#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1luz n TYR 6 N -0.03 0.00 -2.72 0.00 9.36 -1.26 -5.10 117.16 117.42 1luz n TYR 6 Ca 0.05 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.88 1luz n TYR 6 Cb 0.57 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.22 1luz n TYR 6 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1luz s SER 7 N 0.00 7.48 0.01 2.98 1.04 -1.26 -5.07 113.70 118.88 1luz s SER 7 Ca 0.00 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1luz s SER 7 Cb 0.00 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 1luz s SER 7 CO 0.00 0.03 -0.03 -0.76 0.98 0.00 0.00 173.24 173.47 1luz s LEU 8 N -1.53 2.12 0.56 2.42 1.43 -1.26 -5.04 118.68 117.38 1luz s LEU 8 Ca 0.45 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1luz s LEU 8 Cb -0.24 -0.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 1luz s LEU 8 CO 0.30 -0.12 0.88 -2.16 0.23 0.00 0.00 176.35 175.48 1luz s PRO 9 N -0.73 3.18 0.02 1.29 0.04 -1.26 -5.08 135.00 132.46 1luz s PRO 9 Ca -0.07 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.12 1luz s PRO 9 Cb -0.05 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1luz s PRO 9 CO -0.00 -0.54 0.07 -0.80 0.04 0.00 0.00 177.00 175.77 1luz s ASN 10 N -4.23 5.60 0.20 6.66 0.01 -1.26 -4.96 114.94 116.95 1luz s ASN 10 Ca 0.52 0.09 -0.33 0.00 -0.71 0.00 0.00 52.86 52.44 1luz s ASN 10 Cb -0.10 -1.57 -0.14 0.00 0.41 0.00 0.00 41.25 39.84 1luz s ASN 10 CO 0.46 0.25 1.41 0.00 -1.51 0.00 0.00 177.10 177.71 1luz n ALA 11 N 1.00 0.76 0.00 0.60 0.00 -1.26 -0.69 120.51 120.92 1luz n ALA 11 Ca -0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1luz n ALA 11 Cb 0.52 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1luz n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1luz n GLY 12 N 2.49 3.01 3.77 0.00 0.00 0.13 -4.97 105.19 109.62 1luz n GLY 12 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1luz n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1luz s ASP 13 N -1.17 6.52 -0.30 1.61 1.11 0.14 -4.62 116.67 119.96 1luz s ASP 13 Ca 0.00 2.89 -0.09 0.00 0.18 0.00 0.00 52.55 55.53 1luz s ASP 13 Cb 0.00 -2.66 -0.00 0.00 1.07 0.00 0.00 42.92 41.33 1luz s ASP 13 CO 0.00 -0.73 0.13 -0.69 1.18 0.00 0.00 175.17 175.06 1luz s VAL 14 N -1.13 4.43 0.32 -1.27 1.01 -1.26 -0.63 120.40 121.87 1luz s VAL 14 Ca 0.51 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1luz s VAL 14 Cb -0.43 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1luz s VAL 14 CO 0.58 0.08 0.02 0.27 0.00 0.00 0.00 175.10 176.06 1luz s ILE 15 N 1.58 1.41 0.14 2.22 -4.36 0.19 -4.89 121.20 117.49 1luz s ILE 15 Ca 0.04 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 1luz s ILE 15 Cb -0.17 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 1luz s ILE 15 CO 0.05 -0.09 0.06 -0.54 0.24 0.00 0.00 174.94 174.66 1luz s LYS 16 N -3.82 2.70 0.02 0.37 1.02 -1.26 -0.38 119.74 118.39 1luz s LYS 16 Ca 0.34 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 55.16 1luz s LYS 16 Cb 0.07 -2.57 0.10 0.00 -0.52 0.00 0.00 37.83 34.92 1luz s LYS 16 CO 0.15 0.50 1.24 0.20 -0.92 0.00 0.00 175.35 176.52 1luz s GLY 17 N -2.77 -0.22 -0.17 -3.33 0.00 -0.82 -2.20 107.32 97.80 1luz s GLY 17 Ca 0.29 0.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.23 1luz s GLY 17 CO 0.21 2.66 -0.03 -1.60 0.00 0.00 0.00 173.10 174.34 1luz s ARG 18 N -2.27 3.61 0.31 2.90 3.52 -0.33 -1.04 118.95 125.65 1luz s ARG 18 Ca 0.21 -0.54 -0.27 0.00 -0.13 0.00 0.00 55.73 55.00 1luz s ARG 18 Cb 0.01 -2.95 -0.09 0.00 -1.56 0.00 0.00 34.95 30.36 1luz s ARG 18 CO -0.01 0.13 1.02 0.08 -0.81 0.00 0.00 175.30 175.71 1luz s VAL 19 N 0.65 3.84 0.11 7.11 1.01 -0.51 -0.49 120.40 132.12 1luz s VAL 19 Ca -0.02 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 63.52 1luz s VAL 19 Cb -0.14 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1luz s VAL 19 CO 0.02 0.24 0.22 -0.72 0.00 0.00 0.00 175.10 174.87 1luz s TYR 20 N -1.40 0.18 -0.04 5.22 -0.85 -0.31 -0.54 117.35 119.61 1luz s TYR 20 Ca 0.49 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.45 1luz s TYR 20 Cb -0.25 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.02 1luz s TYR 20 CO 0.32 -0.59 -0.01 -2.00 -1.52 0.00 0.00 175.55 171.75 1luz s GLU 21 N -3.88 2.85 -0.25 -3.49 2.12 -1.26 -0.17 118.70 114.61 1luz s GLU 21 Ca 0.07 -0.53 -0.26 0.00 0.36 0.00 0.00 54.97 54.62 1luz s GLU 21 Cb 0.04 -2.70 0.09 0.00 0.26 0.00 0.00 34.13 31.82 1luz s GLU 21 CO -0.09 0.66 0.82 0.21 -0.54 0.00 0.00 175.26 176.32 1luz s LYS 22 N -1.20 0.74 -1.47 4.30 2.20 -0.57 -4.96 119.74 118.79 1luz s LYS 22 Ca 0.16 0.79 -0.00 0.00 -0.36 0.00 0.00 55.97 56.56 1luz s LYS 22 Cb -0.11 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1luz s LYS 22 CO 0.06 -0.11 0.24 -0.25 -0.36 0.00 0.00 175.35 174.93 1luz n ASP 23 N 2.33 0.23 -0.21 1.43 8.00 -1.26 -1.55 116.55 125.52 1luz n ASP 23 Ca -0.14 -1.13 -0.03 0.00 0.71 0.00 0.00 54.79 54.21 1luz n ASP 23 Cb 0.56 -2.41 -0.01 0.00 -0.02 0.00 0.00 41.12 39.23 1luz n ASP 23 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1luz n TYR 24 N -4.48 0.00 -4.15 1.24 0.53 -1.26 -4.99 117.16 104.05 1luz n TYR 24 Ca -0.32 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.43 1luz n TYR 24 Cb 0.69 -1.22 -0.07 0.00 -1.03 0.00 0.00 39.34 37.71 1luz n TYR 24 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1luz s ALA 25 N -1.76 0.94 -0.15 -0.72 0.00 -0.60 -4.83 121.76 114.64 1luz s ALA 25 Ca 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 51.96 50.31 1luz s ALA 25 Cb 0.00 1.29 -0.04 0.00 0.00 0.00 0.00 23.12 24.37 1luz s ALA 25 CO 0.00 -0.70 0.10 -0.51 0.00 0.00 0.00 175.76 174.64 1luz s LEU 26 N -3.19 4.08 0.44 0.00 1.43 -1.26 -1.52 118.68 118.66 1luz s LEU 26 Ca 0.34 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 1luz s LEU 26 Cb 0.03 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1luz s LEU 26 CO 0.17 0.28 0.04 -0.31 0.23 0.00 0.00 176.35 176.75 1luz s TYR 27 N -0.25 2.02 -0.05 0.29 1.51 0.76 -0.91 117.35 120.72 1luz s TYR 27 Ca 0.09 -0.95 -0.03 0.00 -1.01 0.00 0.00 57.07 55.17 1luz s TYR 27 Cb -0.12 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1luz s TYR 27 CO 0.01 0.15 0.12 -1.50 -1.11 0.00 0.00 175.55 173.22 1luz s ILE 28 N -2.96 -0.03 -0.64 2.71 2.07 0.15 -1.16 121.20 121.35 1luz s ILE 28 Ca 0.21 0.09 -0.24 0.00 -1.41 0.00 0.00 60.65 59.30 1luz s ILE 28 Cb 0.05 -0.19 0.05 0.00 0.13 0.00 0.00 42.46 42.50 1luz s ILE 28 CO 0.11 0.04 1.01 -0.31 -1.91 0.00 0.00 174.94 173.87 1luz s TYR 29 N 0.62 2.65 -0.15 3.50 4.12 0.35 -4.17 117.35 124.27 1luz s TYR 29 Ca -0.05 -0.30 -0.29 0.00 0.02 0.00 0.00 57.07 56.45 1luz s TYR 29 Cb -0.06 -4.28 -0.01 0.00 -1.52 0.00 0.00 41.96 36.08 1luz s TYR 29 CO -0.03 -1.63 1.22 -0.51 0.02 0.00 0.00 175.55 174.62 1luz s LEU 30 N 4.30 4.19 0.35 -1.29 1.43 -1.26 -1.18 118.68 125.21 1luz s LEU 30 Ca 0.27 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 55.09 1luz s LEU 30 Cb -0.14 -3.54 0.71 0.00 0.03 0.00 0.00 46.19 43.24 1luz s LEU 30 CO 0.14 -0.71 1.93 -0.26 0.23 0.00 0.00 176.35 177.68 1luz h PHE 31 N 7.95 0.84 -0.02 0.29 0.05 -1.81 -2.07 116.94 122.16 1luz h PHE 31 Ca -0.27 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.54 1luz h PHE 31 Cb 1.11 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.79 1luz h PHE 31 CO 0.78 0.42 -0.25 -0.25 -0.18 0.00 0.00 178.31 178.83 1luz n ASP 32 N -4.49 2.13 -3.01 2.17 8.00 -1.26 -4.43 116.55 115.66 1luz n ASP 32 Ca 0.12 -1.57 -0.15 0.00 0.71 0.00 0.00 54.79 53.90 1luz n ASP 32 Cb 0.26 0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 1luz n ASP 32 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1luz n TYR 33 N 0.33 0.56 0.25 1.24 4.02 -0.93 -4.98 117.16 117.64 1luz n TYR 33 Ca 0.12 -3.47 0.18 0.00 -0.01 0.00 0.00 57.90 54.72 1luz n TYR 33 Cb 0.48 -0.41 0.89 0.00 -0.02 0.00 0.00 39.34 40.28 1luz n TYR 33 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1luz h PRO 34 N 3.00 0.00 -0.02 -0.72 0.11 -1.60 -2.71 132.00 130.05 1luz h PRO 34 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1luz h PRO 34 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1luz h PRO 34 CO 0.50 0.00 -0.08 0.72 -0.21 0.00 0.00 178.00 178.93 1luz n HIS 35 N -3.48 0.00 -3.74 0.65 8.25 -1.26 -4.89 115.22 110.74 1luz n HIS 35 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1luz n HIS 35 Cb 0.32 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.35 1luz n HIS 35 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1luz s PHE 36 N -2.13 3.59 -0.36 4.41 0.40 -1.02 -4.97 117.98 117.89 1luz s PHE 36 Ca 0.32 0.60 -0.22 0.00 -0.60 0.00 0.00 56.93 57.03 1luz s PHE 36 Cb 0.20 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.73 1luz s PHE 36 CO 0.38 0.61 0.70 -2.00 0.70 0.00 0.00 175.22 175.61 1luz s GLU 37 N -1.71 3.69 -0.21 0.44 2.12 -0.28 -4.84 118.70 117.92 1luz s GLU 37 Ca 0.27 0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.71 1luz s GLU 37 Cb -0.13 -3.82 -0.01 0.00 0.26 0.00 0.00 34.13 30.43 1luz s GLU 37 CO 0.16 -0.80 -0.04 0.00 -0.54 0.00 0.00 175.26 174.04 1luz s ALA 38 N 2.88 2.85 0.07 6.30 0.00 -1.26 -1.37 121.76 131.23 1luz s ALA 38 Ca 0.27 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1luz s ALA 38 Cb -0.14 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1luz s ALA 38 CO 0.16 -0.31 -0.07 -1.50 0.00 0.00 0.00 175.76 174.03 1luz s ILE 39 N 1.28 3.56 -0.79 0.00 2.07 -0.48 -0.67 121.20 126.17 1luz s ILE 39 Ca 0.03 -1.06 -0.22 0.00 -1.41 0.00 0.00 60.65 57.99 1luz s ILE 39 Cb -0.14 -2.63 0.08 0.00 0.13 0.00 0.00 42.46 39.89 1luz s ILE 39 CO -0.01 0.21 1.12 -0.76 -1.91 0.00 0.00 174.94 173.59 1luz s LEU 40 N -1.95 4.24 0.34 8.50 1.43 -0.09 -0.88 118.68 130.27 1luz s LEU 40 Ca 0.21 -1.24 0.12 0.00 -1.03 0.00 0.00 54.13 52.19 1luz s LEU 40 Cb -0.11 -2.46 0.95 0.00 0.03 0.00 0.00 46.19 44.60 1luz s LEU 40 CO 0.12 -1.42 1.73 0.00 0.23 0.00 0.00 176.35 177.01 1luz h ALA 41 N 9.49 1.90 0.00 4.21 0.00 -1.45 -0.39 119.26 133.01 1luz h ALA 41 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1luz h ALA 41 Cb 1.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1luz h ALA 41 CO 1.21 -0.37 0.00 0.93 0.00 0.00 0.00 179.25 181.02 1luz h GLU 42 N 0.52 0.00 0.00 0.00 5.08 -1.90 -3.09 114.58 115.19 1luz h GLU 42 Ca 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1luz h GLU 42 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1luz h GLU 42 CO -0.45 0.00 -0.50 0.66 -1.00 0.00 0.00 179.01 177.72 1luz h SER 43 N 0.00 0.00 0.19 1.42 4.64 -1.42 -3.39 113.55 115.00 1luz h SER 43 Ca 0.00 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1luz h SER 43 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1luz h SER 43 CO 0.00 0.03 -0.20 0.58 -0.87 0.00 0.00 176.83 176.37 1luz h VAL 44 N 0.00 0.56 -3.55 0.95 2.07 -1.61 -3.44 116.25 111.23 1luz h VAL 44 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1luz h VAL 44 Cb 0.88 0.56 -0.28 0.00 -1.52 0.00 0.00 31.29 30.93 1luz h VAL 44 CO 0.00 0.00 -0.67 -0.54 0.02 0.00 0.00 177.57 176.38 1luz s LYS 45 N -6.10 3.13 0.00 1.57 1.02 -1.26 -4.93 119.74 113.17 1luz s LYS 45 Ca -0.15 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1luz s LYS 45 Cb 0.07 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1luz s LYS 45 CO 0.65 -0.37 0.00 1.58 -0.92 0.00 0.00 175.35 176.29 1luz n HIS 47 N 4.81 0.00 0.00 3.18 -0.00 -1.26 -5.11 115.22 116.84 1luz n HIS 47 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 1luz n HIS 47 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 1luz n HIS 47 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1luz n ASP 49 N 0.00 0.00 0.08 0.26 5.75 -1.26 -1.09 116.55 120.29 1luz n ASP 49 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 1luz n ASP 49 Cb 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.17 1luz n ASP 49 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1luz h ARG 50 N 0.00 0.26 -0.41 0.11 3.08 -2.03 -2.87 114.38 112.52 1luz h ARG 50 Ca 0.00 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1luz h ARG 50 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1luz h ARG 50 CO 0.00 0.83 0.22 -0.92 -1.07 0.00 0.00 179.97 179.03 1luz h TYR 51 N 0.19 0.57 -0.50 3.04 3.20 -1.51 0.11 116.97 122.07 1luz h TYR 51 Ca -0.02 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.90 1luz h TYR 51 Cb 1.20 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 1luz h TYR 51 CO 0.03 0.45 0.21 0.28 -1.64 0.00 0.00 178.16 177.48 1luz h VAL 52 N 0.53 0.88 -0.61 1.81 2.07 -1.81 0.20 116.25 119.32 1luz h VAL 52 Ca 0.14 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1luz h VAL 52 Cb 0.07 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1luz h VAL 52 CO -0.02 0.07 0.23 -0.33 0.02 0.00 0.00 177.57 177.54 1luz h GLU 53 N 0.41 0.92 -0.32 1.57 5.08 -1.23 -1.43 114.58 119.58 1luz h GLU 53 Ca 0.23 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1luz h GLU 53 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1luz h GLU 53 CO -0.21 0.79 0.19 -0.92 -1.00 0.00 0.00 179.01 177.86 1luz h TYR 54 N 0.85 0.42 -0.28 4.33 3.20 0.04 -0.61 116.97 124.92 1luz h TYR 54 Ca 0.20 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1luz h TYR 54 Cb 0.23 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1luz h TYR 54 CO 0.01 0.32 0.17 -0.09 -1.64 0.00 0.00 178.16 176.93 1luz h ARG 55 N 0.41 0.38 -0.61 1.82 2.43 -0.46 -0.98 114.38 117.37 1luz h ARG 55 Ca 0.11 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1luz h ARG 55 Cb 0.02 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1luz h ARG 55 CO -0.02 0.28 0.32 -0.44 -1.51 0.00 0.00 179.97 178.60 1luz h ASP 56 N 0.36 0.76 -0.09 -3.80 3.32 -0.98 -0.51 116.42 115.48 1luz h ASP 56 Ca 0.10 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 1luz h ASP 56 Cb -0.00 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1luz h ASP 56 CO -0.02 0.63 -0.62 0.50 -1.72 0.00 0.00 179.24 178.01 1luz h LYS 57 N 0.86 0.70 0.00 3.56 3.64 -0.71 -3.39 116.57 121.22 1luz h LYS 57 Ca 0.22 -0.48 -0.37 0.00 -1.27 0.00 0.00 60.65 58.75 1luz h LYS 57 Cb 0.05 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 1luz h LYS 57 CO -0.03 1.10 -2.38 1.28 -2.27 0.00 0.00 179.45 177.15 1luz n LEU 58 N -3.96 0.84 -4.64 5.20 4.77 -0.41 -4.87 117.00 113.94 1luz n LEU 58 Ca -0.05 -0.04 -0.48 0.00 -0.03 0.00 0.00 56.01 55.42 1luz n LEU 58 Cb 0.65 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.80 1luz n LEU 58 CO 0.50 0.61 1.02 0.52 -1.33 0.00 0.00 177.39 178.71 1luz n VAL 59 N -2.88 0.31 -0.46 4.08 0.31 -0.23 -1.09 118.33 118.38 1luz n VAL 59 Ca -0.36 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1luz n VAL 59 Cb 1.10 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1luz n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1luz n GLY 60 N 2.74 1.97 3.88 2.92 0.00 0.30 -4.99 105.19 112.02 1luz n GLY 60 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1luz n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1luz s LYS 61 N -0.04 3.72 -0.18 1.61 -0.14 -0.25 -4.81 119.74 119.65 1luz s LYS 61 Ca 0.00 0.10 -0.19 0.00 -1.36 0.00 0.00 55.97 54.52 1luz s LYS 61 Cb 0.00 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1luz s LYS 61 CO 0.00 0.45 0.54 0.99 -0.76 0.00 0.00 175.35 176.57 1luz s THR 62 N -1.63 5.10 0.29 2.17 2.01 -1.01 -1.42 115.64 121.15 1luz s THR 62 Ca 0.41 1.01 0.03 0.00 0.31 0.00 0.00 61.69 63.45 1luz s THR 62 Cb -0.12 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1luz s THR 62 CO 0.22 0.19 0.18 0.68 -0.69 0.00 0.00 174.62 175.20 1luz s VAL 63 N 1.50 0.18 -0.11 3.82 -7.23 -0.21 -2.35 120.40 116.00 1luz s VAL 63 Ca 0.26 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1luz s VAL 63 Cb -0.16 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1luz s VAL 63 CO 0.10 0.00 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.32 1luz s LYS 64 N -3.81 3.19 0.10 4.82 1.02 0.09 -1.95 119.74 123.20 1luz s LYS 64 Ca 0.38 -0.49 0.04 0.00 0.02 0.00 0.00 55.97 55.92 1luz s LYS 64 Cb 0.05 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1luz s LYS 64 CO 0.19 0.51 -0.11 0.14 -0.92 0.00 0.00 175.35 175.15 1luz s VAL 65 N -0.37 1.05 -0.18 3.17 -7.23 0.49 -1.06 120.40 116.26 1luz s VAL 65 Ca 0.06 -1.63 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 1luz s VAL 65 Cb -0.12 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1luz s VAL 65 CO 0.02 -0.50 0.09 -0.75 -0.31 0.00 0.00 175.10 173.65 1luz s LYS 66 N -2.67 3.99 0.07 4.82 2.20 0.03 -0.64 119.74 127.55 1luz s LYS 66 Ca 0.06 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 1luz s LYS 66 Cb -0.04 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.96 1luz s LYS 66 CO 0.01 0.33 1.17 0.08 -0.36 0.00 0.00 175.35 176.58 1luz s VAL 67 N 0.24 4.06 -0.04 4.02 1.01 0.20 -1.27 120.40 128.62 1luz s VAL 67 Ca 0.06 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.60 1luz s VAL 67 Cb -0.12 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1luz s VAL 67 CO -0.00 0.14 0.03 2.30 0.00 0.00 0.00 175.10 177.57 1luz n ILE 68 N 3.69 0.28 -3.67 2.22 -5.35 -0.24 0.21 119.36 116.50 1luz n ILE 68 Ca 0.08 -0.19 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 1luz n ILE 68 Cb 0.47 -0.67 -0.08 0.00 -1.74 0.00 0.00 39.64 37.61 1luz n ILE 68 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1luz s ARG 69 N -2.16 0.72 -0.10 6.28 3.52 -1.09 -4.88 118.95 121.24 1luz s ARG 69 Ca -0.02 0.71 -0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1luz s ARG 69 Cb 0.02 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1luz s ARG 69 CO 0.20 -0.11 -0.07 0.08 -0.81 0.00 0.00 175.30 174.59 1luz s VAL 70 N 0.08 0.90 -0.64 7.11 1.01 -1.26 -0.96 120.40 126.65 1luz s VAL 70 Ca -0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1luz s VAL 70 Cb -0.04 -0.93 0.17 0.00 0.00 0.00 0.00 36.38 35.58 1luz s VAL 70 CO 0.02 0.34 0.48 -0.62 0.00 0.00 0.00 175.10 175.32 1luz s ASP 71 N 1.56 5.60 0.46 3.32 -1.08 0.11 -4.93 116.67 121.71 1luz s ASP 71 Ca 0.01 -2.68 0.27 0.00 -0.52 0.00 0.00 52.55 49.64 1luz s ASP 71 Cb -0.13 -1.94 0.74 0.00 -1.46 0.00 0.00 42.92 40.13 1luz s ASP 71 CO -0.06 -0.45 1.75 0.10 0.52 0.00 0.00 175.17 177.03 1luz h TYR 72 N 7.39 0.00 -0.08 -5.34 -0.00 -1.97 0.09 116.97 117.06 1luz h TYR 72 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.58 1luz h TYR 72 Cb 0.99 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.72 1luz h TYR 72 CO 0.76 0.00 -0.46 1.15 -0.00 0.00 0.00 178.16 179.61 1luz h THR 73 N 0.00 1.39 0.00 -0.90 2.02 -1.95 -3.33 112.91 110.14 1luz h THR 73 Ca 0.00 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1luz h THR 73 Cb 0.80 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1luz h THR 73 CO 0.00 0.54 -1.15 0.29 0.37 0.00 0.00 175.52 175.57 1luz n LYS 74 N -4.29 0.38 -1.64 6.66 4.76 -1.22 -5.01 118.16 117.80 1luz n LYS 74 Ca -0.08 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1luz n LYS 74 Cb 0.58 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1luz n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1luz n GLY 75 N 1.33 0.97 3.22 0.72 0.00 -0.09 -4.98 105.19 106.36 1luz n GLY 75 Ca 0.01 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1luz n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1luz s TYR 76 N -2.65 1.64 -0.02 1.61 1.51 -0.55 -1.12 117.35 117.76 1luz s TYR 76 Ca 0.00 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1luz s TYR 76 Cb 0.00 -0.98 0.01 0.00 -0.11 0.00 0.00 41.96 40.88 1luz s TYR 76 CO 0.00 0.08 -0.03 0.42 -1.11 0.00 0.00 175.55 174.90 1luz s ILE 77 N -0.81 0.35 -0.12 2.71 1.01 -0.47 0.09 121.20 123.96 1luz s ILE 77 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1luz s ILE 77 Cb -0.09 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1luz s ILE 77 CO 0.02 0.14 -0.02 -1.81 0.00 0.00 0.00 174.94 173.27 1luz s ASP 78 N 0.43 5.03 0.23 3.58 1.01 -0.13 -1.38 116.67 125.45 1luz s ASP 78 Ca -0.05 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.23 1luz s ASP 78 Cb -0.08 -1.61 -0.05 0.00 1.01 0.00 0.00 42.92 42.20 1luz s ASP 78 CO -0.00 0.27 0.11 0.68 0.21 0.00 0.00 175.17 176.44 1luz s VAL 79 N -0.25 0.34 -0.04 -1.27 -7.23 -0.06 -1.08 120.40 110.81 1luz s VAL 79 Ca 0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 1luz s VAL 79 Cb -0.12 -2.58 -0.00 0.00 0.56 0.00 0.00 36.38 34.24 1luz s VAL 79 CO 0.02 -0.01 -0.16 0.20 -0.31 0.00 0.00 175.10 174.84 1luz s ASN 80 N -3.25 2.06 0.29 4.85 0.01 -0.40 -1.20 114.94 117.30 1luz s ASN 80 Ca 0.38 -0.34 -0.30 0.00 -0.71 0.00 0.00 52.86 51.90 1luz s ASN 80 Cb 0.07 -0.59 -0.11 0.00 0.41 0.00 0.00 41.25 41.03 1luz s ASN 80 CO 0.13 0.14 1.52 -0.47 -1.51 0.00 0.00 177.10 176.91 1luz s TYR 81 N 0.09 2.83 -0.00 2.20 5.04 -1.26 -0.79 117.35 125.45 1luz s TYR 81 Ca -0.04 0.92 -0.04 0.00 -2.44 0.00 0.00 57.07 55.47 1luz s TYR 81 Cb -0.11 -3.97 -0.01 0.00 0.35 0.00 0.00 41.96 38.21 1luz s TYR 81 CO 0.02 -3.17 -0.07 1.17 -1.34 0.00 0.00 175.55 172.16 1luz n LYS 82 N 1.98 0.11 0.00 4.97 4.81 -0.23 -4.83 118.16 124.97 1luz n LYS 82 Ca 0.07 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1luz n LYS 82 Cb 0.39 -0.54 0.00 0.00 0.02 0.00 0.00 35.03 34.90 1luz n LYS 82 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1luz n ARG 83 N -3.21 0.00 -4.44 1.64 1.74 -1.06 -5.01 116.66 106.33 1luz n ARG 83 Ca -0.03 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 1luz n ARG 83 Cb 0.10 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.46 1luz n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1luz h ARG 86 N 1.96 0.00 0.00 0.00 3.08 -2.01 -3.11 114.38 114.30 1luz h ARG 86 Ca -0.35 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.53 1luz h ARG 86 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1luz h ARG 86 CO 0.55 0.49 -1.31 1.12 -1.07 0.00 0.00 179.97 179.75 1luz h HIS 87 N 0.00 0.00 0.00 3.04 2.07 -2.04 -3.53 115.15 114.68 1luz h HIS 87 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1luz h HIS 87 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 1luz h HIS 87 CO 0.00 0.62 0.00 1.04 -3.07 0.00 0.00 177.93 176.52