#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dks n HIS 3 N 0.00 0.00 -3.70 7.33 -0.00 -1.26 -4.72 115.22 112.87 1dks n HIS 3 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 1dks n HIS 3 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 1dks n HIS 3 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1dks s LYS 4 N -2.00 0.70 0.00 1.57 3.01 -1.26 -5.07 119.74 116.69 1dks s LYS 4 Ca 0.32 0.19 0.00 0.00 -1.01 0.00 0.00 55.97 55.46 1dks s LYS 4 Cb 0.14 0.32 0.00 0.00 -1.01 0.00 0.00 37.83 37.29 1dks s LYS 4 CO 0.24 -0.17 0.00 1.04 0.51 0.00 0.00 175.35 176.97 1dks n GLN 5 N 1.76 0.27 -2.72 1.68 1.13 -1.26 -5.08 117.38 113.16 1dks n GLN 5 Ca -0.18 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.48 1dks n GLN 5 Cb 0.56 -0.59 -0.05 0.00 0.11 0.00 0.00 30.24 30.27 1dks n GLN 5 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1dks s ILE 6 N -1.17 4.13 -0.02 5.09 1.01 -1.26 -4.45 121.20 124.53 1dks s ILE 6 Ca 0.00 2.03 0.02 0.00 0.00 0.00 0.00 60.65 62.70 1dks s ILE 6 Cb 0.00 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.18 1dks s ILE 6 CO 0.00 0.44 -0.06 -0.31 0.00 0.00 0.00 174.94 175.01 1dks s TYR 7 N -0.86 0.68 -0.07 3.97 2.02 -1.13 -4.97 117.35 117.01 1dks s TYR 7 Ca 0.43 -0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.96 1dks s TYR 7 Cb -0.26 -0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 1dks s TYR 7 CO 0.32 -0.08 -0.00 0.71 -1.57 0.00 0.00 175.55 174.93 1dks s TYR 8 N 0.26 3.14 0.70 2.71 1.51 -1.26 0.01 117.35 124.42 1dks s TYR 8 Ca -0.03 0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 1dks s TYR 8 Cb -0.08 -1.76 0.14 0.00 -0.11 0.00 0.00 41.96 40.15 1dks s TYR 8 CO -0.00 0.46 0.96 -1.13 -1.11 0.00 0.00 175.55 174.74 1dks n SER 9 N 1.99 1.42 -4.79 2.29 3.41 -1.19 -5.02 113.62 111.74 1dks n SER 9 Ca -0.18 -2.17 -0.34 0.00 -0.26 0.00 0.00 58.87 55.92 1dks n SER 9 Cb 0.53 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.88 1dks n SER 9 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1dks s ASP 10 N -4.96 5.72 -1.06 4.04 1.01 -1.26 -4.71 116.67 115.45 1dks s ASP 10 Ca 0.65 1.99 -0.19 0.00 0.71 0.00 0.00 52.55 55.72 1dks s ASP 10 Cb -0.04 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 1dks s ASP 10 CO 0.43 -1.21 2.06 0.29 0.21 0.00 0.00 175.17 176.94 1dks n LYS 11 N -1.68 2.07 -1.97 8.23 4.01 -1.26 -4.49 118.16 123.06 1dks n LYS 11 Ca 0.10 -2.15 -0.42 0.00 -0.51 0.00 0.00 58.31 55.32 1dks n LYS 11 Cb 0.52 -3.07 -0.03 0.00 -0.51 0.00 0.00 35.03 31.95 1dks n LYS 11 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 1dks s TYR 12 N 4.23 2.15 0.12 2.13 1.13 -1.22 -4.63 117.35 121.25 1dks s TYR 12 Ca 0.53 0.24 0.00 0.00 -1.41 0.00 0.00 57.07 56.43 1dks s TYR 12 Cb 0.14 -3.93 -0.00 0.00 -1.10 0.00 0.00 41.96 37.07 1dks s TYR 12 CO 0.03 -3.86 0.02 -0.40 -2.51 0.00 0.00 175.55 168.82 1dks n ASP 13 N 6.50 1.78 -3.75 -0.18 5.68 -1.26 -0.65 116.55 124.67 1dks n ASP 13 Ca 0.17 -1.57 -0.08 0.00 -0.50 0.00 0.00 54.79 52.80 1dks n ASP 13 Cb 0.42 0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.54 1dks n ASP 13 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1dks s ASP 14 N -1.69 -0.10 -1.37 -1.12 1.47 -0.38 -4.92 116.67 108.55 1dks s ASP 14 Ca 0.02 -0.84 -0.11 0.00 1.18 0.00 0.00 52.55 52.80 1dks s ASP 14 Cb 0.00 0.69 -0.06 0.00 -0.34 0.00 0.00 42.92 43.22 1dks s ASP 14 CO 0.02 -1.32 2.52 -1.84 0.68 0.00 0.00 175.17 175.23 1dks n GLU 15 N -0.45 2.98 0.02 2.11 -0.00 -1.26 -3.16 120.64 120.87 1dks n GLU 15 Ca -0.03 -2.11 0.00 0.00 -0.00 0.00 0.00 57.16 55.01 1dks n GLU 15 Cb 0.60 -2.86 0.00 0.00 -0.00 0.00 0.00 31.44 29.19 1dks n GLU 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1dks n GLU 16 N 4.62 0.00 -4.07 3.44 4.07 -1.26 -5.11 120.64 122.33 1dks n GLU 16 Ca 0.63 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.60 1dks n GLU 16 Cb 0.26 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.53 1dks n GLU 16 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1dks s PHE 17 N -2.00 0.70 -0.23 4.31 0.08 -1.19 -2.87 117.98 116.78 1dks s PHE 17 Ca 0.00 -0.50 -0.08 0.00 0.12 0.00 0.00 56.93 56.48 1dks s PHE 17 Cb 0.00 -0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 42.00 1dks s PHE 17 CO 0.00 -0.07 0.08 -2.00 -0.10 0.00 0.00 175.22 173.13 1dks s GLU 18 N -1.59 3.77 0.57 0.44 2.12 -0.09 -1.25 118.70 122.67 1dks s GLU 18 Ca -0.09 -0.43 0.08 0.00 0.36 0.00 0.00 54.97 54.89 1dks s GLU 18 Cb -0.10 -3.33 0.07 0.00 0.26 0.00 0.00 34.13 31.03 1dks s GLU 18 CO 0.01 -0.07 0.63 0.71 -0.54 0.00 0.00 175.26 176.00 1dks s TYR 19 N 1.30 1.38 0.00 5.30 2.02 0.17 -0.66 117.35 126.87 1dks s TYR 19 Ca 0.05 -0.81 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 1dks s TYR 19 Cb -0.15 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1dks s TYR 19 CO 0.04 -0.90 0.00 -2.13 -1.57 0.00 0.00 175.55 170.99 1dks n ARG 20 N -2.06 0.00 -3.56 -0.62 0.63 -1.22 -3.39 116.66 106.44 1dks n ARG 20 Ca 0.08 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.99 1dks n ARG 20 Cb 0.63 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.49 1dks n ARG 20 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1dks s HIS 21 N -2.00 -1.26 0.47 -0.14 -3.43 -1.26 -2.68 115.29 104.98 1dks s HIS 21 Ca 0.00 2.03 -0.21 0.00 -0.80 0.00 0.00 55.06 56.09 1dks s HIS 21 Cb 0.00 0.65 -0.09 0.00 -1.43 0.00 0.00 32.58 31.71 1dks s HIS 21 CO 0.00 -0.67 1.03 0.08 -2.00 0.00 0.00 174.74 173.18 1dks s VAL 22 N 2.83 3.86 -0.36 -5.38 1.01 -0.57 -3.17 120.40 118.62 1dks s VAL 22 Ca -0.00 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1dks s VAL 22 Cb -0.13 -3.48 0.11 0.00 0.00 0.00 0.00 36.38 32.88 1dks s VAL 22 CO -0.18 -0.24 0.11 -0.32 0.00 0.00 0.00 175.10 174.47 1dks s MET 23 N -3.18 1.28 0.54 2.72 1.75 0.10 -0.97 119.30 121.54 1dks s MET 23 Ca 0.66 -1.73 -0.18 0.00 -1.25 0.00 0.00 55.69 53.19 1dks s MET 23 Cb -0.16 -2.76 -0.06 0.00 2.84 0.00 0.00 34.83 34.69 1dks s MET 23 CO 0.19 -1.00 1.04 -0.51 -0.65 0.00 0.00 175.02 174.10 1dks s LEU 24 N 0.93 3.65 0.29 4.11 2.01 -0.29 -2.82 118.68 126.56 1dks s LEU 24 Ca 0.12 1.85 -0.29 0.00 0.01 0.00 0.00 54.13 55.81 1dks s LEU 24 Cb -0.20 -4.54 -0.10 0.00 0.01 0.00 0.00 46.19 41.36 1dks s LEU 24 CO -0.12 -0.96 1.18 -2.16 1.01 0.00 0.00 176.35 175.30 1dks s PRO 25 N -3.72 4.53 0.41 1.29 0.04 -1.26 -4.78 135.00 131.51 1dks s PRO 25 Ca 0.65 1.95 0.17 0.00 0.04 0.00 0.00 61.00 63.80 1dks s PRO 25 Cb -0.16 -3.16 0.92 0.00 0.04 0.00 0.00 34.50 32.15 1dks s PRO 25 CO 0.29 0.05 1.45 0.87 0.04 0.00 0.00 177.00 179.70 1dks h LYS 26 N 3.85 0.00 -0.87 4.56 1.57 -1.94 -0.74 116.57 122.99 1dks h LYS 26 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1dks h LYS 26 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1dks h LYS 26 CO 0.67 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.30 1dks n ASP 27 N -2.26 0.87 0.00 0.86 8.00 -1.26 -3.20 116.55 119.57 1dks n ASP 27 Ca -0.01 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1dks n ASP 27 Cb 0.34 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1dks n ASP 27 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1dks n ILE 28 N -0.04 0.00 -0.34 0.53 2.08 -0.29 -4.90 119.36 116.41 1dks n ILE 28 Ca 0.00 0.00 0.25 0.00 0.56 0.00 0.00 62.75 63.56 1dks n ILE 28 Cb 0.22 0.78 0.50 0.00 -0.75 0.00 0.00 39.64 40.39 1dks n ILE 28 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1dks h ALA 29 N 0.00 2.02 0.00 -1.39 0.00 -1.63 0.12 119.26 118.38 1dks h ALA 29 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1dks h ALA 29 Cb 0.05 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dks h ALA 29 CO 0.00 -0.65 -0.15 1.57 0.00 0.00 0.00 179.25 180.02 1dks h LYS 30 N 0.28 0.00 0.00 0.00 2.10 -1.91 -1.98 116.57 115.07 1dks h LYS 30 Ca 0.75 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.40 1dks h LYS 30 Cb 1.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 1dks h LYS 30 CO -0.61 0.15 0.00 1.28 -2.00 0.00 0.00 179.45 178.27 1dks n LEU 31 N -3.73 0.00 -4.59 7.07 4.77 0.41 -4.69 117.00 116.24 1dks n LEU 31 Ca -0.02 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.80 1dks n LEU 31 Cb 0.26 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1dks n LEU 31 CO 0.31 -0.02 0.64 -0.69 -1.33 0.00 0.00 177.39 176.30 1dks s VAL 32 N -2.52 4.67 -0.49 4.08 1.01 -0.75 -4.97 120.40 121.44 1dks s VAL 32 Ca 0.28 0.94 -0.46 0.00 0.00 0.00 0.00 61.98 62.74 1dks s VAL 32 Cb 0.19 -4.27 -0.20 0.00 0.00 0.00 0.00 36.38 32.11 1dks s VAL 32 CO 0.42 -0.50 1.66 -2.65 0.00 0.00 0.00 175.10 174.03 1dks n PRO 33 N 6.58 0.05 0.06 2.72 -0.02 -1.26 -4.88 135.00 138.25 1dks n PRO 33 Ca 0.04 0.02 -0.18 0.00 -2.02 0.00 0.00 63.50 61.36 1dks n PRO 33 Cb 0.48 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 32.35 1dks n PRO 33 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1dks h LYS 34 N 5.53 0.58 0.00 -0.52 1.63 -1.93 -3.38 116.57 118.48 1dks h LYS 34 Ca -0.41 -0.65 0.00 0.00 -0.85 0.00 0.00 60.65 58.74 1dks h LYS 34 Cb 1.37 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 1dks h LYS 34 CO 0.99 1.26 -1.14 0.25 -3.45 0.00 0.00 179.45 177.36 1dks n THR 35 N -3.80 0.13 -4.05 1.00 -2.24 -1.26 -5.00 114.28 99.06 1dks n THR 35 Ca -0.10 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.37 1dks n THR 35 Cb 0.88 0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 1dks n THR 35 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1dks s HIS 36 N -3.21 0.47 0.48 4.78 -3.43 -1.26 -5.15 115.29 107.97 1dks s HIS 36 Ca 0.03 -0.98 -0.20 0.00 -0.80 0.00 0.00 55.06 53.11 1dks s HIS 36 Cb 0.15 -0.33 -0.09 0.00 -1.43 0.00 0.00 32.58 30.88 1dks s HIS 36 CO 0.82 -0.43 1.02 -0.51 -2.00 0.00 0.00 174.74 173.64 1dks s LEU 37 N -2.92 3.85 0.60 5.38 1.43 -1.26 -4.76 118.68 121.01 1dks s LEU 37 Ca 0.08 1.87 -0.08 0.00 -1.03 0.00 0.00 54.13 54.97 1dks s LEU 37 Cb 0.07 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.74 1dks s LEU 37 CO -0.09 -0.70 0.95 -0.04 0.23 0.00 0.00 176.35 176.70 1dks s MET 38 N -3.26 3.08 0.29 1.70 -1.94 -1.26 -5.10 119.30 112.81 1dks s MET 38 Ca 0.66 0.22 0.08 0.00 -1.71 0.00 0.00 55.69 54.94 1dks s MET 38 Cb -0.15 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 1dks s MET 38 CO 0.19 -0.69 0.15 -1.54 -0.01 0.00 0.00 175.02 173.12 1dks s SER 39 N -4.27 5.04 0.24 3.03 1.04 -1.26 -4.59 113.70 112.93 1dks s SER 39 Ca 0.54 -0.51 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 1dks s SER 39 Cb -0.11 -1.03 0.32 0.00 0.10 0.00 0.00 66.02 65.30 1dks s SER 39 CO 0.48 -0.14 1.58 -0.08 0.98 0.00 0.00 173.24 176.06 1dks h GLU 40 N 1.57 -0.02 -0.53 4.02 4.81 -1.96 0.35 114.58 122.81 1dks h GLU 40 Ca -0.46 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.85 1dks h GLU 40 Cb 1.25 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 1dks h GLU 40 CO 0.61 -0.01 0.19 1.03 -0.73 0.00 0.00 179.01 180.09 1dks h SER 41 N -0.02 0.18 -0.30 1.04 0.87 -1.99 -1.19 113.55 112.15 1dks h SER 41 Ca 0.38 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 61.03 1dks h SER 41 Cb 0.61 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1dks h SER 41 CO -0.87 0.13 0.12 -0.33 -0.53 0.00 0.00 176.83 175.34 1dks h GLU 42 N 0.36 0.26 0.00 2.24 5.08 -0.69 -1.49 114.58 120.34 1dks h GLU 42 Ca 0.26 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1dks h GLU 42 Cb 0.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1dks h GLU 42 CO -0.27 0.17 -0.59 0.11 -1.00 0.00 0.00 179.01 177.44 1dks h TRP 43 N 0.27 0.00 -0.07 4.33 5.08 -1.21 -2.98 115.95 121.37 1dks h TRP 43 Ca 0.13 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.03 1dks h TRP 43 Cb 0.07 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.22 1dks h TRP 43 CO -0.12 0.59 -0.29 0.00 -1.28 0.00 0.00 178.44 177.34 1dks h ARG 44 N 0.00 0.12 -0.28 0.12 3.08 -0.97 -1.81 114.38 114.65 1dks h ARG 44 Ca -0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1dks h ARG 44 Cb 1.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 1dks h ARG 44 CO 0.08 0.41 0.09 -0.97 -1.07 0.00 0.00 179.97 178.50 1dks h ASN 45 N 0.11 0.35 0.84 7.04 -1.24 -1.11 0.12 115.58 121.68 1dks h ASN 45 Ca 0.02 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1dks h ASN 45 Cb 0.57 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 1dks h ASN 45 CO 0.04 0.34 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.42 1dks h LEU 46 N 0.39 0.00 0.00 0.34 3.38 -1.36 -3.46 115.31 114.60 1dks h LEU 46 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dks h LEU 46 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1dks h LEU 46 CO -0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1dks n GLY 47 N -0.14 1.05 3.65 0.83 0.00 0.41 -5.06 105.19 105.93 1dks n GLY 47 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1dks n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dks s VAL 48 N -2.00 4.18 -0.23 1.61 1.01 -1.14 -4.99 120.40 118.84 1dks s VAL 48 Ca 0.00 1.41 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 1dks s VAL 48 Cb 0.00 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1dks s VAL 48 CO 0.00 -0.21 -0.01 -1.10 0.00 0.00 0.00 175.10 173.78 1dks s GLN 49 N 3.73 3.42 0.22 2.72 -0.21 -1.26 -4.37 119.66 123.91 1dks s GLN 49 Ca 0.57 -0.61 -0.23 0.00 0.02 0.00 0.00 55.36 55.12 1dks s GLN 49 Cb -0.22 -3.11 0.04 0.00 1.00 0.00 0.00 33.01 30.73 1dks s GLN 49 CO 0.18 -0.21 0.80 1.14 -2.12 0.00 0.00 175.29 175.08 1dks s GLN 50 N 1.51 1.52 0.18 2.91 -2.07 -1.26 -5.14 119.66 117.32 1dks s GLN 50 Ca 0.06 -0.82 -0.33 0.00 -1.82 0.00 0.00 55.36 52.44 1dks s GLN 50 Cb -0.15 0.53 -0.14 0.00 -1.09 0.00 0.00 33.01 32.16 1dks s GLN 50 CO -0.01 -0.70 1.45 -1.13 -1.32 0.00 0.00 175.29 173.58 1dks n SER 51 N -0.45 2.63 -0.47 12.60 3.41 -1.26 -4.85 113.62 125.22 1dks n SER 51 Ca -0.06 1.11 0.39 0.00 -0.26 0.00 0.00 58.87 60.06 1dks n SER 51 Cb 0.60 -1.38 0.69 0.00 -0.26 0.00 0.00 64.21 63.86 1dks n SER 51 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1dks h GLN 52 N 4.91 0.08 0.00 4.33 4.15 -2.02 -2.09 115.11 124.47 1dks h GLN 52 Ca -0.45 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1dks h GLN 52 Cb 1.28 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1dks h GLN 52 CO 0.81 0.06 0.00 0.41 -1.93 0.00 0.00 178.83 178.18 1dks n GLY 53 N -1.64 -0.77 3.77 2.39 0.00 -1.26 -4.82 105.19 102.85 1dks n GLY 53 Ca 0.36 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 1dks n GLY 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dks s TRP 54 N -2.70 2.85 -0.06 1.61 0.52 -0.79 -4.64 118.94 115.72 1dks s TRP 54 Ca 0.10 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.71 1dks s TRP 54 Cb 0.08 -3.52 0.02 0.00 -1.15 0.00 0.00 33.47 28.90 1dks s TRP 54 CO 0.20 -1.79 -0.03 0.08 0.02 0.00 0.00 176.95 175.43 1dks s VAL 55 N -1.39 0.52 -0.77 4.03 1.01 0.44 -4.92 120.40 119.33 1dks s VAL 55 Ca 0.60 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.26 1dks s VAL 55 Cb -0.34 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1dks s VAL 55 CO 0.42 0.24 1.76 -2.28 0.00 0.00 0.00 175.10 175.25 1dks s HIS 56 N 1.26 1.89 -0.88 5.22 2.46 -1.26 -2.03 115.29 121.95 1dks s HIS 56 Ca -0.06 0.45 0.23 0.00 0.47 0.00 0.00 55.06 56.15 1dks s HIS 56 Cb -0.14 -4.21 0.13 0.00 -0.13 0.00 0.00 32.58 28.23 1dks s HIS 56 CO -0.02 -2.06 1.13 2.48 -2.47 0.00 0.00 174.74 173.80 1dks n TYR 57 N 12.27 0.08 -3.57 3.88 4.11 -1.18 -4.64 117.16 128.11 1dks n TYR 57 Ca 0.26 0.02 -0.14 0.00 -0.00 0.00 0.00 57.90 58.04 1dks n TYR 57 Cb 0.50 -0.23 -0.06 0.00 -0.00 0.00 0.00 39.34 39.55 1dks n TYR 57 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.86 178.27 1dks s MET 58 N -3.06 0.84 -0.20 -3.48 0.00 -1.24 -5.12 119.30 107.04 1dks s MET 58 Ca 0.08 0.44 -0.17 0.00 0.00 0.00 0.00 55.69 56.04 1dks s MET 58 Cb 0.16 0.40 -0.04 0.00 0.00 0.00 0.00 34.83 35.35 1dks s MET 58 CO 0.79 -0.21 0.45 0.42 0.00 0.00 0.00 175.02 176.46 1dks s ILE 59 N -0.65 5.16 -1.02 10.11 1.01 -1.26 -3.79 121.20 130.76 1dks s ILE 59 Ca -0.05 0.82 -0.22 0.00 0.00 0.00 0.00 60.65 61.19 1dks s ILE 59 Cb -0.02 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 38.74 1dks s ILE 59 CO 0.04 0.23 1.42 -2.28 0.00 0.00 0.00 174.94 174.35 1dks s HIS 60 N 1.40 2.61 0.05 3.97 5.65 -1.26 -4.92 115.29 122.79 1dks s HIS 60 Ca 0.21 -0.94 -0.09 0.00 0.25 0.00 0.00 55.06 54.49 1dks s HIS 60 Cb -0.15 -4.65 -0.02 0.00 -1.18 0.00 0.00 32.58 26.57 1dks s HIS 60 CO 0.09 -1.88 1.16 0.93 -0.65 0.00 0.00 174.74 174.39 1dks h GLU 61 N 9.59 -0.01 -0.49 2.88 4.39 -1.95 -2.27 114.58 126.72 1dks h GLU 61 Ca 0.21 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.97 1dks h GLU 61 Cb 1.01 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.56 1dks h GLU 61 CO 1.39 -0.00 -0.51 -1.35 -1.16 0.00 0.00 179.01 177.38 1dks h PRO 62 N -0.01 -0.30 -2.95 2.33 0.11 -2.01 -3.29 132.00 125.87 1dks h PRO 62 Ca 0.05 0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.56 1dks h PRO 62 Cb 0.13 0.07 -0.41 0.00 0.11 0.00 0.00 31.00 30.90 1dks h PRO 62 CO -0.28 -0.20 -0.69 -1.83 -0.21 0.00 0.00 178.00 174.78 1dks s GLU 63 N -5.72 1.85 0.58 1.05 -1.05 -1.18 -4.99 118.70 109.23 1dks s GLU 63 Ca -0.14 -2.74 0.31 0.00 -0.15 0.00 0.00 54.97 52.25 1dks s GLU 63 Cb 0.10 -2.78 1.39 0.00 -0.44 0.00 0.00 34.13 32.41 1dks s GLU 63 CO 0.63 -1.26 1.74 -1.35 0.95 0.00 0.00 175.26 175.97 1dks h PRO 64 N 5.84 0.00 0.00 -4.83 0.11 -1.49 -2.56 132.00 129.07 1dks h PRO 64 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1dks h PRO 64 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1dks h PRO 64 CO 0.60 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.00 1dks n HIS 65 N -3.76 0.00 -3.81 0.65 1.44 -1.26 -4.51 115.22 103.96 1dks n HIS 65 Ca 0.18 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.52 1dks n HIS 65 Cb 1.06 -0.05 -0.13 0.00 0.12 0.00 0.00 29.99 30.99 1dks n HIS 65 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1dks s ILE 66 N -2.10 3.81 -0.01 0.61 1.01 -0.97 -1.14 121.20 122.41 1dks s ILE 66 Ca 0.14 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 1dks s ILE 66 Cb 0.07 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1dks s ILE 66 CO 0.12 0.25 0.65 -0.76 0.00 0.00 0.00 174.94 175.21 1dks s LEU 67 N 1.51 4.39 -0.43 2.97 1.43 -0.15 -4.17 118.68 124.24 1dks s LEU 67 Ca 0.04 1.21 -0.09 0.00 -1.03 0.00 0.00 54.13 54.26 1dks s LEU 67 Cb -0.16 -3.02 0.08 0.00 0.03 0.00 0.00 46.19 43.13 1dks s LEU 67 CO 0.01 0.02 0.28 -0.76 0.23 0.00 0.00 176.35 176.13 1dks s LEU 68 N 0.13 5.25 0.38 1.79 1.02 -1.25 -1.51 118.68 124.49 1dks s LEU 68 Ca 0.34 -1.56 0.07 0.00 0.02 0.00 0.00 54.13 53.00 1dks s LEU 68 Cb -0.18 -2.00 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 1dks s LEU 68 CO 0.18 -0.56 0.45 -0.36 0.02 0.00 0.00 176.35 176.08 1dks s PHE 69 N 1.42 2.88 -0.02 0.29 0.40 -1.09 -3.08 117.98 118.78 1dks s PHE 69 Ca 0.03 -0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 55.72 1dks s PHE 69 Cb -0.24 -2.13 0.10 0.00 0.51 0.00 0.00 43.02 41.26 1dks s PHE 69 CO 0.02 -0.14 0.83 -0.98 0.70 0.00 0.00 175.22 175.65 1dks s ARG 70 N -4.19 0.88 0.06 0.44 1.70 -0.86 -3.39 118.95 113.59 1dks s ARG 70 Ca 0.48 -0.15 -0.05 0.00 -0.47 0.00 0.00 55.73 55.54 1dks s ARG 70 Cb -0.07 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1dks s ARG 70 CO 0.30 -0.35 0.08 -0.98 -1.08 0.00 0.00 175.30 173.27 1dks s ARG 71 N -2.52 0.69 0.36 3.89 1.70 0.17 -0.42 118.95 122.82 1dks s ARG 71 Ca 0.01 -1.00 -0.25 0.00 -0.47 0.00 0.00 55.73 54.01 1dks s ARG 71 Cb -0.01 0.26 -0.10 0.00 -0.57 0.00 0.00 34.95 34.54 1dks s ARG 71 CO -0.05 -0.18 0.99 -1.25 -1.08 0.00 0.00 175.30 173.74 1dks s PRO 72 N -3.56 4.39 -0.21 3.89 0.04 -1.26 -0.92 135.00 137.37 1dks s PRO 72 Ca 0.03 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 1dks s PRO 72 Cb 0.04 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1dks s PRO 72 CO -0.09 0.08 0.07 -1.17 0.04 0.00 0.00 177.00 175.93 1dks s LEU 73 N -2.37 3.66 0.00 -3.56 2.96 -1.14 -4.75 118.68 113.49 1dks s LEU 73 Ca 0.54 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 54.31 1dks s LEU 73 Cb -0.20 -1.95 0.14 0.00 0.50 0.00 0.00 46.19 44.68 1dks s LEU 73 CO 0.25 0.07 0.32 -0.81 -1.32 0.00 0.00 176.35 174.87 1dks n PRO 74 N 4.20 -3.04 -1.76 0.98 -0.04 -1.26 -4.79 135.00 129.29 1dks n PRO 74 Ca -0.16 -0.54 -0.01 0.00 -0.04 0.00 0.00 63.50 62.75 1dks n PRO 74 Cb 0.52 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1dks n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1dks n LYS 75 N -3.39 -0.36 0.00 0.54 5.02 -1.26 -4.92 118.16 113.78 1dks n LYS 75 Ca 0.05 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1dks n LYS 75 Cb 0.22 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1dks n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1dks n LYS 76 N -0.71 0.00 0.00 1.97 5.02 -1.26 -5.07 118.16 118.11 1dks n LYS 76 Ca 0.01 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 1dks n LYS 76 Cb 0.24 0.00 0.54 0.00 -0.02 0.00 0.00 35.03 35.79 1dks n LYS 76 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58