#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 1.62 -0.14 2.41 0.00 0.42 0.12 121.76 126.19 1lud s ALA 2 Ca 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 1lud s ALA 2 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1lud s ALA 2 CO 0.00 0.25 0.06 -0.06 0.00 0.00 0.00 175.76 176.00 1lud s PHE 3 N -1.51 3.29 -0.34 0.00 0.08 0.10 0.11 117.98 119.72 1lud s PHE 3 Ca 0.06 0.19 -0.00 0.00 0.12 0.00 0.00 56.93 57.30 1lud s PHE 3 Cb -0.08 -1.97 0.11 0.00 -0.57 0.00 0.00 43.02 40.51 1lud s PHE 3 CO 0.04 0.36 0.14 -1.17 -0.10 0.00 0.00 175.22 174.49 1lud s LEU 4 N -0.27 2.25 -0.02 -0.37 2.96 -0.76 0.13 118.68 122.60 1lud s LEU 4 Ca 0.08 -1.91 -0.03 0.00 -0.22 0.00 0.00 54.13 52.06 1lud s LEU 4 Cb -0.12 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.70 1lud s LEU 4 CO 0.02 -0.37 0.06 -1.66 -1.32 0.00 0.00 176.35 173.08 1lud s TRP 5 N 1.28 -0.02 -0.17 5.38 -2.14 -0.61 -4.48 118.94 118.19 1lud s TRP 5 Ca 0.12 0.06 -0.10 0.00 2.66 0.00 0.00 56.10 58.85 1lud s TRP 5 Cb -0.19 -0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.12 1lud s TRP 5 CO -0.17 -0.08 0.16 0.00 -2.66 0.00 0.00 176.95 174.20 1lud s ALA 6 N -0.29 3.72 0.10 2.67 0.00 -1.26 -2.63 121.76 124.07 1lud s ALA 6 Ca -0.03 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1lud s ALA 6 Cb -0.02 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1lud s ALA 6 CO 0.00 0.27 -0.09 1.14 0.00 0.00 0.00 175.76 177.09 1lud s GLN 7 N -0.01 0.84 0.11 0.00 -2.07 0.77 -4.53 119.66 114.77 1lud s GLN 7 Ca 0.11 -1.21 -0.02 0.00 -1.82 0.00 0.00 55.36 52.43 1lud s GLN 7 Cb -0.12 -0.42 0.03 0.00 -1.09 0.00 0.00 33.01 31.40 1lud s GLN 7 CO 0.01 0.05 0.16 -0.40 -1.32 0.00 0.00 175.29 173.78 1lud n ASP 8 N 0.38 0.06 -0.30 12.60 5.68 -1.22 -1.94 116.55 131.80 1lud n ASP 8 Ca -0.15 -1.08 0.01 0.00 -0.50 0.00 0.00 54.79 53.06 1lud n ASP 8 Cb 0.59 -0.12 0.14 0.00 -1.14 0.00 0.00 41.12 40.59 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 0.90 0.00 0.11 -0.00 -1.56 -1.39 114.38 112.44 1lud h ARG 9 Ca -0.05 -0.05 -0.12 0.00 -0.00 0.00 0.00 59.98 59.75 1lud h ARG 9 Cb 0.15 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.97 29.90 1lud h ARG 9 CO 0.04 0.60 -0.58 -0.44 -0.00 0.00 0.00 179.97 179.59 1lud h ASP 10 N 0.93 0.00 0.00 0.08 3.32 -1.90 -3.47 116.42 115.38 1lud h ASP 10 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1lud h ASP 10 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1lud h ASP 10 CO -0.18 0.58 0.00 0.61 -1.72 0.00 0.00 179.24 178.53 1lud n GLY 11 N 0.14 1.09 3.90 2.75 0.00 -0.52 -5.08 105.19 107.47 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 3.27 0.00 0.99 2.96 -1.26 -3.38 118.68 121.26 1lud s LEU 12 Ca 0.00 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1lud s LEU 12 Cb 0.00 -3.86 0.00 0.00 0.50 0.00 0.00 46.19 42.83 1lud s LEU 12 CO 0.00 -0.96 0.00 2.30 -1.32 0.00 0.00 176.35 176.37 1lud n ILE 13 N -2.61 0.00 0.00 6.68 -5.35 -0.86 -3.41 119.36 113.81 1lud n ILE 13 Ca 0.04 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1lud n ILE 13 Cb 0.56 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 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 0.54 3.57 3.21 3.28 0.00 -1.24 -4.90 105.19 109.66 1lud n GLY 14 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.51 3.09 -1.28 1.61 2.36 -1.23 -3.96 119.74 119.82 1lud s LYS 15 Ca 0.00 -0.83 -0.04 0.00 -2.55 0.00 0.00 55.97 52.56 1lud s LYS 15 Cb 0.00 -2.46 -0.01 0.00 -1.05 0.00 0.00 37.83 34.32 1lud s LYS 15 CO 0.00 0.05 0.68 -0.25 1.55 0.00 0.00 175.35 177.38 1lud n ASP 16 N 3.91 -1.96 0.00 1.43 8.00 -1.26 -3.67 116.55 123.00 1lud n ASP 16 Ca -0.19 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1lud n ASP 16 Cb 0.52 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 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 -1.64 2.26 3.73 0.44 0.00 -1.26 -4.89 105.19 103.83 1lud n GLY 17 Ca -0.26 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 3.05 0.85 1.61 -3.43 -1.24 -4.95 115.29 111.18 1lud s HIS 18 Ca 0.00 0.83 -0.13 0.00 -0.80 0.00 0.00 55.06 54.96 1lud s HIS 18 Cb 0.00 -3.87 0.04 0.00 -1.43 0.00 0.00 32.58 27.33 1lud s HIS 18 CO 0.00 -3.01 0.73 1.28 -2.00 0.00 0.00 174.74 171.74 1lud n LEU 19 N 3.19 1.65 0.09 5.38 4.77 -1.26 -3.53 117.00 127.30 1lud n LEU 19 Ca 0.10 0.47 -0.14 0.00 -0.03 0.00 0.00 56.01 56.41 1lud n LEU 19 Cb 0.39 -1.32 -0.12 0.00 -2.33 0.00 0.00 43.42 40.05 1lud n LEU 19 CO 0.61 -2.83 0.02 1.55 -1.33 0.00 0.00 177.39 175.40 1lud h PRO 20 N -1.14 0.24 -5.66 3.23 0.14 -1.91 -3.45 132.00 123.46 1lud h PRO 20 Ca -0.45 -0.38 -0.66 0.00 0.14 0.00 0.00 66.00 64.65 1lud h PRO 20 Cb 1.30 0.14 -0.16 0.00 0.14 0.00 0.00 31.00 32.42 1lud h PRO 20 CO 0.40 1.17 -0.61 1.67 0.14 0.00 0.00 178.00 180.76 1lud s TRP 21 N -2.75 3.17 -0.79 1.56 -2.14 -1.26 -5.03 118.94 111.71 1lud s TRP 21 Ca -0.03 0.08 -0.20 0.00 2.66 0.00 0.00 56.10 58.60 1lud s TRP 21 Cb 0.08 -1.90 0.11 0.00 -3.10 0.00 0.00 33.47 28.66 1lud s TRP 21 CO 0.87 0.31 1.01 -1.58 -2.66 0.00 0.00 176.95 174.90 1lud s HIS 22 N -0.35 2.95 -0.35 1.66 2.46 -1.26 -4.95 115.29 115.44 1lud s HIS 22 Ca 0.07 -1.03 0.01 0.00 0.47 0.00 0.00 55.06 54.58 1lud s HIS 22 Cb -0.12 -4.25 0.11 0.00 -0.13 0.00 0.00 32.58 28.19 1lud s HIS 22 CO 0.02 -1.52 0.12 -1.17 -2.47 0.00 0.00 174.74 169.72 1lud s LEU 23 N 3.17 3.21 0.25 8.88 2.96 -1.26 -4.97 118.68 130.93 1lud s LEU 23 Ca 0.26 -2.06 -0.00 0.00 -0.22 0.00 0.00 54.13 52.11 1lud s LEU 23 Cb -0.12 -1.17 0.31 0.00 0.50 0.00 0.00 46.19 45.71 1lud s LEU 23 CO -0.00 -0.37 1.67 1.55 -1.32 0.00 0.00 176.35 177.88 1lud h PRO 24 N 7.60 0.57 0.00 0.98 0.14 -1.99 -2.69 132.00 136.61 1lud h PRO 24 Ca -0.08 -0.23 -0.03 0.00 0.14 0.00 0.00 66.00 65.79 1lud h PRO 24 Cb 0.99 -0.02 -0.00 0.00 0.14 0.00 0.00 31.00 32.10 1lud h PRO 24 CO 0.50 0.79 -0.16 0.22 0.14 0.00 0.00 178.00 179.50 1lud h ASP 25 N 0.49 0.00 -0.02 1.44 1.82 -1.98 -2.57 116.42 115.59 1lud h ASP 25 Ca 0.07 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.56 1lud h ASP 25 Cb 0.74 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.76 1lud h ASP 25 CO 0.06 0.16 -0.57 -0.78 -1.61 0.00 0.00 179.24 176.50 1lud h ASP 26 N 0.00 0.54 -0.97 2.28 3.58 -1.91 -2.96 116.42 116.98 1lud h ASP 26 Ca -0.00 -0.73 0.16 0.00 0.42 0.00 0.00 57.03 56.88 1lud h ASP 26 Cb 0.30 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 41.10 1lud h ASP 26 CO 0.02 1.20 0.61 -0.07 -2.88 0.00 0.00 179.24 178.12 1lud h LEU 27 N -0.07 0.75 -0.74 2.28 3.38 -1.34 0.26 115.31 119.84 1lud h LEU 27 Ca -0.06 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1lud h LEU 27 Cb 1.27 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1lud h LEU 27 CO 0.11 0.33 -0.07 0.45 0.09 0.00 0.00 178.44 179.35 1lud h HIS 28 N 0.77 0.97 -0.28 1.13 3.86 -1.49 -1.75 115.15 118.35 1lud h HIS 28 Ca 0.52 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.51 1lud h HIS 28 Cb 0.79 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1lud h HIS 28 CO -0.00 0.92 -0.01 -0.92 0.86 0.00 0.00 177.93 178.78 1lud h TYR 29 N 0.81 0.44 -0.03 2.45 3.20 -0.39 0.42 116.97 123.87 1lud h TYR 29 Ca 0.14 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1lud h TYR 29 Cb 0.58 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1lud h TYR 29 CO 0.03 0.45 -0.02 0.35 -1.64 0.00 0.00 178.16 177.33 1lud h PHE 30 N 0.41 0.08 -0.41 -3.82 3.57 -0.47 0.02 116.94 116.32 1lud h PHE 30 Ca 0.09 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1lud h PHE 30 Cb 0.29 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1lud h PHE 30 CO 0.01 0.49 -0.04 -0.09 -2.23 0.00 0.00 178.31 176.44 1lud h ARG 31 N -0.36 0.68 -0.35 1.11 1.12 -1.08 -2.65 114.38 112.86 1lud h ARG 31 Ca 0.01 -0.19 -0.16 0.00 -1.11 0.00 0.00 59.98 58.53 1lud h ARG 31 Cb 0.47 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.35 1lud h ARG 31 CO 0.01 0.73 -0.39 0.00 -3.11 0.00 0.00 179.97 177.20 1lud h ALA 32 N 1.32 0.52 0.00 2.80 0.00 -0.86 -2.82 119.26 120.22 1lud h ALA 32 Ca 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1lud h ALA 32 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1lud h ALA 32 CO 0.02 0.63 0.00 1.04 0.00 0.00 0.00 179.25 180.94 1lud n GLN 33 N -4.09 0.09 -0.64 0.00 1.13 -0.01 -2.79 117.38 111.06 1lud n GLN 33 Ca -0.03 0.36 0.06 0.00 -1.94 0.00 0.00 57.00 55.45 1lud n GLN 33 Cb 0.55 -1.68 0.20 0.00 0.11 0.00 0.00 30.24 29.42 1lud n GLN 33 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1lud n THR 34 N -1.85 2.09 -2.85 5.09 -2.24 -1.02 -4.95 114.28 108.55 1lud n THR 34 Ca 0.02 -3.12 -0.42 0.00 -2.27 0.00 0.00 64.05 58.27 1lud n THR 34 Cb 0.18 -0.17 -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 -3.06 4.84 -0.18 2.28 -7.23 -1.12 -3.55 120.40 112.37 1lud s VAL 35 Ca 0.38 1.68 0.00 0.00 -1.81 0.00 0.00 61.98 62.23 1lud s VAL 35 Cb 0.37 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1lud s VAL 35 CO -0.07 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1lud n GLY 36 N 3.52 0.50 3.42 2.32 0.00 -1.25 -5.01 105.19 108.68 1lud n GLY 36 Ca 0.06 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.13 1.52 -0.12 1.61 1.02 -1.23 -4.67 119.74 116.74 1lud s LYS 37 Ca 0.00 -1.74 -0.29 0.00 0.02 0.00 0.00 55.97 53.95 1lud s LYS 37 Cb 0.00 -1.23 -0.02 0.00 -0.52 0.00 0.00 37.83 36.06 1lud s LYS 37 CO 0.00 0.11 1.26 0.42 -0.92 0.00 0.00 175.35 176.22 1lud s ILE 38 N -2.94 4.23 -0.35 2.17 1.01 -1.08 -3.37 121.20 120.88 1lud s ILE 38 Ca 0.28 1.51 -0.10 0.00 0.00 0.00 0.00 60.65 62.34 1lud s ILE 38 Cb 0.02 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.53 1lud s ILE 38 CO 0.11 -0.09 0.18 -0.32 0.00 0.00 0.00 174.94 174.83 1lud s MET 39 N 3.07 3.00 -0.30 2.79 1.75 0.09 0.58 119.30 130.29 1lud s MET 39 Ca 0.56 -0.96 -0.16 0.00 -1.25 0.00 0.00 55.69 53.88 1lud s MET 39 Cb -0.23 -3.66 -0.02 0.00 2.84 0.00 0.00 34.83 33.75 1lud s MET 39 CO 0.18 -0.60 0.43 0.08 -0.65 0.00 0.00 175.02 174.46 1lud s VAL 40 N 1.57 5.12 -0.03 10.11 1.01 0.44 0.75 120.40 139.36 1lud s VAL 40 Ca 0.03 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1lud s VAL 40 Cb -0.18 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1lud s VAL 40 CO 0.06 0.02 -0.07 0.68 0.00 0.00 0.00 175.10 175.79 1lud s VAL 41 N 2.19 0.67 0.42 2.92 -7.23 -0.73 0.06 120.40 118.70 1lud s VAL 41 Ca 0.17 -0.28 -0.26 0.00 -1.81 0.00 0.00 61.98 59.80 1lud s VAL 41 Cb -0.16 -0.62 -0.10 0.00 0.56 0.00 0.00 36.38 36.07 1lud s VAL 41 CO 0.11 0.22 1.32 0.61 -0.31 0.00 0.00 175.10 177.06 1lud n GLY 42 N 3.48 0.70 0.25 2.32 0.00 0.25 -2.34 105.19 109.85 1lud n GLY 42 Ca -0.20 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 2.22 0.00 0.10 1.61 1.12 -1.36 0.65 114.38 118.72 1lud h ARG 43 Ca -0.49 0.00 -0.27 0.00 -1.11 0.00 0.00 59.98 58.11 1lud h ARG 43 Cb 1.28 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.24 1lud h ARG 43 CO 0.61 0.00 -1.40 0.00 -3.11 0.00 0.00 179.97 176.06 1lud h ARG 44 N 0.00 0.21 -0.17 0.20 3.08 -1.88 -2.51 114.38 113.31 1lud h ARG 44 Ca 0.00 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.63 1lud h ARG 44 Cb 0.42 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1lud h ARG 44 CO 0.00 1.17 -0.12 1.15 -1.07 0.00 0.00 179.97 181.10 1lud h THR 45 N -0.37 1.33 -0.89 2.04 2.02 -1.71 -1.65 112.91 113.69 1lud h THR 45 Ca -0.31 -1.23 0.07 0.00 0.77 0.00 0.00 66.41 65.71 1lud h THR 45 Cb 1.71 1.77 -0.07 0.00 -1.74 0.00 0.00 68.15 69.83 1lud h THR 45 CO 0.03 0.37 0.55 0.22 0.37 0.00 0.00 175.52 177.06 1lud h TYR 46 N 0.04 1.02 0.00 3.16 3.20 -1.05 0.48 116.97 123.82 1lud h TYR 46 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1lud h TYR 46 Cb 0.63 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1lud h TYR 46 CO 0.07 0.51 0.00 0.39 -1.64 0.00 0.00 178.16 177.49 1lud n GLU 47 N -4.61 0.08 0.00 1.82 1.02 -0.95 -2.16 120.64 115.85 1lud n GLU 47 Ca 0.13 0.28 0.11 0.00 -0.02 0.00 0.00 57.16 57.66 1lud n GLU 47 Cb 0.20 -1.65 -0.15 0.00 -0.02 0.00 0.00 31.44 29.82 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 -1.80 0.14 -4.06 1.62 7.64 0.13 -5.00 113.62 112.29 1lud n SER 48 Ca 0.04 -0.03 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1lud n SER 48 Cb 0.23 1.79 0.04 0.00 -1.01 0.00 0.00 64.21 65.27 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 -2.25 -4.74 -0.02 1.43 3.01 0.84 -4.96 117.46 110.77 1lud n PHE 49 Ca -0.03 0.02 -0.01 0.00 1.01 0.00 0.00 57.45 58.44 1lud n PHE 49 Cb 0.55 -1.48 -0.00 0.00 -0.01 0.00 0.00 39.48 38.54 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 -0.97 0.00 -4.21 -1.08 0.13 -1.91 -3.45 132.00 120.51 1lud h PRO 50 Ca -0.44 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 1lud h PRO 50 Cb 1.31 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.04 1lud h PRO 50 CO 0.25 0.00 -0.72 0.15 -0.23 0.00 0.00 178.00 177.46 1lud s LYS 51 N -1.31 1.39 0.09 0.86 1.02 -1.26 -5.09 119.74 115.43 1lud s LYS 51 Ca -0.02 -1.83 0.04 0.00 0.02 0.00 0.00 55.97 54.18 1lud s LYS 51 Cb 0.00 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1lud s LYS 51 CO 0.03 -0.98 -0.11 -0.98 -0.92 0.00 0.00 175.35 172.39 1lud s ARG 52 N 0.85 0.83 0.91 1.68 1.70 -1.26 -4.49 118.95 119.18 1lud s ARG 52 Ca 0.12 -1.10 -0.14 0.00 -0.47 0.00 0.00 55.73 54.13 1lud s ARG 52 Cb -0.20 -0.58 0.17 0.00 -0.57 0.00 0.00 34.95 33.77 1lud s ARG 52 CO -0.10 0.10 1.27 -1.25 -1.08 0.00 0.00 175.30 174.24 1lud s PRO 53 N -2.53 0.99 0.29 3.89 0.05 -1.26 -5.13 135.00 131.31 1lud s PRO 53 Ca 0.03 -0.34 -0.19 0.00 0.05 0.00 0.00 61.00 60.56 1lud s PRO 53 Cb -0.05 -1.90 -0.09 0.00 0.05 0.00 0.00 34.50 32.52 1lud s PRO 53 CO 0.01 -2.18 0.78 -0.51 0.05 0.00 0.00 177.00 175.15 1lud s LEU 54 N -5.78 4.19 0.26 -3.56 1.43 -1.26 -5.03 118.68 108.93 1lud s LEU 54 Ca 0.71 1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 54.96 1lud s LEU 54 Cb -0.05 -3.93 -0.10 0.00 0.03 0.00 0.00 46.19 42.14 1lud s LEU 54 CO 0.52 -0.11 1.36 -2.16 0.23 0.00 0.00 176.35 176.18 1lud s PRO 55 N -2.50 4.33 -1.70 1.29 0.04 -1.26 -3.17 135.00 132.03 1lud s PRO 55 Ca 0.50 2.20 -0.18 0.00 0.04 0.00 0.00 61.00 63.56 1lud s PRO 55 Cb -0.14 -3.12 0.15 0.00 0.04 0.00 0.00 34.50 31.43 1lud s PRO 55 CO 0.19 -0.30 0.75 0.39 0.04 0.00 0.00 177.00 178.07 1lud n GLU 56 N 1.97 -2.99 -4.09 4.56 4.71 -1.26 -4.93 120.64 118.60 1lud n GLU 56 Ca 0.05 0.36 -0.14 0.00 -0.01 0.00 0.00 57.16 57.41 1lud n GLU 56 Cb 0.41 -5.03 -0.14 0.00 -1.01 0.00 0.00 31.44 25.68 1lud n GLU 56 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1lud s ARG 57 N -6.94 0.37 -0.33 3.49 0.52 -1.19 -3.94 118.95 110.93 1lud s ARG 57 Ca 0.70 -0.27 -0.25 0.00 -0.52 0.00 0.00 55.73 55.39 1lud s ARG 57 Cb -0.38 -0.30 0.01 0.00 0.52 0.00 0.00 34.95 34.79 1lud s ARG 57 CO 0.93 0.08 0.86 0.99 0.02 0.00 0.00 175.30 178.18 1lud s THR 58 N -0.38 4.70 -0.10 0.02 2.01 -1.22 -4.73 115.64 115.95 1lud s THR 58 Ca -0.01 1.23 0.03 0.00 0.31 0.00 0.00 61.69 63.25 1lud s THR 58 Cb -0.03 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 1lud s THR 58 CO -0.00 -0.36 -0.22 0.20 -0.69 0.00 0.00 174.62 173.55 1lud s ASN 59 N 1.70 3.26 -0.06 3.53 0.01 -1.26 -0.73 114.94 121.39 1lud s ASN 59 Ca 0.35 -0.52 0.05 0.00 -0.71 0.00 0.00 52.86 52.03 1lud s ASN 59 Cb -0.13 -1.44 -0.00 0.00 0.41 0.00 0.00 41.25 40.08 1lud s ASN 59 CO 0.15 0.16 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.00 1lud s VAL 60 N 0.33 1.73 0.14 1.60 1.01 0.23 0.69 120.40 126.14 1lud s VAL 60 Ca -0.17 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1lud s VAL 60 Cb -0.18 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1lud s VAL 60 CO 0.08 0.49 0.12 -0.69 0.00 0.00 0.00 175.10 175.10 1lud s VAL 61 N 0.05 4.52 -0.16 2.92 1.01 0.30 -1.76 120.40 127.28 1lud s VAL 61 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1lud s VAL 61 Cb -0.14 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1lud s VAL 61 CO 0.04 -0.04 -0.21 -0.76 0.00 0.00 0.00 175.10 174.13 1lud s LEU 62 N -2.89 2.10 0.12 3.92 1.02 -0.99 -2.34 118.68 119.62 1lud s LEU 62 Ca 0.31 -0.62 -0.10 0.00 0.02 0.00 0.00 54.13 53.74 1lud s LEU 62 Cb -0.11 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.66 1lud s LEU 62 CO 0.23 0.04 0.26 0.28 0.02 0.00 0.00 176.35 177.18 1lud s THR 63 N 1.02 0.10 -1.76 5.49 -1.32 -1.05 -0.88 115.64 117.24 1lud s THR 63 Ca -0.02 -1.17 0.22 0.00 -1.21 0.00 0.00 61.69 59.50 1lud s THR 63 Cb -0.14 -1.52 0.68 0.00 -1.51 0.00 0.00 72.50 70.01 1lud s THR 63 CO -0.07 -0.46 1.57 1.41 -2.21 0.00 0.00 174.62 174.87 1lud n HIS 64 N -0.15 1.14 -1.83 9.09 8.25 -1.26 -4.25 115.22 126.21 1lud n HIS 64 Ca -0.12 -0.53 -0.26 0.00 -0.26 0.00 0.00 57.72 56.55 1lud n HIS 64 Cb 0.63 -0.07 0.18 0.00 1.12 0.00 0.00 29.99 31.85 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 1.54 -1.14 -0.00 -0.41 3.00 -1.26 -5.03 117.38 114.08 1lud n GLN 65 Ca 0.25 -1.84 -0.00 0.00 -0.01 0.00 0.00 57.00 55.40 1lud n GLN 65 Cb 0.70 -1.21 -0.00 0.00 0.00 0.00 0.00 30.24 29.73 1lud n GLN 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1lud n GLU 66 N -3.50 3.83 -1.62 -1.09 -0.58 -1.26 -4.74 120.64 111.69 1lud n GLU 66 Ca 0.15 -0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.65 1lud n GLU 66 Cb 0.51 -1.01 0.07 0.00 -0.57 0.00 0.00 31.44 30.44 1lud n GLU 66 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1lud n ASP 67 N -2.03 5.36 -4.66 1.62 2.03 -1.26 -5.02 116.55 112.59 1lud n ASP 67 Ca -0.01 -3.77 -0.42 0.00 0.52 0.00 0.00 54.79 51.11 1lud n ASP 67 Cb 0.51 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 40.30 1lud n ASP 67 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1lud s TYR 68 N -3.61 1.53 -0.36 -0.67 5.04 -1.26 -4.95 117.35 113.06 1lud s TYR 68 Ca 0.54 -0.21 -0.10 0.00 -2.44 0.00 0.00 57.07 54.86 1lud s TYR 68 Cb 0.44 -4.12 0.02 0.00 0.35 0.00 0.00 41.96 38.65 1lud s TYR 68 CO 0.02 -4.93 0.19 -0.65 -1.34 0.00 0.00 175.55 168.84 1lud s GLN 69 N 4.35 2.89 -0.36 4.97 -1.52 -1.26 -4.98 119.66 123.75 1lud s GLN 69 Ca 0.83 -1.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.21 1lud s GLN 69 Cb -0.39 -3.68 0.14 0.00 -0.22 0.00 0.00 33.01 28.86 1lud s GLN 69 CO 0.37 -0.65 0.21 0.00 -0.25 0.00 0.00 175.29 174.97 1lud s ALA 70 N 1.55 1.09 0.60 6.09 0.00 -1.26 -5.12 121.76 124.71 1lud s ALA 70 Ca 0.02 -1.92 -0.16 0.00 0.00 0.00 0.00 51.96 49.91 1lud s ALA 70 Cb -0.19 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1lud s ALA 70 CO 0.06 -2.07 1.07 -0.65 0.00 0.00 0.00 175.76 174.17 1lud s GLN 71 N 1.04 3.24 0.00 0.00 -0.21 -1.26 -3.33 119.66 119.13 1lud s GLN 71 Ca 0.17 1.24 0.00 0.00 0.02 0.00 0.00 55.36 56.79 1lud s GLN 71 Cb -0.23 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 31.76 1lud s GLN 71 CO -0.02 -0.88 0.00 0.41 -2.12 0.00 0.00 175.29 172.68 1lud n GLY 72 N -0.90 1.61 3.66 3.09 0.00 -1.26 -4.93 105.19 106.46 1lud n GLY 72 Ca 0.09 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1lud n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lud n ALA 73 N 0.00 1.03 -2.54 4.61 0.00 -1.21 -4.70 120.51 117.71 1lud n ALA 73 Ca 0.00 -2.02 -0.33 0.00 0.00 0.00 0.00 53.44 51.09 1lud n ALA 73 Cb 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 19.45 19.98 1lud n ALA 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lud s VAL 74 N -2.47 3.21 -0.13 0.00 1.01 0.22 -4.90 120.40 117.33 1lud s VAL 74 Ca 0.47 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1lud s VAL 74 Cb -0.04 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1lud s VAL 74 CO 0.30 0.59 -0.09 -0.69 0.00 0.00 0.00 175.10 175.21 1lud s VAL 75 N -0.68 3.47 0.06 2.92 1.01 -1.26 -0.54 120.40 125.37 1lud s VAL 75 Ca 0.10 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1lud s VAL 75 Cb -0.11 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1lud s VAL 75 CO 0.01 0.52 0.02 0.68 0.00 0.00 0.00 175.10 176.33 1lud s VAL 76 N 0.21 0.20 -0.04 2.92 -7.23 -0.99 -4.96 120.40 110.51 1lud s VAL 76 Ca -0.05 -1.66 0.23 0.00 -1.81 0.00 0.00 61.98 58.69 1lud s VAL 76 Cb -0.15 -1.48 0.43 0.00 0.56 0.00 0.00 36.38 35.74 1lud s VAL 76 CO 0.04 -0.91 1.18 1.41 -0.31 0.00 0.00 175.10 176.51 1lud n HIS 77 N 0.07 0.01 -3.23 2.82 8.25 -1.26 -2.54 115.22 119.33 1lud n HIS 77 Ca -0.14 -0.69 0.04 0.00 -0.26 0.00 0.00 57.72 56.67 1lud n HIS 77 Cb 0.61 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 1lud n HIS 77 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1lud s ASP 78 N -2.23 -0.70 0.54 0.41 2.15 -1.26 -4.91 116.67 110.67 1lud s ASP 78 Ca 0.35 0.59 0.44 0.00 0.43 0.00 0.00 52.55 54.36 1lud s ASP 78 Cb 0.39 1.65 1.65 0.00 -0.30 0.00 0.00 42.92 46.31 1lud s ASP 78 CO -0.15 -0.13 1.65 0.58 -0.17 0.00 0.00 175.17 176.95 1lud h VAL 79 N 5.53 0.14 -0.73 1.11 2.07 -2.00 0.75 116.25 123.12 1lud h VAL 79 Ca -0.16 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1lud h VAL 79 Cb 1.15 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1lud h VAL 79 CO 0.03 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.08 1lud h ALA 80 N 1.18 0.96 -0.25 1.67 0.00 -1.99 -1.05 119.26 119.77 1lud h ALA 80 Ca 0.82 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.67 1lud h ALA 80 Cb 3.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 20.76 1lud h ALA 80 CO -0.05 0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.45 1lud h ALA 81 N 1.32 0.34 -0.74 0.00 0.00 0.11 -2.65 119.26 117.63 1lud h ALA 81 Ca 0.30 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.06 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 -0.12 0.06 0.43 0.28 0.00 0.00 0.00 179.25 179.89 1lud h VAL 82 N 0.23 0.98 0.00 0.00 2.07 -1.33 0.48 116.25 118.67 1lud h VAL 82 Ca 0.07 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1lud h VAL 82 Cb 0.39 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1lud h VAL 82 CO 0.01 0.14 -0.08 -0.26 0.02 0.00 0.00 177.57 177.40 1lud h PHE 83 N 0.77 0.00 0.00 1.57 0.04 -1.04 -2.04 116.94 116.24 1lud h PHE 83 Ca 0.33 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.95 1lud h PHE 83 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1lud h PHE 83 CO -0.06 0.08 -0.70 0.00 -0.60 0.00 0.00 178.31 177.03 1lud h ALA 84 N 1.92 0.80 -0.00 2.45 0.00 -0.55 -2.99 119.26 120.90 1lud h ALA 84 Ca -0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 1lud h ALA 84 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lud h ALA 84 CO 0.01 0.87 -0.00 -0.92 0.00 0.00 0.00 179.25 179.21 1lud h TYR 85 N 0.00 0.00 -0.63 0.00 3.20 -1.11 -2.73 116.97 115.70 1lud h TYR 85 Ca -0.01 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1lud h TYR 85 Cb 1.27 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.47 1lud h TYR 85 CO 0.00 0.72 0.27 0.00 -1.64 0.00 0.00 178.16 177.51 1lud h ALA 86 N 0.28 0.83 0.00 1.82 0.00 -1.60 0.22 119.26 120.81 1lud h ALA 86 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1lud h ALA 86 Cb 0.72 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1lud h ALA 86 CO 0.00 -0.14 -0.14 -0.22 0.00 0.00 0.00 179.25 178.75 1lud h LYS 87 N 0.47 0.00 0.08 0.00 1.63 -1.58 -2.66 116.57 114.52 1lud h LYS 87 Ca 0.31 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.83 1lud h LYS 87 Cb 0.36 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1lud h LYS 87 CO -0.28 0.14 -1.38 0.37 -3.45 0.00 0.00 179.45 174.85 1lud h GLN 88 N 0.00 0.18 -5.55 1.90 4.15 -0.37 -3.44 115.11 111.98 1lud h GLN 88 Ca -0.00 -0.30 -0.62 0.00 0.77 0.00 0.00 58.65 58.49 1lud h GLN 88 Cb 0.28 0.11 -0.12 0.00 0.21 0.00 0.00 27.48 27.96 1lud h GLN 88 CO 0.02 1.05 0.19 -1.01 -1.93 0.00 0.00 178.83 177.15 1lud s HIS 89 N -2.64 3.18 -2.11 3.99 3.76 0.36 -4.90 115.29 116.92 1lud s HIS 89 Ca -0.05 0.51 0.16 0.00 -0.15 0.00 0.00 55.06 55.53 1lud s HIS 89 Cb 0.08 -3.11 0.68 0.00 1.11 0.00 0.00 32.58 31.34 1lud s HIS 89 CO 0.85 -0.57 1.47 -0.35 -0.85 0.00 0.00 174.74 175.30 1lud n PRO 90 N 6.03 1.43 0.00 8.40 -0.04 -1.26 -3.58 135.00 145.98 1lud n PRO 90 Ca -0.00 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1lud n PRO 90 Cb 0.49 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.08 0.13 -3.45 3.54 2.03 -1.26 -5.00 116.55 112.45 1lud n ASP 91 Ca 0.13 -1.07 -0.18 0.00 0.52 0.00 0.00 54.79 54.19 1lud n ASP 91 Cb 0.20 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.07 0.25 0.00 -0.67 0.74 -1.23 -4.90 119.66 113.77 1lud s GLN 92 Ca 0.00 0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.47 1lud s GLN 92 Cb 0.00 -0.96 0.00 0.00 1.10 0.00 0.00 33.01 33.15 1lud s GLN 92 CO 0.00 -0.81 0.00 0.39 -0.55 0.00 0.00 175.29 174.32 1lud n GLU 93 N 5.32 1.27 -3.74 1.67 1.02 -1.26 -4.59 120.64 120.32 1lud n GLU 93 Ca -0.04 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.73 1lud n GLU 93 Cb 0.48 0.00 -0.12 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 3.58 -0.14 -4.62 2.96 -1.26 -2.62 118.68 116.58 1lud s LEU 94 Ca 0.00 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1lud s LEU 94 Cb 0.00 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1lud s LEU 94 CO 0.00 -0.08 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.08 1lud s VAL 95 N 1.60 2.45 0.25 1.68 1.01 0.20 -0.44 120.40 127.14 1lud s VAL 95 Ca 0.06 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1lud s VAL 95 Cb -0.16 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 1lud s VAL 95 CO 0.04 0.53 0.54 -0.63 0.00 0.00 0.00 175.10 175.58 1lud s ILE 96 N 0.72 4.99 0.00 2.22 -1.09 0.30 -0.42 121.20 127.91 1lud s ILE 96 Ca -0.08 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1lud s ILE 96 Cb -0.16 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1lud s ILE 96 CO 0.01 -0.16 0.38 0.00 -1.23 0.00 0.00 174.94 173.94 1lud n ALA 97 N -0.42 1.29 0.00 9.38 0.00 0.11 -1.82 120.51 129.05 1lud n ALA 97 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1lud n ALA 97 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.07 -1.39 0.00 0.00 0.00 -1.11 -4.87 105.19 97.75 1lud n GLY 98 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.32 0.29 -0.02 0.00 -1.26 -0.59 105.19 102.29 1lud n GLY 99 Ca 0.00 -1.15 0.00 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 1.41 -0.89 4.61 0.00 -1.92 -2.44 119.26 118.03 1lud h ALA 100 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1lud h ALA 100 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1lud h ALA 100 CO 0.00 0.43 0.57 0.37 0.00 0.00 0.00 179.25 180.62 1lud h GLN 101 N 0.61 1.06 0.00 0.00 5.75 -1.96 -1.60 115.11 118.97 1lud h GLN 101 Ca 0.14 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1lud h GLN 101 Cb 0.21 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1lud h GLN 101 CO -0.01 0.70 -0.31 0.82 -2.65 0.00 0.00 178.83 177.39 1lud h ILE 102 N 1.10 0.59 0.00 2.39 1.08 -1.68 -3.01 117.51 117.98 1lud h ILE 102 Ca 0.36 -1.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.21 1lud h ILE 102 Cb 0.04 2.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.88 1lud h ILE 102 CO -0.13 0.30 -0.16 -0.26 -0.69 0.00 0.00 178.15 177.22 1lud h PHE 103 N 0.00 0.00 0.00 1.37 0.04 -0.97 -2.89 116.94 114.48 1lud h PHE 103 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1lud h PHE 103 Cb 1.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.22 1lud h PHE 103 CO 0.00 0.16 -0.12 1.15 -0.60 0.00 0.00 178.31 178.90 1lud h THR 104 N 0.00 1.61 -0.12 -1.55 2.02 -1.28 -1.38 112.91 112.21 1lud h THR 104 Ca -0.00 -2.26 -0.02 0.00 0.77 0.00 0.00 66.41 64.90 1lud h THR 104 Cb 0.89 3.09 -0.01 0.00 -1.74 0.00 0.00 68.15 70.38 1lud h THR 104 CO 0.02 0.55 -0.02 0.00 0.37 0.00 0.00 175.52 176.44 1lud h ALA 105 N -0.10 1.74 -0.00 6.16 0.00 -1.62 -1.96 119.26 123.48 1lud h ALA 105 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1lud h ALA 105 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1lud h ALA 105 CO -0.02 0.20 -0.58 1.19 0.00 0.00 0.00 179.25 180.04 1lud n PHE 106 N -4.41 0.00 -0.31 0.00 3.01 -1.09 -4.35 117.46 110.31 1lud n PHE 106 Ca -0.01 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.64 1lud n PHE 106 Cb 0.16 -0.12 0.45 0.00 -0.01 0.00 0.00 39.48 39.97 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 0.63 0.49 -0.46 -1.08 5.09 -0.42 -0.01 116.57 120.81 1lud h LYS 107 Ca 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 60.65 60.61 1lud h LYS 107 Cb 0.54 -0.11 -0.02 0.00 0.10 0.00 0.00 32.23 32.74 1lud h LYS 107 CO 0.00 0.33 -0.10 0.22 -2.09 0.00 0.00 179.45 177.80 1lud h ASP 108 N 0.51 0.83 -3.82 7.07 3.58 -1.76 -3.35 116.42 119.48 1lud h ASP 108 Ca 0.55 -0.25 -0.77 0.00 0.42 0.00 0.00 57.03 56.98 1lud h ASP 108 Cb 1.23 -0.22 -0.29 0.00 1.72 0.00 0.00 39.33 41.76 1lud h ASP 108 CO -0.29 0.96 0.06 -1.81 -2.88 0.00 0.00 179.24 175.28 1lud s ASP 109 N -6.68 6.52 -0.00 2.28 1.01 -0.02 -5.03 116.67 114.74 1lud s ASP 109 Ca -0.10 -2.95 0.07 0.00 0.71 0.00 0.00 52.55 50.28 1lud s ASP 109 Cb 0.14 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 1lud s ASP 109 CO 0.83 -0.46 -0.23 -0.69 0.21 0.00 0.00 175.17 174.84 1lud s VAL 110 N -0.24 2.35 0.00 -1.27 1.01 -1.25 -4.64 120.40 116.36 1lud s VAL 110 Ca 0.21 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1lud s VAL 110 Cb -0.12 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1lud s VAL 110 CO -0.08 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 174.85 1lud n ASP 111 N 2.14 2.59 -3.71 3.32 -0.08 0.32 -4.87 116.55 116.26 1lud n ASP 111 Ca -0.16 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.97 1lud n ASP 111 Cb 0.52 0.10 -0.15 0.00 2.34 0.00 0.00 41.12 43.93 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 -1.60 -0.15 -0.16 5.18 2.01 -1.06 -1.41 115.64 118.45 1lud s THR 112 Ca 0.00 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 1lud s THR 112 Cb 0.00 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 1lud s THR 112 CO 0.00 0.11 0.01 -0.76 -0.69 0.00 0.00 174.62 173.28 1lud s LEU 113 N 1.69 3.53 -0.31 4.42 1.43 -0.95 0.02 118.68 128.50 1lud s LEU 113 Ca -0.04 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1lud s LEU 113 Cb -0.12 -1.87 0.09 0.00 0.03 0.00 0.00 46.19 44.33 1lud s LEU 113 CO -0.06 0.19 0.03 -0.76 0.23 0.00 0.00 176.35 175.98 1lud s LEU 114 N 0.25 3.86 -0.02 1.79 1.43 0.35 0.47 118.68 126.80 1lud s LEU 114 Ca 0.00 -1.87 0.08 0.00 -1.03 0.00 0.00 54.13 51.31 1lud s LEU 114 Cb -0.13 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1lud s LEU 114 CO 0.02 -0.35 -0.25 0.54 0.23 0.00 0.00 176.35 176.53 1lud s VAL 115 N 1.13 2.01 -0.20 -1.59 0.11 -0.67 -1.57 120.40 119.62 1lud s VAL 115 Ca 0.07 -1.08 -0.05 0.00 -2.93 0.00 0.00 61.98 57.99 1lud s VAL 115 Cb -0.19 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 32.97 1lud s VAL 115 CO -0.11 0.57 0.00 -0.89 -3.33 0.00 0.00 175.10 171.34 1lud s THR 116 N -0.54 3.99 -0.31 5.04 2.01 -1.08 -1.31 115.64 123.44 1lud s THR 116 Ca 0.08 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 1lud s THR 116 Cb -0.10 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 1lud s THR 116 CO -0.00 0.43 0.15 -0.13 -0.69 0.00 0.00 174.62 174.38 1lud s ARG 117 N 0.98 3.29 0.43 4.92 0.52 -0.76 -0.16 118.95 128.17 1lud s ARG 117 Ca 0.02 -0.75 -0.16 0.00 -0.52 0.00 0.00 55.73 54.31 1lud s ARG 117 Cb -0.14 -3.57 -0.09 0.00 0.52 0.00 0.00 34.95 31.67 1lud s ARG 117 CO 0.02 -0.44 0.88 -0.51 0.02 0.00 0.00 175.30 175.27 1lud s LEU 118 N 1.61 3.85 0.16 2.53 1.02 -0.82 -1.47 118.68 125.57 1lud s LEU 118 Ca 0.04 1.45 0.12 0.00 0.02 0.00 0.00 54.13 55.77 1lud s LEU 118 Cb -0.17 -4.33 -0.09 0.00 0.02 0.00 0.00 46.19 41.62 1lud s LEU 118 CO 0.06 -0.40 1.24 0.00 0.02 0.00 0.00 176.35 177.27 1lud h ALA 119 N 1.56 0.55 -2.43 4.21 0.00 -0.73 -3.00 119.26 119.44 1lud h ALA 119 Ca -0.48 -0.77 -0.46 0.00 0.00 0.00 0.00 54.91 53.21 1lud h ALA 119 Cb 1.18 -0.02 0.14 0.00 0.00 0.00 0.00 17.79 19.10 1lud h ALA 119 CO 0.63 0.99 0.25 0.20 0.00 0.00 0.00 179.25 181.31 1lud s GLY 120 N -4.65 1.57 -0.21 0.00 0.00 -1.05 -4.79 107.32 98.18 1lud s GLY 120 Ca 0.01 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1lud s GLY 120 CO 0.79 0.14 -0.13 -0.45 0.00 0.00 0.00 173.10 173.45 1lud s SER 121 N -3.75 3.68 0.28 1.64 0.15 -1.26 -3.48 113.70 110.97 1lud s SER 121 Ca 0.64 -1.00 0.08 0.00 0.70 0.00 0.00 55.95 56.38 1lud s SER 121 Cb -0.17 -1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 1lud s SER 121 CO 0.55 -0.13 0.10 -0.36 1.20 0.00 0.00 173.24 174.60 1lud s PHE 122 N 1.28 2.82 0.24 3.44 0.40 -1.26 -5.07 117.98 119.83 1lud s PHE 122 Ca -0.02 -0.24 0.09 0.00 -0.60 0.00 0.00 56.93 56.16 1lud s PHE 122 Cb -0.17 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1lud s PHE 122 CO -0.08 0.50 0.03 -1.21 0.70 0.00 0.00 175.22 175.16 1lud s GLU 123 N -3.78 2.43 0.00 0.44 0.41 -1.26 -4.89 118.70 112.05 1lud s GLU 123 Ca 0.34 -1.29 0.00 0.00 -0.41 0.00 0.00 54.97 53.61 1lud s GLU 123 Cb -0.06 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 1lud s GLU 123 CO 0.22 0.39 0.00 0.41 -0.49 0.00 0.00 175.26 175.79 1lud n GLY 124 N -0.79 1.25 0.00 -1.39 0.00 -1.26 -4.89 105.19 98.11 1lud n GLY 124 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1lud n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lud n ASP 125 N 0.00 0.08 -4.36 1.61 -0.08 -1.26 -5.04 116.55 107.50 1lud n ASP 125 Ca 0.00 -0.03 -0.35 0.00 -1.51 0.00 0.00 54.79 52.90 1lud n ASP 125 Cb 0.00 0.07 -0.13 0.00 2.34 0.00 0.00 41.12 43.39 1lud n ASP 125 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1lud s THR 126 N -0.08 3.66 0.22 5.18 2.01 -1.25 -5.10 115.64 120.28 1lud s THR 126 Ca 0.00 -0.40 0.10 0.00 0.31 0.00 0.00 61.69 61.70 1lud s THR 126 Cb 0.00 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 1lud s THR 126 CO 0.00 0.40 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.62 1lud s LYS 127 N 1.46 1.45 0.93 4.92 1.02 -1.26 -2.02 119.74 126.24 1lud s LYS 127 Ca 0.05 -1.61 -0.11 0.00 0.02 0.00 0.00 55.97 54.32 1lud s LYS 127 Cb -0.14 -1.43 0.15 0.00 -0.52 0.00 0.00 37.83 35.88 1lud s LYS 127 CO -0.01 0.27 1.10 1.41 -0.92 0.00 0.00 175.35 177.20 1lud s MET 128 N -3.38 0.96 0.91 1.68 -2.45 -1.22 -4.85 119.30 110.95 1lud s MET 128 Ca 0.24 1.15 -0.12 0.00 -1.25 0.00 0.00 55.69 55.70 1lud s MET 128 Cb -0.04 -1.75 0.13 0.00 1.25 0.00 0.00 34.83 34.43 1lud s MET 128 CO 0.10 -2.54 1.12 0.96 1.05 0.00 0.00 175.02 175.71 1lud s ILE 129 N -2.74 2.28 -0.60 10.11 -4.36 -1.26 -4.94 121.20 119.68 1lud s ILE 129 Ca 0.65 0.09 -0.27 0.00 -0.26 0.00 0.00 60.65 60.86 1lud s ILE 129 Cb -0.21 -2.77 -0.00 0.00 1.25 0.00 0.00 42.46 40.74 1lud s ILE 129 CO 0.58 -0.12 1.60 -2.16 0.24 0.00 0.00 174.94 175.09 1lud s PRO 130 N -5.16 2.99 0.31 0.37 0.05 -1.26 -5.01 135.00 127.29 1lud s PRO 130 Ca 0.63 0.44 -0.05 0.00 0.05 0.00 0.00 61.00 62.08 1lud s PRO 130 Cb -0.16 -4.25 -0.05 0.00 0.05 0.00 0.00 34.50 30.09 1lud s PRO 130 CO 0.55 -2.32 0.57 -0.51 0.05 0.00 0.00 177.00 175.34 1lud s LEU 131 N 7.34 4.02 -1.11 -3.56 1.43 -1.26 -5.01 118.68 120.53 1lud s LEU 131 Ca 0.57 0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 54.34 1lud s LEU 131 Cb -0.12 -3.54 0.28 0.00 0.03 0.00 0.00 46.19 42.84 1lud s LEU 131 CO 0.22 -0.23 1.60 -3.20 0.23 0.00 0.00 176.35 174.97 1lud n ASN 132 N -1.10 6.33 0.06 2.29 5.15 -1.26 -4.80 115.26 121.93 1lud n ASN 132 Ca -0.02 -3.39 0.21 0.00 -0.60 0.00 0.00 54.58 50.79 1lud n ASN 132 Cb 0.54 -1.30 0.71 0.00 -0.53 0.00 0.00 39.78 39.21 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 5.35 0.00 0.00 1.20 4.06 -1.95 0.42 115.95 125.04 1lud h TRP 133 Ca 0.27 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.19 1lud h TRP 133 Cb 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1lud h TRP 133 CO 1.10 0.00 -0.14 0.22 -3.56 0.00 0.00 178.44 176.06 1lud h ASP 134 N 0.00 0.00 0.29 -3.49 1.82 -2.05 -1.82 116.42 111.17 1lud h ASP 134 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1lud h ASP 134 Cb 1.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1lud h ASP 134 CO -0.00 0.14 -0.52 -0.67 -1.61 0.00 0.00 179.24 176.58 1lud n ASP 135 N -3.79 0.88 -4.62 2.28 -0.08 0.15 -4.92 116.55 106.45 1lud n ASP 135 Ca -0.02 -0.69 -0.26 0.00 -1.51 0.00 0.00 54.79 52.31 1lud n ASP 135 Cb 0.24 0.37 -0.10 0.00 2.34 0.00 0.00 41.12 43.98 1lud n ASP 135 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1lud s PHE 136 N -2.81 2.51 -0.02 -0.67 0.40 -0.69 -3.89 117.98 112.81 1lud s PHE 136 Ca 0.15 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1lud s PHE 136 Cb 0.18 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 42.09 1lud s PHE 136 CO 0.67 0.45 -0.01 0.99 0.70 0.00 0.00 175.22 178.01 1lud s THR 137 N -2.62 0.22 -0.06 0.64 2.01 -1.12 -4.89 115.64 109.83 1lud s THR 137 Ca 0.35 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1lud s THR 137 Cb 0.05 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1lud s THR 137 CO 0.19 0.13 1.43 -0.75 -0.69 0.00 0.00 174.62 174.92 1lud s LYS 138 N 0.69 4.24 -0.01 4.92 2.36 -1.26 -1.99 119.74 128.69 1lud s LYS 138 Ca -0.07 1.94 0.19 0.00 -2.55 0.00 0.00 55.97 55.48 1lud s LYS 138 Cb -0.10 -3.74 -0.21 0.00 -1.05 0.00 0.00 37.83 32.72 1lud s LYS 138 CO -0.01 -0.69 0.57 1.33 1.55 0.00 0.00 175.35 178.10 1lud n VAL 139 N 5.09 0.78 -3.75 4.02 0.24 -0.00 -4.96 118.33 119.75 1lud n VAL 139 Ca 0.14 -0.65 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 1lud n VAL 139 Cb 0.44 -0.39 -0.10 0.00 -1.47 0.00 0.00 33.84 32.32 1lud n VAL 139 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1lud s SER 140 N -5.25 -0.29 -0.17 -1.34 0.15 -1.22 -5.04 113.70 100.54 1lud s SER 140 Ca -0.06 0.42 -0.13 0.00 0.70 0.00 0.00 55.95 56.88 1lud s SER 140 Cb 0.10 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.98 1lud s SER 140 CO 0.84 -0.28 0.43 -0.44 1.20 0.00 0.00 173.24 174.99 1lud s SER 141 N -0.54 -0.47 -0.08 5.45 0.01 -1.26 -1.35 113.70 115.46 1lud s SER 141 Ca -0.06 0.88 0.02 0.00 1.31 0.00 0.00 55.95 58.09 1lud s SER 141 Cb -0.04 0.85 0.02 0.00 0.21 0.00 0.00 66.02 67.06 1lud s SER 141 CO 0.02 -0.16 -0.12 -0.60 0.41 0.00 0.00 173.24 172.79 1lud s ARG 142 N 0.60 1.73 -0.19 12.44 3.52 -0.90 -4.96 118.95 131.21 1lud s ARG 142 Ca -0.03 -0.40 -0.07 0.00 -0.13 0.00 0.00 55.73 55.09 1lud s ARG 142 Cb -0.05 -1.50 -0.04 0.00 -1.56 0.00 0.00 34.95 31.80 1lud s ARG 142 CO -0.04 -0.04 0.06 0.99 -0.81 0.00 0.00 175.30 175.46 1lud s THR 143 N 0.91 4.77 -0.08 4.11 2.01 -1.26 -0.88 115.64 125.22 1lud s THR 143 Ca -0.10 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1lud s THR 143 Cb -0.15 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1lud s THR 143 CO 0.01 0.45 -0.13 0.54 -0.69 0.00 0.00 174.62 174.80 1lud s VAL 144 N 0.42 1.25 0.51 3.82 0.11 -0.93 -5.02 120.40 120.56 1lud s VAL 144 Ca 0.03 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 1lud s VAL 144 Cb -0.12 -1.15 -0.01 0.00 -1.53 0.00 0.00 36.38 33.56 1lud s VAL 144 CO 0.00 0.39 0.80 -1.61 -3.33 0.00 0.00 175.10 171.35 1lud s GLU 145 N 0.81 3.23 0.05 1.54 8.01 -1.26 -2.87 118.70 128.21 1lud s GLU 145 Ca -0.11 -0.02 -0.00 0.00 0.01 0.00 0.00 54.97 54.84 1lud s GLU 145 Cb -0.15 -2.38 -0.04 0.00 -4.31 0.00 0.00 34.13 27.25 1lud s GLU 145 CO 0.02 -0.38 -0.04 0.34 0.01 0.00 0.00 175.26 175.21 1lud s ASP 146 N -4.20 0.54 0.61 -0.19 2.15 -1.26 -4.94 116.67 109.37 1lud s ASP 146 Ca 0.50 -0.87 0.37 0.00 0.43 0.00 0.00 52.55 52.97 1lud s ASP 146 Cb -0.10 0.16 1.99 0.00 -0.30 0.00 0.00 42.92 44.67 1lud s ASP 146 CO 0.43 -0.50 2.12 0.71 -0.17 0.00 0.00 175.17 177.76 1lud h THR 147 N 3.52 0.00 -3.76 1.71 1.35 -1.99 -3.38 112.91 110.36 1lud h THR 147 Ca -0.34 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 64.88 1lud h THR 147 Cb 1.16 0.81 -0.18 0.00 -1.73 0.00 0.00 68.15 68.21 1lud h THR 147 CO 0.59 0.00 -0.55 0.21 -0.25 0.00 0.00 175.52 175.52 1lud s ASN 148 N -4.74 5.76 0.27 5.36 2.47 -1.26 -4.98 114.94 117.82 1lud s ASN 148 Ca -0.04 -0.05 -0.01 0.00 0.42 0.00 0.00 52.86 53.18 1lud s ASN 148 Cb 0.11 -2.05 0.59 0.00 -1.45 0.00 0.00 41.25 38.45 1lud s ASN 148 CO 0.33 -0.02 1.67 -0.65 -3.72 0.00 0.00 177.10 174.72 1lud h PRO 149 N 8.15 0.26 0.04 0.43 0.10 -2.00 -0.89 132.00 138.10 1lud h PRO 149 Ca -0.36 -0.02 -0.24 0.00 0.10 0.00 0.00 66.00 65.48 1lud h PRO 149 Cb 1.18 -0.06 -0.02 0.00 0.10 0.00 0.00 31.00 32.20 1lud h PRO 149 CO 0.58 0.17 -1.16 0.00 0.10 0.00 0.00 178.00 177.69 1lud h ALA 150 N 1.69 0.33 0.00 -0.75 0.00 -1.93 -3.24 119.26 115.36 1lud h ALA 150 Ca 0.49 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1lud h ALA 150 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1lud h ALA 150 CO -0.57 1.22 0.00 1.28 0.00 0.00 0.00 179.25 181.18 1lud n LEU 151 N -3.37 0.00 -4.77 0.00 4.77 -0.36 -2.53 117.00 110.74 1lud n LEU 151 Ca -0.05 0.06 -0.37 0.00 -0.03 0.00 0.00 56.01 55.62 1lud n LEU 151 Cb 0.98 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 42.02 1lud n LEU 151 CO 0.49 -0.03 0.84 -0.89 -1.33 0.00 0.00 177.39 176.47 1lud s THR 152 N -2.11 2.91 0.15 -5.08 2.01 -1.05 -4.69 115.64 107.78 1lud s THR 152 Ca 0.23 0.64 -0.25 0.00 0.31 0.00 0.00 61.69 62.62 1lud s THR 152 Cb 0.11 -3.30 0.06 0.00 0.01 0.00 0.00 72.50 69.38 1lud s THR 152 CO 0.20 -0.05 0.89 -1.38 -0.69 0.00 0.00 174.62 173.60 1lud s HIS 153 N -1.57 -0.19 0.09 4.92 -3.43 -1.14 -0.20 115.29 113.78 1lud s HIS 153 Ca 0.69 -0.11 0.05 0.00 -0.80 0.00 0.00 55.06 54.88 1lud s HIS 153 Cb -0.29 0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 31.46 1lud s HIS 153 CO 0.34 -0.86 -0.12 0.99 -2.00 0.00 0.00 174.74 173.10 1lud s THR 154 N -3.39 1.05 -0.21 -5.38 2.01 -0.54 -2.19 115.64 106.99 1lud s THR 154 Ca 0.10 -1.53 -0.07 0.00 0.31 0.00 0.00 61.69 60.51 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 0.01 -0.42 0.04 -0.31 -0.69 0.00 0.00 174.62 173.25 1lud s TYR 155 N -1.99 3.11 -0.16 4.92 2.02 -0.06 -1.83 117.35 123.36 1lud s TYR 155 Ca 0.03 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1lud s TYR 155 Cb -0.06 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1lud s TYR 155 CO 0.01 -0.16 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.45 1lud s GLU 156 N 1.03 3.13 -0.17 -0.62 8.01 -0.43 -2.11 118.70 127.54 1lud s GLU 156 Ca 0.03 -0.78 -0.03 0.00 0.01 0.00 0.00 54.97 54.21 1lud s GLU 156 Cb -0.14 -2.60 -0.02 0.00 -4.31 0.00 0.00 34.13 27.06 1lud s GLU 156 CO 0.03 -0.06 -0.07 0.08 0.01 0.00 0.00 175.26 175.25 1lud s VAL 157 N 0.98 3.43 0.29 2.63 1.01 -0.45 -1.66 120.40 126.63 1lud s VAL 157 Ca -0.02 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1lud s VAL 157 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1lud s VAL 157 CO -0.04 0.48 -0.02 0.26 0.00 0.00 0.00 175.10 175.78 1lud s TRP 158 N 0.79 2.59 0.01 5.22 0.52 0.18 -0.82 118.94 127.42 1lud s TRP 158 Ca -0.03 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.79 1lud s TRP 158 Cb -0.15 -1.28 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 1lud s TRP 158 CO 0.02 0.57 -0.04 -0.65 0.02 0.00 0.00 176.95 176.87 1lud s GLN 159 N -3.67 0.31 -0.07 4.98 -0.21 -0.84 -2.24 119.66 117.91 1lud s GLN 159 Ca 0.33 -0.32 -0.30 0.00 0.02 0.00 0.00 55.36 55.09 1lud s GLN 159 Cb -0.04 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.75 1lud s GLN 159 CO 0.19 0.04 1.31 0.21 -2.12 0.00 0.00 175.29 174.92 1lud s LYS 160 N -0.59 4.28 0.63 2.91 2.36 -0.50 -2.78 119.74 126.06 1lud s LYS 160 Ca -0.04 1.79 -0.06 0.00 -2.55 0.00 0.00 55.97 55.11 1lud s LYS 160 Cb -0.04 -3.66 0.03 0.00 -1.05 0.00 0.00 37.83 33.11 1lud s LYS 160 CO -0.00 -0.59 0.94 0.15 1.55 0.00 0.00 175.35 177.40 1lud s LYS 161 N 2.79 2.59 0.00 4.03 -0.14 -1.25 -5.00 119.74 122.75 1lud s LYS 161 Ca 0.59 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 55.03 1lud s LYS 161 Cb -0.26 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.64 1lud s LYS 161 CO 0.22 -0.93 0.38 0.00 -0.76 0.00 0.00 175.35 174.26