#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 1.40 -0.12 2.41 0.00 0.04 0.14 121.76 125.63 1lud s ALA 2 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 1lud s ALA 2 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1lud s ALA 2 CO 0.00 0.14 0.04 -0.06 0.00 0.00 0.00 175.76 175.88 1lud s PHE 3 N -1.78 3.25 -0.39 0.00 0.40 0.13 0.12 117.98 119.71 1lud s PHE 3 Ca 0.05 0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.57 1lud s PHE 3 Cb -0.07 -1.91 0.13 0.00 0.51 0.00 0.00 43.02 41.69 1lud s PHE 3 CO 0.03 0.39 0.22 -1.17 0.70 0.00 0.00 175.22 175.38 1lud s LEU 4 N -0.46 1.93 -0.01 -0.37 2.96 -0.85 0.13 118.68 122.01 1lud s LEU 4 Ca 0.09 -2.37 0.02 0.00 -0.22 0.00 0.00 54.13 51.66 1lud s LEU 4 Cb -0.12 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.81 1lud s LEU 4 CO 0.02 -0.30 -0.07 -1.66 -1.32 0.00 0.00 176.35 173.02 1lud s TRP 5 N 0.75 0.73 -0.19 5.38 -2.14 -0.86 -4.59 118.94 118.02 1lud s TRP 5 Ca 0.17 -0.15 -0.14 0.00 2.66 0.00 0.00 56.10 58.64 1lud s TRP 5 Cb -0.23 -0.50 -0.04 0.00 -3.10 0.00 0.00 33.47 29.59 1lud s TRP 5 CO -0.01 -0.04 0.32 0.00 -2.66 0.00 0.00 176.95 174.56 1lud s ALA 6 N -0.00 3.58 0.15 2.67 0.00 -1.26 -2.53 121.76 124.36 1lud s ALA 6 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.48 1lud s ALA 6 Cb -0.05 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1lud s ALA 6 CO -0.00 -0.13 -0.15 1.14 0.00 0.00 0.00 175.76 176.62 1lud s GLN 7 N 0.95 1.13 0.00 0.00 -2.07 0.13 -4.54 119.66 115.26 1lud s GLN 7 Ca 0.16 -1.35 0.00 0.00 -1.82 0.00 0.00 55.36 52.36 1lud s GLN 7 Cb -0.14 -1.01 0.00 0.00 -1.09 0.00 0.00 33.01 30.77 1lud s GLN 7 CO 0.06 0.19 0.00 -0.40 -1.32 0.00 0.00 175.29 173.82 1lud n ASP 8 N 0.28 0.00 -0.37 12.60 5.75 -1.22 -1.76 116.55 131.82 1lud n ASP 8 Ca -0.13 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1lud n ASP 8 Cb 0.58 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.81 1lud n ASP 8 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1lud h ARG 9 N 0.00 1.23 0.00 0.11 -0.00 -1.49 -1.49 114.38 112.73 1lud h ARG 9 Ca 0.00 -0.07 -0.12 0.00 -0.00 0.00 0.00 59.98 59.79 1lud h ARG 9 Cb 0.00 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.97 29.68 1lud h ARG 9 CO 0.00 0.81 -0.55 -0.44 -0.00 0.00 0.00 179.97 179.79 1lud h ASP 10 N 1.27 0.00 0.00 0.08 3.32 -1.90 -3.47 116.42 115.72 1lud h ASP 10 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1lud h ASP 10 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1lud h ASP 10 CO -0.13 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 1lud n GLY 11 N 0.39 1.09 3.90 2.75 0.00 -0.56 -5.05 105.19 107.70 1lud n GLY 11 Ca -0.01 0.00 -0.28 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 3.08 0.00 0.99 2.96 -1.26 -2.93 118.68 121.52 1lud s LEU 12 Ca 0.00 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.82 1lud s LEU 12 Cb 0.00 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1lud s LEU 12 CO 0.00 -1.19 0.00 2.30 -1.32 0.00 0.00 176.35 176.14 1lud n ILE 13 N -2.78 0.00 0.00 6.68 -5.35 -1.09 -3.42 119.36 113.40 1lud n ILE 13 Ca 0.06 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1lud n ILE 13 Cb 0.57 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 1lud n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lud n GLY 14 N 0.41 4.20 3.05 3.28 0.00 -1.24 -4.94 105.19 109.95 1lud n GLY 14 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 1lud n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lud s LYS 15 N -1.92 1.24 -1.32 1.61 2.36 -1.19 -3.79 119.74 116.73 1lud s LYS 15 Ca 0.00 -0.42 -0.04 0.00 -2.55 0.00 0.00 55.97 52.95 1lud s LYS 15 Cb 0.00 -1.13 0.02 0.00 -1.05 0.00 0.00 37.83 35.67 1lud s LYS 15 CO 0.00 0.17 0.96 -0.25 1.55 0.00 0.00 175.35 177.79 1lud n ASP 16 N 3.19 -3.31 0.00 1.43 8.00 -1.26 -3.85 116.55 120.75 1lud n ASP 16 Ca -0.18 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1lud n ASP 16 Cb 0.54 -4.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.01 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 -1.55 2.35 0.00 0.44 0.00 -1.26 -4.90 105.19 100.27 1lud n GLY 17 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.30 -4.30 1.61 1.44 -1.25 -4.99 115.22 106.44 1lud n HIS 18 Ca 0.00 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.45 1lud n HIS 18 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 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 3.01 0.08 2.39 1.43 -1.26 -3.19 118.68 121.14 1lud s LEU 19 Ca 0.00 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1lud s LEU 19 Cb 0.00 -1.65 -0.23 0.00 0.03 0.00 0.00 46.19 44.34 1lud s LEU 19 CO 0.00 0.07 1.17 1.55 0.23 0.00 0.00 176.35 179.38 1lud h PRO 20 N 2.62 0.54 -5.60 1.29 0.14 -1.90 -3.45 132.00 125.64 1lud h PRO 20 Ca -0.46 -0.68 -0.65 0.00 0.14 0.00 0.00 66.00 64.35 1lud h PRO 20 Cb 1.22 0.22 -0.20 0.00 0.14 0.00 0.00 31.00 32.38 1lud h PRO 20 CO 0.56 1.28 -0.67 1.67 0.14 0.00 0.00 178.00 180.99 1lud s TRP 21 N -3.06 3.02 -0.69 1.56 -2.14 -1.26 -5.02 118.94 111.36 1lud s TRP 21 Ca -0.08 -0.15 -0.20 0.00 2.66 0.00 0.00 56.10 58.33 1lud s TRP 21 Cb 0.07 -1.87 0.10 0.00 -3.10 0.00 0.00 33.47 28.66 1lud s TRP 21 CO 0.91 0.13 0.90 -1.58 -2.66 0.00 0.00 176.95 174.64 1lud s HIS 22 N -0.11 2.90 -0.30 1.66 2.46 -1.26 -4.97 115.29 115.67 1lud s HIS 22 Ca 0.02 -0.89 0.00 0.00 0.47 0.00 0.00 55.06 54.67 1lud s HIS 22 Cb -0.13 -4.18 0.09 0.00 -0.13 0.00 0.00 32.58 28.23 1lud s HIS 22 CO 0.03 -1.48 0.07 -1.17 -2.47 0.00 0.00 174.74 169.72 1lud s LEU 23 N 3.23 2.74 0.23 8.88 2.96 -1.26 -4.98 118.68 130.48 1lud s LEU 23 Ca 0.20 -1.67 -0.02 0.00 -0.22 0.00 0.00 54.13 52.42 1lud s LEU 23 Cb -0.17 -1.04 0.24 0.00 0.50 0.00 0.00 46.19 45.72 1lud s LEU 23 CO 0.05 -0.39 1.64 1.55 -1.32 0.00 0.00 176.35 177.88 1lud h PRO 24 N 7.99 0.67 0.00 0.98 0.14 -1.99 -2.80 132.00 136.99 1lud h PRO 24 Ca -0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 66.00 65.73 1lud h PRO 24 Cb 1.03 -0.03 -0.00 0.00 0.14 0.00 0.00 31.00 32.14 1lud h PRO 24 CO 0.47 0.87 -0.04 0.22 0.14 0.00 0.00 178.00 179.66 1lud h ASP 25 N 0.58 0.00 0.18 1.44 1.82 -1.98 -2.30 116.42 116.16 1lud h ASP 25 Ca 0.08 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.48 1lud h ASP 25 Cb 0.75 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.79 1lud h ASP 25 CO 0.06 0.04 -1.04 -0.78 -1.61 0.00 0.00 179.24 175.90 1lud h ASP 26 N 0.00 0.60 -0.52 2.28 3.58 -1.91 -2.97 116.42 117.48 1lud h ASP 26 Ca -0.00 -0.94 0.09 0.00 0.42 0.00 0.00 57.03 56.60 1lud h ASP 26 Cb 0.08 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 40.86 1lud h ASP 26 CO 0.01 1.50 0.10 -0.07 -2.88 0.00 0.00 179.24 177.90 1lud h LEU 27 N -0.20 -0.01 -1.12 2.28 3.38 -1.29 0.23 115.31 118.59 1lud h LEU 27 Ca -0.18 0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1lud h LEU 27 Cb 1.82 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 1lud h LEU 27 CO 0.19 0.02 0.58 0.45 0.09 0.00 0.00 178.44 179.77 1lud h HIS 28 N 0.24 1.12 -0.50 1.13 3.86 -1.52 -0.53 115.15 118.95 1lud h HIS 28 Ca 0.26 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 1lud h HIS 28 Cb 0.36 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1lud h HIS 28 CO -0.23 0.71 0.10 -0.92 0.86 0.00 0.00 177.93 178.45 1lud h TYR 29 N 1.20 0.79 -0.23 2.45 3.20 -0.60 -1.12 116.97 122.66 1lud h TYR 29 Ca 0.32 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1lud h TYR 29 Cb -0.13 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 1lud h TYR 29 CO 0.00 0.68 -0.02 0.35 -1.64 0.00 0.00 178.16 177.54 1lud h PHE 30 N 0.74 0.46 0.50 -3.82 3.57 0.80 -1.62 116.94 117.57 1lud h PHE 30 Ca 0.16 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1lud h PHE 30 Cb 0.31 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1lud h PHE 30 CO 0.02 0.62 -0.24 -0.09 -2.23 0.00 0.00 178.31 176.38 1lud h ARG 31 N 0.18 -0.64 -1.08 1.11 2.43 -0.89 -2.75 114.38 112.74 1lud h ARG 31 Ca 0.06 0.04 0.30 0.00 -0.81 0.00 0.00 59.98 59.57 1lud h ARG 31 Cb 0.44 0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 30.03 1lud h ARG 31 CO 0.02 -0.43 0.68 0.00 -1.51 0.00 0.00 179.97 178.73 1lud h ALA 32 N -1.60 2.24 0.00 2.80 0.00 -1.30 0.96 119.26 122.36 1lud h ALA 32 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lud h ALA 32 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1lud h ALA 32 CO 0.11 -0.71 0.00 1.96 0.00 0.00 0.00 179.25 180.61 1lud h GLN 33 N 0.36 0.00 -0.18 0.00 1.08 -1.14 -3.00 115.11 112.23 1lud h GLN 33 Ca 0.65 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.70 1lud h GLN 33 Cb 1.67 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.94 1lud h GLN 33 CO -0.37 0.00 -0.66 0.25 -0.95 0.00 0.00 178.83 177.10 1lud n THR 34 N -2.68 1.97 -2.93 -0.54 -2.24 0.33 -4.95 114.28 103.24 1lud n THR 34 Ca 0.01 -3.17 -0.41 0.00 -2.27 0.00 0.00 64.05 58.21 1lud n THR 34 Cb 0.23 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 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 -3.16 4.93 -0.20 2.28 -7.23 -0.92 -3.53 120.40 112.57 1lud s VAL 35 Ca 0.40 1.60 0.00 0.00 -1.81 0.00 0.00 61.98 62.17 1lud s VAL 35 Cb 0.38 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1lud s VAL 35 CO -0.06 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1lud n GLY 36 N 3.32 0.44 3.53 2.32 0.00 -1.25 -4.99 105.19 108.55 1lud n GLY 36 Ca 0.03 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.31 1.79 -0.24 1.61 1.02 -1.23 -4.72 119.74 116.66 1lud s LYS 37 Ca 0.00 -1.97 -0.27 0.00 0.02 0.00 0.00 55.97 53.75 1lud s LYS 37 Cb 0.00 -1.42 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 1lud s LYS 37 CO 0.00 -0.01 0.95 0.42 -0.92 0.00 0.00 175.35 175.79 1lud s ILE 38 N -2.85 4.73 -0.25 2.17 1.01 -1.05 -3.77 121.20 121.19 1lud s ILE 38 Ca 0.34 1.81 -0.05 0.00 0.00 0.00 0.00 60.65 62.74 1lud s ILE 38 Cb 0.07 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1lud s ILE 38 CO 0.16 -0.16 0.02 -0.32 0.00 0.00 0.00 174.94 174.64 1lud s MET 39 N 3.08 3.39 -0.27 2.79 1.75 -0.96 0.12 119.30 129.20 1lud s MET 39 Ca 0.40 -0.63 -0.13 0.00 -1.25 0.00 0.00 55.69 54.07 1lud s MET 39 Cb -0.15 -3.18 -0.04 0.00 2.84 0.00 0.00 34.83 34.29 1lud s MET 39 CO 0.07 -0.25 0.31 0.08 -0.65 0.00 0.00 175.02 174.58 1lud s VAL 40 N 1.52 5.22 -0.04 10.11 1.01 0.28 0.98 120.40 139.48 1lud s VAL 40 Ca 0.05 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1lud s VAL 40 Cb -0.15 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1lud s VAL 40 CO 0.00 0.19 -0.08 0.68 0.00 0.00 0.00 175.10 175.89 1lud s VAL 41 N 1.96 0.77 0.47 2.92 -7.23 -0.83 -0.08 120.40 118.39 1lud s VAL 41 Ca 0.12 -0.32 -0.24 0.00 -1.81 0.00 0.00 61.98 59.73 1lud s VAL 41 Cb -0.16 -0.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.99 1lud s VAL 41 CO 0.10 0.26 1.33 0.61 -0.31 0.00 0.00 175.10 177.09 1lud n GLY 42 N 3.58 0.70 0.28 2.32 0.00 0.09 -2.53 105.19 109.62 1lud n GLY 42 Ca -0.21 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1lud n GLY 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lud h ARG 43 N 1.91 0.00 0.10 1.61 1.12 -1.65 0.20 114.38 117.68 1lud h ARG 43 Ca -0.49 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.13 1lud h ARG 43 Cb 1.29 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.25 1lud h ARG 43 CO 0.59 0.00 -1.26 0.00 -3.11 0.00 0.00 179.97 176.19 1lud h ARG 44 N 0.00 0.22 -0.39 0.20 2.47 -1.88 -1.83 114.38 113.17 1lud h ARG 44 Ca 0.00 -0.37 -0.13 0.00 -1.26 0.00 0.00 59.98 58.22 1lud h ARG 44 Cb 0.47 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1lud h ARG 44 CO 0.00 1.18 -0.28 1.15 0.56 0.00 0.00 179.97 182.58 1lud h THR 45 N -0.40 1.28 -0.75 2.04 2.02 -1.67 -1.85 112.91 113.57 1lud h THR 45 Ca -0.27 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 65.42 1lud h THR 45 Cb 1.67 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 1lud h THR 45 CO 0.04 0.48 0.25 0.22 0.37 0.00 0.00 175.52 176.88 1lud h TYR 46 N 0.70 1.19 0.00 3.16 3.20 -0.75 0.10 116.97 124.58 1lud h TYR 46 Ca 0.08 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1lud h TYR 46 Cb 0.82 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1lud h TYR 46 CO 0.05 0.93 0.00 0.39 -1.64 0.00 0.00 178.16 177.88 1lud n GLU 47 N -4.27 0.13 -0.00 1.82 1.02 -0.69 -1.76 120.64 116.89 1lud n GLU 47 Ca 0.06 0.39 0.11 0.00 -0.02 0.00 0.00 57.16 57.70 1lud n GLU 47 Cb 0.22 -1.77 -0.14 0.00 -0.02 0.00 0.00 31.44 29.73 1lud n GLU 47 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1lud n SER 48 N -2.02 0.36 -4.19 1.62 7.64 -0.07 -4.99 113.62 111.98 1lud n SER 48 Ca 0.02 -0.32 -0.35 0.00 1.01 0.00 0.00 58.87 59.23 1lud n SER 48 Cb 0.19 1.59 0.08 0.00 -1.01 0.00 0.00 64.21 65.07 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 -2.01 -3.00 -0.03 1.43 3.01 0.16 -4.97 117.46 112.04 1lud n PHE 49 Ca -0.01 0.15 -0.01 0.00 1.01 0.00 0.00 57.45 58.59 1lud n PHE 49 Cb 0.49 -1.58 -0.00 0.00 -0.01 0.00 0.00 39.48 38.37 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 -1.33 0.00 -4.25 -1.08 0.13 -1.91 -3.46 132.00 120.10 1lud h PRO 50 Ca -0.44 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.09 1lud h PRO 50 Cb 1.31 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.05 1lud h PRO 50 CO 0.29 0.00 -0.78 0.15 -0.23 0.00 0.00 178.00 177.43 1lud s LYS 51 N -1.47 1.49 0.04 0.86 1.02 -1.26 -5.11 119.74 115.32 1lud s LYS 51 Ca -0.03 -0.93 0.07 0.00 0.02 0.00 0.00 55.97 55.10 1lud s LYS 51 Cb 0.00 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1lud s LYS 51 CO 0.05 -0.61 -0.19 1.03 -0.92 0.00 0.00 175.35 174.71 1lud s ARG 52 N 1.45 1.25 0.77 1.68 3.00 -1.26 -4.33 118.95 121.51 1lud s ARG 52 Ca -0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 55.73 54.71 1lud s ARG 52 Cb -0.19 -1.34 0.11 0.00 0.00 0.00 0.00 34.95 33.53 1lud s ARG 52 CO -0.07 0.34 1.09 -1.25 0.00 0.00 0.00 175.30 175.41 1lud s PRO 53 N -1.18 1.72 0.46 3.54 0.04 -1.26 -5.14 135.00 133.18 1lud s PRO 53 Ca 0.06 -0.46 -0.18 0.00 0.04 0.00 0.00 61.00 60.46 1lud s PRO 53 Cb -0.09 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 1lud s PRO 53 CO 0.02 -1.57 0.94 -0.51 0.04 0.00 0.00 177.00 175.92 1lud s LEU 54 N -5.38 3.81 0.09 -3.56 1.43 -1.26 -5.01 118.68 108.79 1lud s LEU 54 Ca 0.65 1.57 -0.31 0.00 -1.03 0.00 0.00 54.13 55.00 1lud s LEU 54 Cb -0.08 -4.45 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 1lud s LEU 54 CO 0.47 -0.45 1.46 -2.16 0.23 0.00 0.00 176.35 175.90 1lud s PRO 55 N -3.59 4.28 -1.63 1.29 0.04 -1.26 -3.27 135.00 130.86 1lud s PRO 55 Ca 0.59 2.13 -0.13 0.00 0.04 0.00 0.00 61.00 63.63 1lud s PRO 55 Cb -0.10 -3.36 0.11 0.00 0.04 0.00 0.00 34.50 31.19 1lud s PRO 55 CO 0.22 -0.54 0.61 0.39 0.04 0.00 0.00 177.00 177.73 1lud n GLU 56 N 4.53 -2.84 -4.04 4.56 -0.58 -1.26 -4.93 120.64 116.08 1lud n GLU 56 Ca 0.13 0.34 -0.18 0.00 -0.42 0.00 0.00 57.16 57.02 1lud n GLU 56 Cb 0.42 -4.80 -0.16 0.00 -0.57 0.00 0.00 31.44 26.33 1lud n GLU 56 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1lud s ARG 57 N -6.90 0.54 -0.31 3.49 0.52 -1.20 -3.86 118.95 111.24 1lud s ARG 57 Ca 0.50 -0.01 -0.20 0.00 -0.52 0.00 0.00 55.73 55.50 1lud s ARG 57 Cb -0.27 -0.65 -0.01 0.00 0.52 0.00 0.00 34.95 34.54 1lud s ARG 57 CO 0.93 -0.11 0.62 0.99 0.02 0.00 0.00 175.30 177.75 1lud s THR 58 N 0.97 4.95 0.11 0.02 2.01 -1.25 -4.63 115.64 117.82 1lud s THR 58 Ca -0.10 0.81 0.09 0.00 0.31 0.00 0.00 61.69 62.80 1lud s THR 58 Cb -0.14 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1lud s THR 58 CO -0.01 -0.14 -0.21 0.20 -0.69 0.00 0.00 174.62 173.77 1lud s ASN 59 N 1.65 2.65 -0.06 3.53 0.01 -1.26 -2.26 114.94 119.19 1lud s ASN 59 Ca 0.25 -0.71 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 1lud s ASN 59 Cb -0.15 -0.15 -0.00 0.00 0.41 0.00 0.00 41.25 41.36 1lud s ASN 59 CO 0.12 0.06 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.88 1lud s VAL 60 N -1.25 1.70 0.13 1.60 1.01 0.27 -0.23 120.40 123.63 1lud s VAL 60 Ca 0.08 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1lud s VAL 60 Cb -0.10 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1lud s VAL 60 CO 0.05 0.48 0.21 -0.69 0.00 0.00 0.00 175.10 175.15 1lud s VAL 61 N 0.16 5.05 -0.19 2.92 1.01 -1.05 -1.96 120.40 126.34 1lud s VAL 61 Ca -0.09 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1lud s VAL 61 Cb -0.14 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1lud s VAL 61 CO 0.05 -0.04 -0.16 -0.76 0.00 0.00 0.00 175.10 174.19 1lud s LEU 62 N -3.00 2.38 0.04 3.92 1.02 -1.05 -2.61 118.68 119.38 1lud s LEU 62 Ca 0.33 -0.62 -0.10 0.00 0.02 0.00 0.00 54.13 53.76 1lud s LEU 62 Cb -0.11 -1.55 0.01 0.00 0.02 0.00 0.00 46.19 44.56 1lud s LEU 62 CO 0.26 -0.01 0.22 0.28 0.02 0.00 0.00 176.35 177.12 1lud s THR 63 N 1.33 0.11 -1.75 5.49 -1.32 -1.12 -1.53 115.64 116.85 1lud s THR 63 Ca 0.05 -0.87 0.20 0.00 -1.21 0.00 0.00 61.69 59.86 1lud s THR 63 Cb -0.14 -0.95 0.64 0.00 -1.51 0.00 0.00 72.50 70.54 1lud s THR 63 CO -0.10 -0.48 1.54 1.41 -2.21 0.00 0.00 174.62 174.77 1lud n HIS 64 N 0.60 1.08 -1.94 9.09 8.25 -1.26 -4.25 115.22 126.80 1lud n HIS 64 Ca -0.18 -0.50 -0.29 0.00 -0.26 0.00 0.00 57.72 56.49 1lud n HIS 64 Cb 0.59 -0.07 0.20 0.00 1.12 0.00 0.00 29.99 31.83 1lud n HIS 64 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1lud n GLN 65 N 1.41 -1.27 0.00 -0.41 6.02 -1.26 -5.03 117.38 116.84 1lud n GLN 65 Ca 0.24 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.15 1lud n GLN 65 Cb 0.67 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.58 1lud n GLN 65 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1lud n GLU 66 N -3.80 2.79 -1.41 -1.09 -0.58 -1.26 -4.73 120.64 110.56 1lud n GLU 66 Ca 0.17 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.68 1lud n GLU 66 Cb 0.58 -0.98 0.10 0.00 -0.57 0.00 0.00 31.44 30.57 1lud n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1lud n ASP 67 N -1.79 5.15 -4.62 1.62 8.00 -1.26 -5.00 116.55 118.65 1lud n ASP 67 Ca 0.00 -3.77 -0.43 0.00 0.71 0.00 0.00 54.79 51.31 1lud n ASP 67 Cb 0.34 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 1lud n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1lud s TYR 68 N -3.57 1.39 -0.48 1.24 5.04 -1.26 -4.93 117.35 114.79 1lud s TYR 68 Ca 0.55 0.26 -0.15 0.00 -2.44 0.00 0.00 57.07 55.29 1lud s TYR 68 Cb 0.45 -4.04 0.08 0.00 0.35 0.00 0.00 41.96 38.80 1lud s TYR 68 CO 0.02 -4.26 0.40 -0.65 -1.34 0.00 0.00 175.55 169.72 1lud s GLN 69 N 5.50 2.93 -0.44 4.97 -1.52 -1.26 -4.99 119.66 124.86 1lud s GLN 69 Ca 0.91 -1.43 0.02 0.00 -1.95 0.00 0.00 55.36 52.92 1lud s GLN 69 Cb -0.34 -4.11 0.15 0.00 -0.22 0.00 0.00 33.01 28.48 1lud s GLN 69 CO 0.36 -1.07 0.27 0.00 -0.25 0.00 0.00 175.29 174.60 1lud s ALA 70 N 1.60 1.86 -0.12 6.09 0.00 -1.26 -5.09 121.76 124.84 1lud s ALA 70 Ca 0.04 -2.50 -0.29 0.00 0.00 0.00 0.00 51.96 49.21 1lud s ALA 70 Cb -0.25 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1lud s ALA 70 CO 0.05 -2.06 1.28 -0.65 0.00 0.00 0.00 175.76 174.38 1lud s GLN 71 N 0.32 4.26 0.00 0.00 -0.21 -1.26 -3.08 119.66 119.69 1lud s GLN 71 Ca 0.21 1.71 0.00 0.00 0.02 0.00 0.00 55.36 57.30 1lud s GLN 71 Cb -0.17 -3.72 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1lud s GLN 71 CO -0.05 -0.64 0.00 0.41 -2.12 0.00 0.00 175.29 172.89 1lud n GLY 72 N 3.58 2.38 3.58 3.09 0.00 -1.26 -4.92 105.19 111.64 1lud n GLY 72 Ca 0.13 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.12 2.97 0.85 4.61 0.00 -1.18 -4.81 121.76 123.10 1lud s ALA 73 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1lud s ALA 73 Cb 0.00 -1.21 0.10 0.00 0.00 0.00 0.00 23.12 22.01 1lud s ALA 73 CO 0.00 0.58 1.11 0.28 0.00 0.00 0.00 175.76 177.73 1lud n VAL 74 N 2.15 1.24 -3.75 0.00 0.31 0.68 -4.79 118.33 114.17 1lud n VAL 74 Ca -0.18 -0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 1lud n VAL 74 Cb 0.53 -1.08 -0.14 0.00 -0.91 0.00 0.00 33.84 32.24 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 -2.30 -0.04 0.20 2.52 1.01 -1.26 -2.52 120.40 118.00 1lud s VAL 75 Ca 0.70 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.74 1lud s VAL 75 Cb -0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1lud s VAL 75 CO 0.54 0.06 0.34 0.68 0.00 0.00 0.00 175.10 176.72 1lud s VAL 76 N 1.09 0.04 -0.06 2.92 -7.23 -1.07 -4.94 120.40 111.14 1lud s VAL 76 Ca -0.08 -1.44 0.24 0.00 -1.81 0.00 0.00 61.98 58.89 1lud s VAL 76 Cb -0.10 -2.02 0.44 0.00 0.56 0.00 0.00 36.38 35.26 1lud s VAL 76 CO -0.06 -0.16 1.16 1.41 -0.31 0.00 0.00 175.10 177.14 1lud n HIS 77 N -0.28 0.26 -3.15 2.82 -0.00 -1.26 -2.78 115.22 110.83 1lud n HIS 77 Ca -0.05 -0.88 0.05 0.00 -0.00 0.00 0.00 57.72 56.84 1lud n HIS 77 Cb 0.63 -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 -2.42 -0.98 0.50 0.41 -1.08 -1.26 -4.93 116.67 106.90 1lud s ASP 78 Ca 0.33 0.58 0.37 0.00 -0.52 0.00 0.00 52.55 53.31 1lud s ASP 78 Cb 0.38 1.81 1.52 0.00 -1.46 0.00 0.00 42.92 45.16 1lud s ASP 78 CO -0.14 -0.18 1.67 0.58 0.52 0.00 0.00 175.17 177.62 1lud h VAL 79 N 5.67 0.20 -0.98 1.11 2.07 -2.00 0.83 116.25 123.15 1lud h VAL 79 Ca -0.18 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1lud h VAL 79 Cb 1.17 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1lud h VAL 79 CO 0.10 0.01 0.64 0.00 0.02 0.00 0.00 177.57 178.34 1lud h ALA 80 N 1.38 1.35 -0.27 1.67 0.00 -1.99 -1.57 119.26 119.83 1lud h ALA 80 Ca 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.59 1lud h ALA 80 Cb 2.75 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.16 1lud h ALA 80 CO -0.18 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.65 1lud h ALA 81 N 1.42 0.36 0.67 0.00 0.00 0.28 -2.77 119.26 119.22 1lud h ALA 81 Ca 0.38 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lud h ALA 81 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1lud h ALA 81 CO -0.11 0.08 -0.46 0.28 0.00 0.00 0.00 179.25 179.05 1lud h VAL 82 N 0.26 0.08 -1.33 0.00 2.07 -1.32 -1.50 116.25 114.51 1lud h VAL 82 Ca 0.08 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.99 1lud h VAL 82 Cb 0.39 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1lud h VAL 82 CO 0.01 0.00 0.98 -0.26 0.02 0.00 0.00 177.57 178.32 1lud h PHE 83 N -1.08 0.00 0.00 1.57 0.04 -1.31 0.86 116.94 117.02 1lud h PHE 83 Ca -0.09 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.57 1lud h PHE 83 Cb 0.88 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 1lud h PHE 83 CO -0.14 0.00 -0.54 0.00 -0.60 0.00 0.00 178.31 177.04 1lud h ALA 84 N 1.30 0.77 0.07 2.45 0.00 -0.99 -3.05 119.26 119.81 1lud h ALA 84 Ca 0.63 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1lud h ALA 84 Cb 2.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.28 1lud h ALA 84 CO -0.01 0.67 -0.03 -0.92 0.00 0.00 0.00 179.25 178.96 1lud h TYR 85 N 0.00 -0.09 -0.94 0.00 3.20 0.11 -2.73 116.97 116.53 1lud h TYR 85 Ca -0.01 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1lud h TYR 85 Cb 1.23 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.45 1lud h TYR 85 CO 0.00 0.48 0.57 0.00 -1.64 0.00 0.00 178.16 177.57 1lud h ALA 86 N 0.05 1.40 0.00 1.82 0.00 -1.60 0.30 119.26 121.23 1lud h ALA 86 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1lud h ALA 86 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1lud h ALA 86 CO 0.02 0.17 -0.17 -0.22 0.00 0.00 0.00 179.25 179.05 1lud h LYS 87 N 0.92 0.00 0.00 0.00 1.63 -1.55 -2.53 116.57 115.04 1lud h LYS 87 Ca 0.47 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 60.14 1lud h LYS 87 Cb 0.46 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1lud h LYS 87 CO -0.26 0.17 -1.09 1.96 -3.45 0.00 0.00 179.45 176.78 1lud h GLN 88 N 0.00 0.00 -5.23 1.90 7.50 -0.20 -3.44 115.11 115.64 1lud h GLN 88 Ca -0.00 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.50 1lud h GLN 88 Cb 0.34 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 27.72 1lud h GLN 88 CO 0.02 0.30 -0.05 -1.01 -1.50 0.00 0.00 178.83 176.59 1lud s HIS 89 N -3.00 3.18 -2.21 2.96 3.76 0.13 -4.91 115.29 115.20 1lud s HIS 89 Ca -0.01 0.16 0.27 0.00 -0.15 0.00 0.00 55.06 55.33 1lud s HIS 89 Cb 0.08 -2.93 1.30 0.00 1.11 0.00 0.00 32.58 32.15 1lud s HIS 89 CO 0.79 -0.55 1.87 -0.35 -0.85 0.00 0.00 174.74 175.65 1lud n PRO 90 N 5.74 1.34 0.00 8.40 -0.04 -1.26 -3.65 135.00 145.53 1lud n PRO 90 Ca -0.05 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1lud n PRO 90 Cb 0.49 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.36 0.41 -3.50 3.54 9.92 -1.26 -5.01 116.55 120.29 1lud n ASP 91 Ca 0.19 -1.17 -0.16 0.00 -0.53 0.00 0.00 54.79 53.12 1lud n ASP 91 Cb 0.22 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.58 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 -0.17 0.20 0.00 -1.24 0.74 -1.24 -4.92 119.66 113.03 1lud s GLN 92 Ca 0.00 0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.74 1lud s GLN 92 Cb 0.00 -0.92 0.00 0.00 1.10 0.00 0.00 33.01 33.19 1lud s GLN 92 CO 0.00 -0.59 0.00 0.39 -0.55 0.00 0.00 175.29 174.54 1lud n GLU 93 N 5.33 1.39 -3.67 1.67 1.02 -1.26 -4.54 120.64 120.57 1lud n GLU 93 Ca -0.05 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.71 1lud n GLU 93 Cb 0.50 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.80 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 3.88 -0.14 -4.62 2.96 -1.26 -2.54 118.68 116.96 1lud s LEU 94 Ca 0.00 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1lud s LEU 94 Cb 0.00 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.69 1lud s LEU 94 CO 0.00 -0.12 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.03 1lud s VAL 95 N 1.64 2.36 0.25 1.68 1.01 0.32 -0.78 120.40 126.88 1lud s VAL 95 Ca 0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1lud s VAL 95 Cb -0.16 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 1lud s VAL 95 CO 0.06 0.54 0.60 -0.63 0.00 0.00 0.00 175.10 175.67 1lud s ILE 96 N 0.71 4.85 0.00 2.22 -1.09 0.33 -0.56 121.20 127.67 1lud s ILE 96 Ca -0.08 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1lud s ILE 96 Cb -0.16 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1lud s ILE 96 CO 0.01 -0.07 0.35 0.00 -1.23 0.00 0.00 174.94 174.00 1lud n ALA 97 N -0.10 1.32 0.00 9.38 0.00 0.89 -2.01 120.51 130.00 1lud n ALA 97 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1lud n ALA 97 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.05 -1.71 0.00 0.00 0.00 -1.08 -4.88 105.19 97.48 1lud n GLY 98 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.96 0.29 -0.02 0.00 -1.26 -0.73 105.19 102.51 1lud n GLY 99 Ca 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 1.45 -0.82 4.61 0.00 -1.92 -2.41 119.26 118.17 1lud h ALA 100 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1lud h ALA 100 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1lud h ALA 100 CO 0.00 0.41 0.51 0.37 0.00 0.00 0.00 179.25 180.54 1lud h GLN 101 N 0.58 0.95 0.00 0.00 5.75 -1.96 -1.55 115.11 118.87 1lud h GLN 101 Ca 0.14 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1lud h GLN 101 Cb 0.20 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1lud h GLN 101 CO -0.01 0.63 -0.39 0.82 -2.65 0.00 0.00 178.83 177.23 1lud h ILE 102 N 0.98 0.78 0.00 2.39 1.08 -1.67 -2.92 117.51 118.15 1lud h ILE 102 Ca 0.34 -1.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.07 1lud h ILE 102 Cb 0.07 2.11 -0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1lud h ILE 102 CO -0.14 0.38 -0.04 -0.26 -0.69 0.00 0.00 178.15 177.40 1lud h PHE 103 N 0.00 0.00 0.02 1.37 0.04 -0.97 -2.74 116.94 114.66 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 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1lud h PHE 103 CO 0.00 0.04 -0.01 1.15 -0.60 0.00 0.00 178.31 178.90 1lud h THR 104 N 0.00 1.26 0.00 -1.55 2.02 -1.16 -1.15 112.91 112.33 1lud h THR 104 Ca -0.00 -1.86 -0.04 0.00 0.77 0.00 0.00 66.41 65.29 1lud h THR 104 Cb 0.81 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1lud h THR 104 CO 0.01 0.41 -0.17 0.00 0.37 0.00 0.00 175.52 176.14 1lud h ALA 105 N -0.25 1.57 -0.01 6.16 0.00 -1.61 -2.40 119.26 122.72 1lud h ALA 105 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1lud h ALA 105 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1lud h ALA 105 CO 0.00 0.22 -0.40 1.19 0.00 0.00 0.00 179.25 180.26 1lud n PHE 106 N -4.13 0.00 -0.23 0.00 3.01 -1.03 -4.36 117.46 110.72 1lud n PHE 106 Ca -0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.49 1lud n PHE 106 Cb 0.25 -0.03 0.31 0.00 -0.01 0.00 0.00 39.48 40.00 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 2.24 0.84 -0.50 -1.08 2.10 -0.66 -2.13 116.57 117.37 1lud h LYS 107 Ca 0.00 -0.05 -0.11 0.00 -2.00 0.00 0.00 60.65 58.49 1lud h LYS 107 Cb 0.70 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 1lud h LYS 107 CO 0.00 0.56 -0.13 0.22 -2.00 0.00 0.00 179.45 178.10 1lud h ASP 108 N 0.86 0.96 -3.82 7.07 3.58 -1.76 -3.36 116.42 119.96 1lud h ASP 108 Ca 0.35 -0.32 -0.74 0.00 0.42 0.00 0.00 57.03 56.74 1lud h ASP 108 Cb 0.25 -0.26 -0.32 0.00 1.72 0.00 0.00 39.33 40.73 1lud h ASP 108 CO -0.12 1.08 -0.07 -1.81 -2.88 0.00 0.00 179.24 175.44 1lud s ASP 109 N -6.68 6.10 0.14 2.28 1.01 -0.80 -5.05 116.67 113.67 1lud s ASP 109 Ca -0.11 -3.11 0.11 0.00 0.71 0.00 0.00 52.55 50.16 1lud s ASP 109 Cb 0.13 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 1lud s ASP 109 CO 0.85 -0.37 -0.26 -0.69 0.21 0.00 0.00 175.17 174.91 1lud s VAL 110 N -0.45 2.27 0.00 -1.27 1.01 -1.25 -4.60 120.40 116.11 1lud s VAL 110 Ca 0.21 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1lud s VAL 110 Cb -0.13 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1lud s VAL 110 CO -0.08 0.05 0.00 -0.67 0.00 0.00 0.00 175.10 174.40 1lud n ASP 111 N 0.78 2.39 -3.71 3.32 2.03 0.37 -4.81 116.55 116.92 1lud n ASP 111 Ca -0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.01 1lud n ASP 111 Cb 0.54 0.15 -0.13 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.52 -0.13 -0.14 5.18 2.01 -0.96 -2.49 115.64 117.59 1lud s THR 112 Ca 0.00 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 1lud s THR 112 Cb 0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 1lud s THR 112 CO 0.00 0.08 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.23 1lud s LEU 113 N 1.53 3.40 -0.40 4.42 1.43 -0.81 0.22 118.68 128.48 1lud s LEU 113 Ca -0.07 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1lud s LEU 113 Cb -0.11 -1.81 0.12 0.00 0.03 0.00 0.00 46.19 44.42 1lud s LEU 113 CO -0.08 0.23 0.18 -0.76 0.23 0.00 0.00 176.35 176.14 1lud s LEU 114 N 0.03 3.02 0.01 1.79 1.43 0.34 0.36 118.68 125.67 1lud s LEU 114 Ca 0.02 -2.34 0.05 0.00 -1.03 0.00 0.00 54.13 50.82 1lud s LEU 114 Cb -0.13 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 1lud s LEU 114 CO 0.02 -0.32 -0.11 0.54 0.23 0.00 0.00 176.35 176.72 1lud s VAL 115 N 0.70 3.33 -0.18 -1.59 0.11 -0.75 -2.02 120.40 120.00 1lud s VAL 115 Ca 0.15 -0.91 -0.04 0.00 -2.93 0.00 0.00 61.98 58.24 1lud s VAL 115 Cb -0.22 -2.43 -0.02 0.00 -1.53 0.00 0.00 36.38 32.18 1lud s VAL 115 CO -0.08 0.38 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.16 1lud s THR 116 N -0.96 3.77 -0.30 5.04 2.01 -1.05 -1.20 115.64 122.95 1lud s THR 116 Ca 0.16 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 1lud s THR 116 Cb -0.11 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1lud s THR 116 CO 0.07 0.45 0.13 -0.13 -0.69 0.00 0.00 174.62 174.45 1lud s ARG 117 N 0.84 3.41 0.44 4.92 1.81 -0.76 0.21 118.95 129.82 1lud s ARG 117 Ca -0.00 -0.66 -0.14 0.00 -1.72 0.00 0.00 55.73 53.20 1lud s ARG 117 Cb -0.14 -3.51 -0.08 0.00 -0.45 0.00 0.00 34.95 30.77 1lud s ARG 117 CO 0.02 -0.36 0.87 -0.51 -0.68 0.00 0.00 175.30 174.64 1lud s LEU 118 N 1.61 3.78 0.16 2.53 1.02 -0.72 -1.63 118.68 125.43 1lud s LEU 118 Ca 0.05 1.38 0.14 0.00 0.02 0.00 0.00 54.13 55.71 1lud s LEU 118 Cb -0.17 -4.27 -0.06 0.00 0.02 0.00 0.00 46.19 41.71 1lud s LEU 118 CO 0.06 -0.45 1.18 0.00 0.02 0.00 0.00 176.35 177.15 1lud h ALA 119 N 1.29 0.61 -2.45 4.21 0.00 -0.84 -2.73 119.26 119.36 1lud h ALA 119 Ca -0.47 -0.72 -0.46 0.00 0.00 0.00 0.00 54.91 53.26 1lud h ALA 119 Cb 1.18 0.05 0.14 0.00 0.00 0.00 0.00 17.79 19.16 1lud h ALA 119 CO 0.63 0.89 0.28 0.20 0.00 0.00 0.00 179.25 181.25 1lud s GLY 120 N -4.65 1.58 -0.20 0.00 0.00 -1.16 -4.77 107.32 98.12 1lud s GLY 120 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.21 1lud s GLY 120 CO 0.78 0.05 -0.13 -1.35 0.00 0.00 0.00 173.10 172.46 1lud s SER 121 N -3.96 3.49 0.29 1.64 1.04 -1.26 -3.39 113.70 111.54 1lud s SER 121 Ca 0.64 -0.91 0.08 0.00 0.48 0.00 0.00 55.95 56.25 1lud s SER 121 Cb -0.15 -1.33 -0.04 0.00 0.10 0.00 0.00 66.02 64.60 1lud s SER 121 CO 0.54 -0.12 0.10 -0.36 0.98 0.00 0.00 173.24 174.38 1lud s PHE 122 N 1.33 2.81 0.27 5.02 0.40 -1.26 -5.07 117.98 121.48 1lud s PHE 122 Ca -0.01 -0.24 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1lud s PHE 122 Cb -0.16 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1lud s PHE 122 CO -0.09 0.50 -0.02 -1.21 0.70 0.00 0.00 175.22 175.10 1lud s GLU 123 N -3.78 2.24 0.00 0.44 2.02 -1.26 -4.92 118.70 113.44 1lud s GLU 123 Ca 0.34 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.88 1lud s GLU 123 Cb -0.06 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1lud s GLU 123 CO 0.22 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1lud n GLY 124 N -0.87 1.29 0.00 -1.39 0.00 -1.26 -4.89 105.19 98.08 1lud n GLY 124 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.09 -4.31 1.61 9.92 -1.26 -5.03 116.55 117.57 1lud n ASP 125 Ca 0.00 -0.09 -0.35 0.00 -0.53 0.00 0.00 54.79 53.82 1lud n ASP 125 Cb 0.00 0.20 -0.14 0.00 -0.64 0.00 0.00 41.12 40.54 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 -0.21 3.31 0.24 -3.53 2.01 -1.25 -5.10 115.64 111.11 1lud s THR 126 Ca 0.00 -0.52 0.09 0.00 0.31 0.00 0.00 61.69 61.58 1lud s THR 126 Cb 0.00 -2.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1lud s THR 126 CO 0.00 0.43 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.66 1lud s LYS 127 N 1.40 1.49 0.84 4.92 1.02 -1.26 -2.65 119.74 125.49 1lud s LYS 127 Ca 0.05 -1.68 -0.10 0.00 0.02 0.00 0.00 55.97 54.25 1lud s LYS 127 Cb -0.14 -1.40 0.10 0.00 -0.52 0.00 0.00 37.83 35.87 1lud s LYS 127 CO -0.03 0.23 1.12 1.41 -0.92 0.00 0.00 175.35 177.16 1lud s MET 128 N -3.59 1.64 0.92 1.68 1.75 -1.15 -4.85 119.30 115.70 1lud s MET 128 Ca 0.26 1.38 -0.12 0.00 -1.25 0.00 0.00 55.69 55.96 1lud s MET 128 Cb -0.02 -1.81 0.14 0.00 2.84 0.00 0.00 34.83 35.98 1lud s MET 128 CO 0.11 -2.14 1.12 0.96 -0.65 0.00 0.00 175.02 174.41 1lud s ILE 129 N -2.75 2.16 -0.65 10.11 -4.36 -1.26 -4.95 121.20 119.51 1lud s ILE 129 Ca 0.64 0.05 -0.27 0.00 -0.26 0.00 0.00 60.65 60.82 1lud s ILE 129 Cb -0.20 -2.73 0.01 0.00 1.25 0.00 0.00 42.46 40.79 1lud s ILE 129 CO 0.57 -0.07 1.54 -2.16 0.24 0.00 0.00 174.94 175.05 1lud s PRO 130 N -5.18 3.00 0.33 0.37 0.05 -1.26 -5.01 135.00 127.31 1lud s PRO 130 Ca 0.64 0.25 -0.04 0.00 0.05 0.00 0.00 61.00 61.90 1lud s PRO 130 Cb -0.16 -4.25 -0.05 0.00 0.05 0.00 0.00 34.50 30.10 1lud s PRO 130 CO 0.55 -2.32 0.60 -0.51 0.05 0.00 0.00 177.00 175.36 1lud s LEU 131 N 7.09 3.98 -1.13 -3.56 1.43 -1.26 -5.01 118.68 120.22 1lud s LEU 131 Ca 0.51 0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 54.28 1lud s LEU 131 Cb -0.11 -3.57 0.27 0.00 0.03 0.00 0.00 46.19 42.82 1lud s LEU 131 CO 0.19 -0.28 1.59 -3.20 0.23 0.00 0.00 176.35 174.89 1lud n ASN 132 N -1.29 6.13 0.03 2.29 5.15 -1.26 -4.80 115.26 121.50 1lud n ASN 132 Ca -0.02 -3.35 0.22 0.00 -0.60 0.00 0.00 54.58 50.84 1lud n ASN 132 Cb 0.54 -1.32 0.73 0.00 -0.53 0.00 0.00 39.78 39.20 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 5.48 0.00 0.00 1.20 4.06 -1.95 0.43 115.95 125.17 1lud h TRP 133 Ca 0.25 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.17 1lud h TRP 133 Cb 0.61 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.77 1lud h TRP 133 CO 1.08 0.00 -0.14 0.22 -3.56 0.00 0.00 178.44 176.04 1lud h ASP 134 N 0.00 0.00 0.41 -3.49 3.58 -2.05 -1.67 116.42 113.21 1lud h ASP 134 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1lud h ASP 134 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1lud h ASP 134 CO -0.00 0.14 -0.56 0.47 -2.88 0.00 0.00 179.24 176.41 1lud n ASP 135 N -3.70 0.60 -4.63 2.28 8.00 0.15 -4.91 116.55 114.35 1lud n ASP 135 Ca -0.02 -0.39 -0.25 0.00 0.71 0.00 0.00 54.79 54.84 1lud n ASP 135 Cb 0.26 0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.62 1lud n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1lud s PHE 136 N -2.98 2.53 -0.03 1.24 0.40 -0.63 -4.00 117.98 114.52 1lud s PHE 136 Ca 0.11 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1lud s PHE 136 Cb 0.17 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 42.19 1lud s PHE 136 CO 0.72 0.46 -0.02 0.99 0.70 0.00 0.00 175.22 178.07 1lud s THR 137 N -2.55 0.31 -0.05 0.64 2.01 -1.10 -4.88 115.64 110.03 1lud s THR 137 Ca 0.35 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1lud s THR 137 Cb 0.01 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1lud s THR 137 CO 0.19 0.16 1.32 -0.75 -0.69 0.00 0.00 174.62 174.85 1lud s LYS 138 N 0.77 4.30 -0.07 4.92 2.20 -1.26 -1.68 119.74 128.93 1lud s LYS 138 Ca -0.09 1.82 0.20 0.00 -0.36 0.00 0.00 55.97 57.55 1lud s LYS 138 Cb -0.12 -3.61 -0.30 0.00 -1.51 0.00 0.00 37.83 32.29 1lud s LYS 138 CO -0.01 -0.56 0.36 1.33 -0.36 0.00 0.00 175.35 176.12 1lud n VAL 139 N 4.78 0.32 -3.79 4.02 0.24 -0.16 -4.96 118.33 118.77 1lud n VAL 139 Ca 0.13 -0.55 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 1lud n VAL 139 Cb 0.45 -0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.60 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 -4.62 -0.23 -0.15 -1.34 0.01 -1.22 -5.04 113.70 101.10 1lud s SER 140 Ca -0.08 0.45 -0.12 0.00 1.31 0.00 0.00 55.95 57.52 1lud s SER 140 Cb 0.11 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.85 1lud s SER 140 CO 0.84 -0.08 0.39 -0.44 0.41 0.00 0.00 173.24 174.36 1lud s SER 141 N 0.15 -0.43 -0.05 2.44 0.01 -1.26 -1.35 113.70 113.22 1lud s SER 141 Ca -0.00 0.80 0.02 0.00 1.31 0.00 0.00 55.95 58.08 1lud s SER 141 Cb -0.02 0.76 0.01 0.00 0.21 0.00 0.00 66.02 66.99 1lud s SER 141 CO 0.00 -0.15 -0.09 -0.60 0.41 0.00 0.00 173.24 172.80 1lud s ARG 142 N 0.62 1.24 -0.23 12.44 3.52 -0.99 -4.96 118.95 130.59 1lud s ARG 142 Ca -0.03 -0.31 -0.10 0.00 -0.13 0.00 0.00 55.73 55.17 1lud s ARG 142 Cb -0.05 -1.10 -0.05 0.00 -1.56 0.00 0.00 34.95 32.20 1lud s ARG 142 CO -0.04 0.04 0.13 0.99 -0.81 0.00 0.00 175.30 175.61 1lud s THR 143 N 0.55 5.10 -0.17 4.11 2.01 -1.26 -0.83 115.64 125.14 1lud s THR 143 Ca -0.10 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1lud s THR 143 Cb -0.13 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 69.02 1lud s THR 143 CO 0.02 0.36 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.43 1lud s VAL 144 N 1.09 2.23 0.49 3.82 1.01 -0.77 -5.02 120.40 123.25 1lud s VAL 144 Ca 0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1lud s VAL 144 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1lud s VAL 144 CO 0.04 0.53 0.79 -1.83 0.00 0.00 0.00 175.10 174.64 1lud s GLU 145 N 1.17 3.46 0.05 2.72 -1.05 -1.26 -2.80 118.70 120.98 1lud s GLU 145 Ca 0.02 0.16 -0.00 0.00 -0.15 0.00 0.00 54.97 54.99 1lud s GLU 145 Cb -0.14 -2.37 -0.03 0.00 -0.44 0.00 0.00 34.13 31.15 1lud s GLU 145 CO -0.09 -0.26 -0.04 0.34 0.95 0.00 0.00 175.26 176.17 1lud s ASP 146 N -4.13 0.53 0.32 0.83 2.15 -1.26 -4.94 116.67 110.16 1lud s ASP 146 Ca 0.48 -0.82 0.21 0.00 0.43 0.00 0.00 52.55 52.85 1lud s ASP 146 Cb -0.10 0.15 1.17 0.00 -0.30 0.00 0.00 42.92 43.83 1lud s ASP 146 CO 0.45 -0.47 1.66 0.35 -0.17 0.00 0.00 175.17 176.99 1lud n THR 147 N 0.62 1.05 -4.02 1.71 -2.24 -1.26 -4.41 114.28 105.74 1lud n THR 147 Ca -0.17 0.73 -0.35 0.00 -2.27 0.00 0.00 64.05 61.99 1lud n THR 147 Cb 0.59 -1.73 -0.11 0.00 -2.10 0.00 0.00 70.33 66.97 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 -4.03 5.26 0.19 3.42 3.84 -1.26 -5.00 114.94 117.36 1lud s ASN 148 Ca -0.02 -0.07 -0.16 0.00 0.21 0.00 0.00 52.86 52.82 1lud s ASN 148 Cb 0.06 -1.91 0.18 0.00 -0.55 0.00 0.00 41.25 39.03 1lud s ASN 148 CO 0.20 0.10 1.63 -0.65 -2.79 0.00 0.00 177.10 175.59 1lud h PRO 149 N 7.23 -0.03 0.00 0.43 0.10 -2.00 -1.53 132.00 136.21 1lud h PRO 149 Ca -0.36 0.00 -0.12 0.00 0.10 0.00 0.00 66.00 65.62 1lud h PRO 149 Cb 1.18 0.01 -0.02 0.00 0.10 0.00 0.00 31.00 32.26 1lud h PRO 149 CO 0.64 -0.02 -0.59 0.00 0.10 0.00 0.00 178.00 178.13 1lud h ALA 150 N 1.47 0.65 0.00 -0.75 0.00 -1.94 -3.19 119.26 115.50 1lud h ALA 150 Ca 0.26 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1lud h ALA 150 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1lud h ALA 150 CO -0.58 0.74 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1lud n LEU 151 N -3.30 0.00 -4.77 0.00 4.77 -0.59 -2.97 117.00 110.14 1lud n LEU 151 Ca 0.01 0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 1lud n LEU 151 Cb 0.75 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1lud n LEU 151 CO 0.41 -0.03 0.95 -0.89 -1.33 0.00 0.00 177.39 176.51 1lud s THR 152 N -2.16 2.60 0.18 -5.08 2.01 -1.11 -4.67 115.64 107.41 1lud s THR 152 Ca 0.28 0.52 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 1lud s THR 152 Cb 0.14 -3.30 0.06 0.00 0.01 0.00 0.00 72.50 69.41 1lud s THR 152 CO 0.26 0.06 0.60 -1.38 -0.69 0.00 0.00 174.62 173.47 1lud s HIS 153 N -1.30 -0.44 0.09 4.92 -3.43 -1.12 -0.35 115.29 113.67 1lud s HIS 153 Ca 0.59 0.17 0.05 0.00 -0.80 0.00 0.00 55.06 55.08 1lud s HIS 153 Cb -0.37 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.30 1lud s HIS 153 CO 0.47 -0.91 -0.14 0.99 -2.00 0.00 0.00 174.74 173.16 1lud s THR 154 N -3.79 1.20 -0.25 -5.38 2.01 -0.65 -1.85 115.64 106.94 1lud s THR 154 Ca 0.03 -1.49 -0.08 0.00 0.31 0.00 0.00 61.69 60.46 1lud s THR 154 Cb -0.02 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1lud s THR 154 CO -0.09 -0.31 0.09 -0.31 -0.69 0.00 0.00 174.62 173.30 1lud s TYR 155 N -1.68 3.13 -0.21 4.92 2.02 -0.01 -1.84 117.35 123.68 1lud s TYR 155 Ca 0.03 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 1lud s TYR 155 Cb -0.08 -2.24 -0.00 0.00 -0.40 0.00 0.00 41.96 39.24 1lud s TYR 155 CO 0.02 -0.26 -0.08 -1.21 -1.57 0.00 0.00 175.55 172.45 1lud s GLU 156 N 1.49 3.31 -0.18 -0.62 2.02 -0.34 -2.35 118.70 122.02 1lud s GLU 156 Ca 0.06 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 1lud s GLU 156 Cb -0.15 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 1lud s GLU 156 CO 0.05 -0.17 -0.05 0.08 0.02 0.00 0.00 175.26 175.19 1lud s VAL 157 N 1.35 3.57 0.27 2.63 1.01 -0.45 -1.81 120.40 126.97 1lud s VAL 157 Ca 0.04 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1lud s VAL 157 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1lud s VAL 157 CO -0.04 0.46 -0.02 0.26 0.00 0.00 0.00 175.10 175.76 1lud s TRP 158 N 0.87 2.66 0.01 5.22 0.52 0.16 -0.99 118.94 127.38 1lud s TRP 158 Ca -0.01 -0.23 0.01 0.00 0.02 0.00 0.00 56.10 55.89 1lud s TRP 158 Cb -0.15 -1.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.99 1lud s TRP 158 CO 0.01 0.63 -0.04 -0.65 0.02 0.00 0.00 176.95 176.92 1lud s GLN 159 N -3.65 0.33 -0.08 4.98 -1.52 -0.67 -1.92 119.66 117.13 1lud s GLN 159 Ca 0.31 -0.27 -0.30 0.00 -1.95 0.00 0.00 55.36 53.15 1lud s GLN 159 Cb -0.06 -0.24 -0.04 0.00 -0.22 0.00 0.00 33.01 32.45 1lud s GLN 159 CO 0.19 0.06 1.33 0.21 -0.25 0.00 0.00 175.29 176.83 1lud s LYS 160 N -0.44 4.27 0.63 2.91 2.20 -1.04 -2.70 119.74 125.57 1lud s LYS 160 Ca -0.02 1.81 -0.04 0.00 -0.36 0.00 0.00 55.97 57.36 1lud s LYS 160 Cb -0.03 -3.68 0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1lud s LYS 160 CO -0.00 -0.61 0.91 0.15 -0.36 0.00 0.00 175.35 175.44 1lud s LYS 161 N 2.89 2.48 0.00 4.03 -0.14 -1.26 -5.01 119.74 122.74 1lud s LYS 161 Ca 0.60 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 1lud s LYS 161 Cb -0.27 -2.29 0.00 0.00 -1.68 0.00 0.00 37.83 33.59 1lud s LYS 161 CO 0.22 -0.94 0.24 0.00 -0.76 0.00 0.00 175.35 174.10