63 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 56.66 1lud s SER 121 Cb -0.15 -1.10 -0.05 0.00 0.10 0.00 0.00 66.02 64.82 1lud s SER 121 CO 0.54 -0.08 0.04 -0.36 0.98 0.00 0.00 173.24 174.36 1lud s PHE 122 N 1.53 2.66 0.34 5.02 0.40 -1.26 -5.06 117.98 121.62 1lud s PHE 122 Ca 0.04 -0.32 0.09 0.00 -0.60 0.00 0.00 56.93 56.15 1lud s PHE 122 Cb -0.13 -1.38 -0.06 0.00 0.51 0.00 0.00 43.02 41.96 1lud s PHE 122 CO -0.10 0.51 -0.01 -1.83 0.70 0.00 0.00 175.22 174.49 1lud s GLU 123 N -3.73 2.02 0.00 0.44 -1.05 -1.26 -4.85 118.70 110.27 1lud s GLU 123 Ca 0.34 -1.80 0.00 0.00 -0.15 0.00 0.00 54.97 53.36 1lud s GLU 123 Cb -0.04 -1.87 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 1lud s GLU 123 CO 0.21 0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.95 1lud n GLY 124 N -0.92 -0.77 0.00 -3.83 0.00 -1.26 -4.90 105.19 93.50 1lud n GLY 124 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.30 -4.35 1.61 9.92 -1.26 -5.03 116.55 117.73 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 0.12 -0.14 0.00 -0.64 0.00 0.00 41.12 40.46 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 -0.17 3.56 0.28 -3.53 2.01 -1.26 -5.10 115.64 111.42 1lud s THR 126 Ca 0.00 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1lud s THR 126 Cb 0.00 -2.62 -0.06 0.00 0.01 0.00 0.00 72.50 69.84 1lud s THR 126 CO 0.00 0.42 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.79 1lud s LYS 127 N 1.34 1.53 0.77 4.92 1.02 -1.26 -3.24 119.74 124.82 1lud s LYS 127 Ca 0.04 -1.79 -0.13 0.00 0.02 0.00 0.00 55.97 54.11 1lud s LYS 127 Cb -0.14 -0.97 0.06 0.00 -0.52 0.00 0.00 37.83 36.26 1lud s LYS 127 CO -0.01 -0.05 1.18 1.41 -0.92 0.00 0.00 175.35 176.96 1lud s MET 128 N -3.80 1.93 0.90 1.68 1.75 -1.21 -4.86 119.30 115.68 1lud s MET 128 Ca 0.31 1.63 -0.12 0.00 -1.25 0.00 0.00 55.69 56.26 1lud s MET 128 Cb 0.05 -1.82 0.13 0.00 2.84 0.00 0.00 34.83 36.04 1lud s MET 128 CO 0.12 -1.97 1.14 0.96 -0.65 0.00 0.00 175.02 174.61 1lud s ILE 129 N -2.25 2.07 -0.69 10.11 -4.36 -1.26 -4.95 121.20 119.86 1lud s ILE 129 Ca 0.71 0.02 -0.27 0.00 -0.26 0.00 0.00 60.65 60.85 1lud s ILE 129 Cb -0.26 -2.77 0.01 0.00 1.25 0.00 0.00 42.46 40.69 1lud s ILE 129 CO 0.49 -0.03 1.50 -2.16 0.24 0.00 0.00 174.94 174.98 1lud s PRO 130 N -5.27 2.98 0.38 0.37 0.05 -1.26 -5.02 135.00 127.22 1lud s PRO 130 Ca 0.64 0.07 -0.04 0.00 0.05 0.00 0.00 61.00 61.72 1lud s PRO 130 Cb -0.15 -4.26 -0.04 0.00 0.05 0.00 0.00 34.50 30.10 1lud s PRO 130 CO 0.53 -2.37 0.64 -0.51 0.05 0.00 0.00 177.00 175.34 1lud s LEU 131 N 7.00 3.89 -1.20 -3.56 1.43 -1.26 -5.00 118.68 119.97 1lud s LEU 131 Ca 0.47 0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 1lud s LEU 131 Cb -0.10 -3.61 0.22 0.00 0.03 0.00 0.00 46.19 42.73 1lud s LEU 131 CO 0.17 -0.36 1.84 -3.20 0.23 0.00 0.00 176.35 175.02 1lud n ASN 132 N -1.63 6.16 -0.22 2.29 5.15 -1.26 -4.79 115.26 120.96 1lud n ASN 132 Ca -0.02 -3.26 0.26 0.00 -0.60 0.00 0.00 54.58 50.97 1lud n ASN 132 Cb 0.55 -1.37 0.66 0.00 -0.53 0.00 0.00 39.78 39.09 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 5.33 0.19 0.00 1.20 4.06 -1.94 0.38 115.95 125.16 1lud h TRP 133 Ca 0.40 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.31 1lud h TRP 133 Cb 0.54 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 1lud h TRP 133 CO 1.24 0.04 -0.18 0.22 -3.56 0.00 0.00 178.44 176.20 1lud h ASP 134 N 0.13 0.00 0.71 -3.49 1.82 -2.05 -2.05 116.42 111.49 1lud h ASP 134 Ca 0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1lud h ASP 134 Cb 1.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.62 1lud h ASP 134 CO -0.07 0.18 -0.56 0.47 -1.61 0.00 0.00 179.24 177.65 1lud n ASP 135 N -3.90 0.58 -4.70 2.28 9.92 0.13 -4.89 116.55 115.96 1lud n ASP 135 Ca -0.02 -0.02 -0.24 0.00 -0.53 0.00 0.00 54.79 53.98 1lud n ASP 135 Cb 0.27 0.19 -0.07 0.00 -0.64 0.00 0.00 41.12 40.86 1lud n ASP 135 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1lud s PHE 136 N -3.09 2.62 -0.03 1.24 0.40 -0.77 -4.18 117.98 114.17 1lud s PHE 136 Ca 0.08 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1lud s PHE 136 Cb 0.15 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1lud s PHE 136 CO 0.71 0.32 -0.03 0.99 0.70 0.00 0.00 175.22 177.91 1lud s THR 137 N -2.53 0.34 -0.09 0.64 2.01 -1.11 -4.88 115.64 110.02 1lud s THR 137 Ca 0.38 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 1lud s THR 137 Cb 0.01 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1lud s THR 137 CO 0.22 0.16 1.49 -0.75 -0.69 0.00 0.00 174.62 175.05 1lud s LYS 138 N 0.71 4.21 0.00 4.92 2.20 -1.26 -1.74 119.74 128.78 1lud s LYS 138 Ca -0.08 1.98 0.19 0.00 -0.36 0.00 0.00 55.97 57.70 1lud s LYS 138 Cb -0.11 -3.88 -0.20 0.00 -1.51 0.00 0.00 37.83 32.13 1lud s LYS 138 CO -0.01 -0.78 0.61 1.33 -0.36 0.00 0.00 175.35 176.14 1lud n VAL 139 N 5.40 0.82 -3.80 4.02 0.24 0.30 -4.93 118.33 120.37 1lud n VAL 139 Ca 0.16 -0.65 -0.13 0.00 -2.04 0.00 0.00 64.34 61.68 1lud n VAL 139 Cb 0.44 -0.42 -0.12 0.00 -1.47 0.00 0.00 33.84 32.26 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 -5.31 -0.19 -0.11 -1.34 0.01 -1.13 -5.04 113.70 100.59 1lud s SER 140 Ca -0.05 0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.52 1lud s SER 140 Cb 0.10 0.36 0.04 0.00 0.21 0.00 0.00 66.02 66.73 1lud s SER 140 CO 0.84 -0.08 0.27 -0.94 0.41 0.00 0.00 173.24 173.74 1lud s SER 141 N 0.25 -0.29 -0.06 2.44 1.04 -1.26 -0.79 113.70 115.03 1lud s SER 141 Ca -0.01 0.56 0.02 0.00 0.48 0.00 0.00 55.95 57.00 1lud s SER 141 Cb -0.03 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1lud s SER 141 CO -0.01 -0.15 -0.10 -0.60 0.98 0.00 0.00 173.24 173.36 1lud s ARG 142 N 1.02 1.49 -0.14 4.02 3.52 -0.77 -4.96 118.95 123.14 1lud s ARG 142 Ca -0.07 -0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1lud s ARG 142 Cb -0.08 -1.27 -0.03 0.00 -1.56 0.00 0.00 34.95 32.01 1lud s ARG 142 CO -0.07 0.00 -0.04 0.99 -0.81 0.00 0.00 175.30 175.38 1lud s THR 143 N 0.71 3.92 -0.06 4.11 2.01 -1.26 -0.16 115.64 124.91 1lud s THR 143 Ca -0.14 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1lud s THR 143 Cb -0.15 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.67 1lud s THR 143 CO 0.03 0.52 -0.13 0.54 -0.69 0.00 0.00 174.62 174.89 1lud s VAL 144 N 0.06 1.21 0.48 3.82 0.11 -0.76 -5.01 120.40 120.31 1lud s VAL 144 Ca -0.00 -0.53 -0.05 0.00 -2.93 0.00 0.00 61.98 58.47 1lud s VAL 144 Cb -0.13 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 1lud s VAL 144 CO 0.03 0.37 0.77 -1.83 -3.33 0.00 0.00 175.10 171.11 1lud s GLU 145 N 0.56 3.50 0.05 1.54 -1.05 -1.26 -2.87 118.70 119.17 1lud s GLU 145 Ca -0.13 0.14 -0.02 0.00 -0.15 0.00 0.00 54.97 54.81 1lud s GLU 145 Cb -0.15 -2.40 -0.03 0.00 -0.44 0.00 0.00 34.13 31.11 1lud s GLU 145 CO 0.04 -0.20 -0.01 0.34 0.95 0.00 0.00 175.26 176.38 1lud s ASP 146 N -4.11 0.41 0.28 0.83 -1.08 -1.26 -4.95 116.67 106.78 1lud s ASP 146 Ca 0.47 -0.87 0.18 0.00 -0.52 0.00 0.00 52.55 51.81 1lud s ASP 146 Cb -0.10 0.19 0.97 0.00 -1.46 0.00 0.00 42.92 42.53 1lud s ASP 146 CO 0.44 -0.55 1.54 0.35 0.52 0.00 0.00 175.17 177.46 1lud n THR 147 N 0.38 1.13 -4.06 1.71 -2.24 -1.26 -4.34 114.28 105.61 1lud n THR 147 Ca -0.16 0.71 -0.35 0.00 -2.27 0.00 0.00 64.05 61.98 1lud n THR 147 Cb 0.60 -1.71 -0.14 0.00 -2.10 0.00 0.00 70.33 66.99 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 -3.83 4.42 0.25 3.42 2.47 -1.26 -5.00 114.94 115.41 1lud s ASN 148 Ca -0.02 -0.33 -0.05 0.00 0.42 0.00 0.00 52.86 52.89 1lud s ASN 148 Cb 0.05 -1.75 0.50 0.00 -1.45 0.00 0.00 41.25 38.60 1lud s ASN 148 CO 0.16 0.03 1.65 -0.65 -3.72 0.00 0.00 177.10 174.57 1lud h PRO 149 N 7.77 0.15 0.12 0.43 0.10 -1.99 -1.18 132.00 137.40 1lud h PRO 149 Ca -0.38 -0.01 -0.27 0.00 0.10 0.00 0.00 66.00 65.44 1lud h PRO 149 Cb 1.17 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.24 1lud h PRO 149 CO 0.60 0.10 -1.26 0.00 0.10 0.00 0.00 178.00 177.54 1lud h ALA 150 N 1.70 0.13 0.00 -0.75 0.00 -1.93 -3.22 119.26 115.19 1lud h ALA 150 Ca 0.44 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1lud h ALA 150 Cb 0.80 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1lud h ALA 150 CO -0.63 1.01 0.00 1.28 0.00 0.00 0.00 179.25 180.90 1lud n LEU 151 N -3.51 0.00 -4.79 0.00 4.77 -0.50 -3.07 117.00 109.90 1lud n LEU 151 Ca -0.09 0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 1lud n LEU 151 Cb 1.02 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 42.00 1lud n LEU 151 CO 0.53 -0.05 0.73 -0.89 -1.33 0.00 0.00 177.39 176.38 1lud s THR 152 N -2.19 3.69 0.09 -5.08 2.01 -0.88 -4.73 115.64 108.54 1lud s THR 152 Ca 0.20 0.95 -0.26 0.00 0.31 0.00 0.00 61.69 62.89 1lud s THR 152 Cb 0.10 -3.39 0.09 0.00 0.01 0.00 0.00 72.50 69.31 1lud s THR 152 CO 0.19 -0.32 1.14 -1.38 -0.69 0.00 0.00 174.62 173.55 1lud s HIS 153 N -2.12 -0.01 0.10 4.92 -3.43 -1.14 -1.06 115.29 112.55 1lud s HIS 153 Ca 0.67 -0.24 0.04 0.00 -0.80 0.00 0.00 55.06 54.73 1lud s HIS 153 Cb -0.17 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 1lud s HIS 153 CO 0.27 -0.60 -0.10 0.99 -2.00 0.00 0.00 174.74 173.30 1lud s THR 154 N -2.45 0.96 -0.18 -5.38 2.01 -0.66 -1.84 115.64 108.10 1lud s THR 154 Ca 0.19 -1.66 -0.04 0.00 0.31 0.00 0.00 61.69 60.49 1lud s THR 154 Cb 0.00 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1lud s THR 154 CO 0.01 -0.56 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.04 1lud s TYR 155 N -2.47 3.00 -0.18 4.92 2.02 0.78 -1.83 117.35 123.59 1lud s TYR 155 Ca 0.06 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 1lud s TYR 155 Cb -0.03 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 1lud s TYR 155 CO 0.00 -0.22 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.42 1lud s GLU 156 N 0.82 3.19 -0.17 -0.62 8.01 0.27 -1.85 118.70 128.35 1lud s GLU 156 Ca -0.01 -0.74 -0.02 0.00 0.01 0.00 0.00 54.97 54.22 1lud s GLU 156 Cb -0.14 -2.72 -0.01 0.00 -4.31 0.00 0.00 34.13 26.94 1lud s GLU 156 CO 0.02 -0.12 -0.10 0.08 0.01 0.00 0.00 175.26 175.15 1lud s VAL 157 N 1.16 3.18 0.34 2.63 1.01 0.03 -1.15 120.40 127.60 1lud s VAL 157 Ca 0.01 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.49 1lud s VAL 157 Cb -0.14 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1lud s VAL 157 CO -0.05 0.49 0.01 0.26 0.00 0.00 0.00 175.10 175.80 1lud s TRP 158 N 0.80 2.54 0.01 5.22 0.52 0.16 -0.54 118.94 127.66 1lud s TRP 158 Ca -0.04 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.66 1lud s TRP 158 Cb -0.15 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 1lud s TRP 158 CO 0.01 0.48 -0.04 -0.65 0.02 0.00 0.00 176.95 176.77 1lud s GLN 159 N -3.71 0.33 0.02 4.98 -1.52 -0.71 -2.16 119.66 116.88 1lud s GLN 159 Ca 0.35 -0.39 -0.28 0.00 -1.95 0.00 0.00 55.36 53.08 1lud s GLN 159 Cb 0.00 -0.16 -0.04 0.00 -0.22 0.00 0.00 33.01 32.59 1lud s GLN 159 CO 0.19 0.03 0.91 0.21 -0.25 0.00 0.00 175.29 176.38 1lud s LYS 160 N -0.78 4.57 0.59 2.91 2.20 -1.02 -2.77 119.74 125.44 1lud s LYS 160 Ca -0.06 1.30 -0.09 0.00 -0.36 0.00 0.00 55.97 56.76 1lud s LYS 160 Cb -0.05 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1lud s LYS 160 CO -0.00 0.07 0.97 0.15 -0.36 0.00 0.00 175.35 176.18 1lud s LYS 161 N 0.61 3.49 0.00 4.03 -0.14 -1.26 -5.02 119.74 121.45 1lud s LYS 161 Ca 0.47 0.56 0.00 0.00 -1.36 0.00 0.00 55.97 55.64 1lud s LYS 161 Cb -0.21 -2.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 1lud s LYS 161 CO 0.26 -0.53 0.42 0.00 -0.76 0.00 0.00 175.35 174.74