#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dks s GLN 5 N 0.00 1.88 0.05 1.97 0.74 -1.26 -5.00 119.66 118.04 1dks s GLN 5 Ca 0.00 -1.32 -0.21 0.00 0.05 0.00 0.00 55.36 53.87 1dks s GLN 5 Cb 0.00 0.55 -0.06 0.00 1.10 0.00 0.00 33.01 34.60 1dks s GLN 5 CO 0.00 -0.84 0.64 0.42 -0.55 0.00 0.00 175.29 174.96 1dks s ILE 6 N -3.31 4.76 -0.09 -2.34 1.01 -1.26 -4.30 121.20 115.66 1dks s ILE 6 Ca 0.19 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.22 1dks s ILE 6 Cb -0.03 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.47 1dks s ILE 6 CO 0.11 0.47 -0.17 -0.31 0.00 0.00 0.00 174.94 175.04 1dks s TYR 7 N -0.58 1.98 -0.12 3.97 1.51 -0.94 -4.96 117.35 118.22 1dks s TYR 7 Ca 0.32 -0.84 -0.06 0.00 -1.01 0.00 0.00 57.07 55.47 1dks s TYR 7 Cb -0.20 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1dks s TYR 7 CO 0.20 -0.40 0.12 0.71 -1.11 0.00 0.00 175.55 175.07 1dks s TYR 8 N 0.70 3.53 0.24 2.71 1.51 -1.26 0.01 117.35 124.79 1dks s TYR 8 Ca -0.13 0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 56.38 1dks s TYR 8 Cb -0.16 -1.92 0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1dks s TYR 8 CO 0.03 0.68 0.32 -1.13 -1.11 0.00 0.00 175.55 174.35 1dks n SER 9 N 2.05 0.18 -4.89 2.29 3.41 -0.99 -5.01 113.62 110.67 1dks n SER 9 Ca -0.20 -1.21 -0.29 0.00 -0.26 0.00 0.00 58.87 56.91 1dks n SER 9 Cb 0.55 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.23 5.86 0.22 4.04 1.11 -1.26 -4.82 116.67 119.58 1dks s ASP 10 Ca 0.19 1.04 -0.13 0.00 0.18 0.00 0.00 52.55 53.83 1dks s ASP 10 Cb -0.01 -2.07 -0.08 0.00 1.07 0.00 0.00 42.92 41.84 1dks s ASP 10 CO 0.13 -0.98 0.60 -0.54 1.18 0.00 0.00 175.17 175.57 1dks s LYS 11 N -5.07 3.94 -0.04 8.23 -0.14 -1.26 -4.59 119.74 120.81 1dks s LYS 11 Ca 0.54 0.48 -0.00 0.00 -1.36 0.00 0.00 55.97 55.62 1dks s LYS 11 Cb -0.11 -2.73 0.03 0.00 -1.68 0.00 0.00 37.83 33.34 1dks s LYS 11 CO 0.49 0.35 0.01 1.52 -0.76 0.00 0.00 175.35 176.97 1dks s TYR 12 N -1.69 0.30 0.32 3.18 -0.85 -0.38 -4.92 117.35 113.30 1dks s TYR 12 Ca 0.45 0.03 0.10 0.00 -0.52 0.00 0.00 57.07 57.13 1dks s TYR 12 Cb -0.13 -0.46 -0.06 0.00 0.38 0.00 0.00 41.96 41.69 1dks s TYR 12 CO 0.20 -0.17 -0.12 0.16 -1.52 0.00 0.00 175.55 174.10 1dks s ASP 13 N 1.36 3.76 0.00 -0.18 1.47 -1.26 0.11 116.67 121.94 1dks s ASP 13 Ca -0.05 -1.10 0.00 0.00 1.18 0.00 0.00 52.55 52.58 1dks s ASP 13 Cb -0.13 -0.37 0.00 0.00 -0.34 0.00 0.00 42.92 42.08 1dks s ASP 13 CO -0.03 -0.11 0.00 -0.90 0.68 0.00 0.00 175.17 174.81 1dks n ASP 14 N -0.75 1.30 0.19 2.11 5.75 -0.51 -4.94 116.55 119.69 1dks n ASP 14 Ca -0.05 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.84 1dks n ASP 14 Cb 0.62 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 41.30 1dks n ASP 14 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1dks h GLU 15 N 0.00 0.00 0.00 0.11 -0.00 -2.04 -3.31 114.58 109.34 1dks h GLU 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1dks h GLU 15 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1dks h GLU 15 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 179.01 178.16 1dks n GLU 16 N -2.32 0.00 -4.03 1.06 0.28 -1.26 -5.03 120.64 109.34 1dks n GLU 16 Ca -0.01 -0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.81 1dks n GLU 16 Cb 0.15 -0.13 -0.16 0.00 1.43 0.00 0.00 31.44 32.73 1dks n GLU 16 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1dks s PHE 17 N 0.00 0.45 -0.40 -1.84 0.08 -1.25 -2.69 117.98 112.33 1dks s PHE 17 Ca 0.00 -0.07 -0.21 0.00 0.12 0.00 0.00 56.93 56.76 1dks s PHE 17 Cb 0.00 -0.45 0.01 0.00 -0.57 0.00 0.00 43.02 42.02 1dks s PHE 17 CO 0.00 -0.12 0.69 -2.00 -0.10 0.00 0.00 175.22 173.69 1dks s GLU 18 N 0.76 3.51 0.35 0.44 2.12 0.31 -1.43 118.70 124.77 1dks s GLU 18 Ca -0.08 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.17 1dks s GLU 18 Cb -0.12 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 1dks s GLU 18 CO -0.01 -0.91 0.57 0.71 -0.54 0.00 0.00 175.26 175.08 1dks s TYR 19 N 2.92 3.50 -0.22 5.30 2.02 0.31 -3.20 117.35 127.99 1dks s TYR 19 Ca 0.26 0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 57.10 1dks s TYR 19 Cb -0.14 -1.96 0.16 0.00 -0.40 0.00 0.00 41.96 39.62 1dks s TYR 19 CO 0.18 0.09 1.18 0.50 -1.57 0.00 0.00 175.55 175.94 1dks s ARG 20 N -4.23 0.32 0.03 -0.62 6.06 -1.05 -1.26 118.95 118.20 1dks s ARG 20 Ca 0.41 0.05 0.02 0.00 -2.50 0.00 0.00 55.73 53.72 1dks s ARG 20 Cb -0.10 0.15 -0.02 0.00 0.06 0.00 0.00 34.95 35.05 1dks s ARG 20 CO 0.36 -0.11 -0.07 -3.38 -2.50 0.00 0.00 175.30 169.60 1dks s HIS 21 N -1.22 0.64 0.05 5.12 -3.43 -1.26 0.03 115.29 115.23 1dks s HIS 21 Ca 0.04 -0.37 0.01 0.00 -0.80 0.00 0.00 55.06 53.94 1dks s HIS 21 Cb -0.01 -0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 30.71 1dks s HIS 21 CO -0.04 -0.05 0.14 0.08 -2.00 0.00 0.00 174.74 172.87 1dks s VAL 22 N -0.98 5.00 -0.33 -5.38 1.01 0.13 -2.34 120.40 117.51 1dks s VAL 22 Ca -0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1dks s VAL 22 Cb -0.08 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 32.97 1dks s VAL 22 CO 0.00 0.19 0.07 -0.32 0.00 0.00 0.00 175.10 175.03 1dks s MET 23 N -2.29 2.41 0.12 2.72 0.00 0.10 -1.78 119.30 120.58 1dks s MET 23 Ca 0.30 -1.34 -0.15 0.00 0.00 0.00 0.00 55.69 54.50 1dks s MET 23 Cb -0.13 -3.33 -0.07 0.00 0.00 0.00 0.00 34.83 31.30 1dks s MET 23 CO 0.23 -0.71 0.54 -0.51 0.00 0.00 0.00 175.02 174.56 1dks s LEU 24 N 1.28 4.39 0.32 4.11 1.02 -0.21 -2.21 118.68 127.37 1dks s LEU 24 Ca -0.02 1.10 -0.29 0.00 0.02 0.00 0.00 54.13 54.95 1dks s LEU 24 Cb -0.20 -3.14 -0.10 0.00 0.02 0.00 0.00 46.19 42.77 1dks s LEU 24 CO -0.01 0.16 1.23 -2.16 0.02 0.00 0.00 176.35 175.59 1dks s PRO 25 N -1.72 4.44 0.64 1.29 0.04 -1.26 -4.75 135.00 133.67 1dks s PRO 25 Ca 0.35 2.06 0.22 0.00 0.04 0.00 0.00 61.00 63.67 1dks s PRO 25 Cb -0.16 -3.09 1.07 0.00 0.04 0.00 0.00 34.50 32.35 1dks s PRO 25 CO 0.19 -0.06 1.58 -0.22 0.04 0.00 0.00 177.00 178.53 1dks h LYS 26 N 3.49 0.00 -0.39 4.56 1.63 -1.96 0.22 116.57 124.12 1dks h LYS 26 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1dks h LYS 26 Cb 1.22 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 1dks h LYS 26 CO 0.66 0.00 0.26 0.22 -3.45 0.00 0.00 179.45 177.13 1dks h ASP 27 N 0.00 0.46 -0.02 4.20 3.58 -2.02 -2.93 116.42 119.69 1dks h ASP 27 Ca 0.14 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1dks h ASP 27 Cb 1.52 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.46 1dks h ASP 27 CO -0.00 0.34 -0.06 2.30 -2.88 0.00 0.00 179.24 178.94 1dks n ILE 28 N -4.81 0.00 0.15 2.25 -5.35 0.65 -4.26 119.36 108.00 1dks n ILE 28 Ca 0.00 -0.47 0.02 0.00 -0.27 0.00 0.00 62.75 62.03 1dks n ILE 28 Cb 0.03 1.40 0.34 0.00 -1.74 0.00 0.00 39.64 39.67 1dks n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dks h ALA 29 N 3.97 1.36 0.00 -1.28 0.00 -0.98 -2.94 119.26 119.38 1dks h ALA 29 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1dks h ALA 29 Cb 0.83 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1dks h ALA 29 CO 0.00 0.46 0.00 1.17 0.00 0.00 0.00 179.25 180.88 1dks n LYS 30 N -4.13 0.94 0.00 0.00 3.00 -1.23 -1.77 118.16 114.98 1dks n LYS 30 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1dks n LYS 30 Cb 0.39 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.39 1dks n LYS 30 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1dks n LEU 31 N 1.24 0.00 -4.61 3.14 4.77 -1.11 -5.03 117.00 115.41 1dks n LEU 31 Ca 0.00 -0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 1dks n LEU 31 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1dks n LEU 31 CO 0.00 0.00 1.17 -0.69 -1.33 0.00 0.00 177.39 176.54 1dks s VAL 32 N -0.16 4.02 0.31 4.08 1.01 -0.73 -4.97 120.40 123.96 1dks s VAL 32 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.75 1dks s VAL 32 Cb 0.00 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 1dks s VAL 32 CO 0.00 -0.74 1.34 -0.81 0.00 0.00 0.00 175.10 174.89 1dks n PRO 33 N 7.86 2.13 0.00 2.72 -0.04 -1.26 -4.90 135.00 141.52 1dks n PRO 33 Ca 0.15 0.75 0.12 0.00 -0.04 0.00 0.00 63.50 64.48 1dks n PRO 33 Cb 0.48 -2.37 0.20 0.00 -0.04 0.00 0.00 33.50 31.77 1dks n PRO 33 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1dks n LYS 34 N 1.09 1.00 -0.01 0.54 0.00 -1.26 -4.33 118.16 115.19 1dks n LYS 34 Ca 0.07 -0.72 0.10 0.00 -0.00 0.00 0.00 58.31 57.76 1dks n LYS 34 Cb 0.35 -1.49 -0.14 0.00 -0.00 0.00 0.00 35.03 33.75 1dks n LYS 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1dks n THR 35 N -0.38 0.00 -3.64 0.58 -2.24 -1.26 -5.00 114.28 102.35 1dks n THR 35 Ca 0.11 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 1dks n THR 35 Cb 0.40 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 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 -3.18 -0.47 0.72 4.78 -3.43 -1.26 -5.15 115.29 107.29 1dks s HIS 36 Ca -0.01 0.87 -0.15 0.00 -0.80 0.00 0.00 55.06 54.97 1dks s HIS 36 Cb 0.14 0.26 0.03 0.00 -1.43 0.00 0.00 32.58 31.58 1dks s HIS 36 CO 0.83 -0.48 1.20 -0.51 -2.00 0.00 0.00 174.74 173.78 1dks s LEU 37 N -1.00 3.34 0.26 5.38 1.43 -1.26 -4.74 118.68 122.09 1dks s LEU 37 Ca -0.10 2.31 -0.16 0.00 -1.03 0.00 0.00 54.13 55.15 1dks s LEU 37 Cb -0.03 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.53 1dks s LEU 37 CO 0.06 -2.16 0.70 -0.04 0.23 0.00 0.00 176.35 175.14 1dks s MET 38 N -3.91 4.06 0.43 1.70 -1.94 -1.26 -5.07 119.30 113.31 1dks s MET 38 Ca 0.74 0.68 -0.09 0.00 -1.71 0.00 0.00 55.69 55.31 1dks s MET 38 Cb -0.28 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.86 1dks s MET 38 CO 0.44 0.28 0.77 -1.54 -0.01 0.00 0.00 175.02 174.97 1dks s SER 39 N -2.03 6.43 0.34 3.03 1.04 -1.26 -4.55 113.70 116.71 1dks s SER 39 Ca 0.48 1.06 0.14 0.00 0.48 0.00 0.00 55.95 58.11 1dks s SER 39 Cb -0.13 -2.30 1.04 0.00 0.10 0.00 0.00 66.02 64.73 1dks s SER 39 CO 0.19 -0.46 1.70 -0.08 0.98 0.00 0.00 173.24 175.57 1dks h GLU 40 N 0.91 0.40 -0.04 4.02 4.81 -1.97 1.35 114.58 124.05 1dks h GLU 40 Ca -0.47 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 1dks h GLU 40 Cb 1.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1dks h GLU 40 CO 0.63 0.27 -0.62 0.77 -0.73 0.00 0.00 179.01 179.33 1dks h SER 41 N 0.41 0.19 0.50 1.04 0.02 -2.01 -3.11 113.55 110.59 1dks h SER 41 Ca 0.69 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.51 1dks h SER 41 Cb 1.54 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1dks h SER 41 CO -0.52 0.76 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.36 1dks h GLU 42 N 0.12 -0.64 0.00 3.45 5.08 0.14 -3.07 114.58 119.66 1dks h GLU 42 Ca -0.01 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1dks h GLU 42 Cb 1.11 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1dks h GLU 42 CO 0.09 -0.34 -0.17 0.11 -1.00 0.00 0.00 179.01 177.70 1dks h TRP 43 N -1.01 0.00 -0.74 4.33 5.08 -1.40 -1.88 115.95 120.33 1dks h TRP 43 Ca -0.07 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.85 1dks h TRP 43 Cb 0.60 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.73 1dks h TRP 43 CO 0.01 0.17 0.28 0.00 -1.28 0.00 0.00 178.44 177.62 1dks h ARG 44 N 0.00 1.12 0.00 0.12 3.08 -1.60 -0.18 114.38 116.91 1dks h ARG 44 Ca -0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1dks h ARG 44 Cb 0.32 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1dks h ARG 44 CO 0.02 0.93 0.00 -1.71 -1.07 0.00 0.00 179.97 178.14 1dks n ASN 45 N -4.31 0.26 0.08 7.04 4.05 -0.71 -1.89 115.26 119.77 1dks n ASN 45 Ca 0.06 0.60 -0.23 0.00 0.45 0.00 0.00 54.58 55.46 1dks n ASN 45 Cb 0.19 -0.64 -0.15 0.00 1.23 0.00 0.00 39.78 40.41 1dks n ASN 45 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1dks h LEU 46 N 0.00 0.63 0.00 1.20 3.38 -0.96 -3.48 115.31 116.07 1dks h LEU 46 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1dks h LEU 46 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1dks h LEU 46 CO 0.00 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.79 1dks n GLY 47 N 1.75 0.65 3.56 0.83 0.00 -0.79 -5.09 105.19 106.09 1dks n GLY 47 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 3.38 -0.13 1.61 1.01 -1.22 -4.97 120.40 120.07 1dks s VAL 48 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 1dks s VAL 48 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1dks s VAL 48 CO 0.00 -0.86 0.57 -1.10 0.00 0.00 0.00 175.10 173.71 1dks s GLN 49 N 7.15 4.33 0.12 2.72 -0.21 -1.26 -4.44 119.66 128.06 1dks s GLN 49 Ca 0.71 0.59 0.02 0.00 0.02 0.00 0.00 55.36 56.69 1dks s GLN 49 Cb -0.10 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.43 1dks s GLN 49 CO 0.09 0.03 0.13 1.04 -2.12 0.00 0.00 175.29 174.46 1dks n GLN 50 N 4.07 0.18 0.00 2.91 6.02 -1.26 -5.13 117.38 124.18 1dks n GLN 50 Ca -0.04 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.82 1dks n GLN 50 Cb 0.51 0.98 0.00 0.00 1.02 0.00 0.00 30.24 32.75 1dks n GLN 50 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1dks n SER 51 N -2.32 0.00 -4.22 1.08 3.41 -1.26 -5.09 113.62 105.22 1dks n SER 51 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.49 1dks n SER 51 Cb 0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1dks n SER 51 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1dks s GLN 52 N 0.00 0.98 0.00 4.33 0.74 -1.26 -4.71 119.66 119.75 1dks s GLN 52 Ca 0.00 -1.37 0.00 0.00 0.05 0.00 0.00 55.36 54.04 1dks s GLN 52 Cb 0.00 -0.55 0.00 0.00 1.10 0.00 0.00 33.01 33.56 1dks s GLN 52 CO 0.00 0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 1dks n GLY 53 N 0.00 2.13 3.62 2.59 0.00 -1.26 -4.99 105.19 107.28 1dks n GLY 53 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.32 2.99 0.01 1.61 0.52 -1.25 -4.02 118.94 116.48 1dks s TRP 54 Ca 0.00 0.95 0.07 0.00 0.02 0.00 0.00 56.10 57.14 1dks s TRP 54 Cb 0.00 -4.03 -0.02 0.00 -1.15 0.00 0.00 33.47 28.27 1dks s TRP 54 CO 0.00 -1.00 -0.21 0.54 0.02 0.00 0.00 176.95 176.29 1dks s VAL 55 N 4.01 1.70 -0.22 4.03 0.11 -0.26 -4.90 120.40 124.88 1dks s VAL 55 Ca 0.46 -1.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.16 1dks s VAL 55 Cb -0.10 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 33.27 1dks s VAL 55 CO 0.23 0.36 1.77 -2.28 -3.33 0.00 0.00 175.10 171.84 1dks s HIS 56 N -0.64 1.84 -0.96 1.54 2.46 -1.26 -1.60 115.29 116.66 1dks s HIS 56 Ca 0.08 0.46 0.14 0.00 0.47 0.00 0.00 55.06 56.21 1dks s HIS 56 Cb -0.09 -4.03 -0.09 0.00 -0.13 0.00 0.00 32.58 28.25 1dks s HIS 56 CO 0.00 -3.36 0.68 2.48 -2.47 0.00 0.00 174.74 172.08 1dks n TYR 57 N 9.14 0.00 -3.69 3.88 4.11 -1.15 -4.79 117.16 124.66 1dks n TYR 57 Ca 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.99 1dks n TYR 57 Cb 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.70 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 -2.08 0.55 0.22 -3.48 0.00 -1.26 -5.10 119.30 108.15 1dks s MET 58 Ca 0.08 0.79 -0.30 0.00 0.00 0.00 0.00 55.69 56.27 1dks s MET 58 Cb 0.11 0.18 -0.08 0.00 0.00 0.00 0.00 34.83 35.04 1dks s MET 58 CO 0.48 -0.10 1.01 0.42 0.00 0.00 0.00 175.02 176.83 1dks s ILE 59 N 0.75 3.96 -0.31 10.11 1.01 -1.26 -4.51 121.20 130.95 1dks s ILE 59 Ca -0.04 1.87 0.02 0.00 0.00 0.00 0.00 60.65 62.50 1dks s ILE 59 Cb -0.05 -4.19 0.09 0.00 0.01 0.00 0.00 42.46 38.32 1dks s ILE 59 CO -0.06 0.40 0.05 -2.28 0.00 0.00 0.00 174.94 173.06 1dks s HIS 60 N -0.85 2.76 0.06 3.97 2.46 -1.26 -4.99 115.29 117.44 1dks s HIS 60 Ca 0.44 -2.32 -0.15 0.00 0.47 0.00 0.00 55.06 53.50 1dks s HIS 60 Cb -0.28 -2.24 -0.23 0.00 -0.13 0.00 0.00 32.58 29.70 1dks s HIS 60 CO 0.34 -0.89 1.17 0.93 -2.47 0.00 0.00 174.74 173.82 1dks h GLU 61 N 7.85 0.64 0.32 2.88 4.39 -1.96 -3.35 114.58 125.36 1dks h GLU 61 Ca -0.10 -0.69 -0.02 0.00 0.34 0.00 0.00 59.36 58.90 1dks h GLU 61 Cb 1.03 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1dks h GLU 61 CO 0.48 1.28 -0.16 -1.00 -1.16 0.00 0.00 179.01 178.45 1dks h PRO 62 N 0.28 -0.43 -3.95 2.33 0.13 -2.02 -3.38 132.00 124.97 1dks h PRO 62 Ca -0.12 0.03 -0.75 0.00 -0.87 0.00 0.00 66.00 64.29 1dks h PRO 62 Cb 1.61 0.10 -0.28 0.00 0.13 0.00 0.00 31.00 32.56 1dks h PRO 62 CO 0.19 -0.28 -0.15 -1.21 -0.23 0.00 0.00 178.00 176.31 1dks s GLU 63 N -3.98 3.05 0.17 0.86 0.41 -1.26 -4.92 118.70 113.03 1dks s GLU 63 Ca -0.07 -2.16 0.20 0.00 -0.41 0.00 0.00 54.97 52.54 1dks s GLU 63 Cb 0.01 -4.18 0.85 0.00 -1.78 0.00 0.00 34.13 29.03 1dks s GLU 63 CO 0.20 -1.26 1.61 -0.35 -0.49 0.00 0.00 175.26 174.97 1dks n PRO 64 N 4.37 0.12 -0.09 0.39 -0.04 -1.26 -2.84 135.00 135.66 1dks n PRO 64 Ca 0.02 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 1dks n PRO 64 Cb 0.43 -1.74 0.33 0.00 -0.04 0.00 0.00 33.50 32.48 1dks n PRO 64 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1dks n HIS 65 N -1.97 0.23 -3.94 0.54 1.44 -1.26 -4.76 115.22 105.50 1dks n HIS 65 Ca 0.02 -0.12 -0.35 0.00 -2.01 0.00 0.00 57.72 55.27 1dks n HIS 65 Cb 0.20 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.17 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 -1.77 3.02 -0.39 0.61 1.01 -1.13 -1.04 121.20 121.50 1dks s ILE 66 Ca 0.28 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1dks s ILE 66 Cb 0.15 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 40.12 1dks s ILE 66 CO 0.22 0.22 0.28 -0.76 0.00 0.00 0.00 174.94 174.90 1dks s LEU 67 N 1.36 4.96 -0.12 2.97 1.43 -0.73 -4.80 118.68 123.75 1dks s LEU 67 Ca 0.01 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 1dks s LEU 67 Cb -0.16 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 1dks s LEU 67 CO -0.04 -0.41 1.02 -0.76 0.23 0.00 0.00 176.35 176.40 1dks s LEU 68 N 1.67 4.23 0.21 1.79 1.02 -1.26 -0.69 118.68 125.64 1dks s LEU 68 Ca 0.05 1.53 0.11 0.00 0.02 0.00 0.00 54.13 55.84 1dks s LEU 68 Cb -0.19 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.42 1dks s LEU 68 CO 0.10 -0.48 -0.20 -0.36 0.02 0.00 0.00 176.35 175.42 1dks s PHE 69 N 2.15 2.36 0.33 0.29 0.08 0.10 -2.93 117.98 120.37 1dks s PHE 69 Ca 0.48 -0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.27 1dks s PHE 69 Cb -0.18 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 1dks s PHE 69 CO 0.17 0.55 0.25 0.50 -0.10 0.00 0.00 175.22 176.58 1dks s ARG 70 N -2.88 1.74 0.00 0.44 3.52 -0.63 -2.54 118.95 118.60 1dks s ARG 70 Ca 0.23 -2.01 0.00 0.00 -0.13 0.00 0.00 55.73 53.82 1dks s ARG 70 Cb -0.07 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1dks s ARG 70 CO 0.12 -0.61 0.00 -2.13 -0.81 0.00 0.00 175.30 171.87 1dks n ARG 71 N -0.63 0.00 -2.10 5.12 0.63 -1.19 -1.10 116.66 117.38 1dks n ARG 71 Ca 0.05 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.64 1dks n ARG 71 Cb 0.63 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.56 1dks n ARG 71 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1dks s PRO 72 N -0.70 3.17 0.08 -0.14 0.02 -1.26 -0.53 135.00 135.65 1dks s PRO 72 Ca 0.00 1.57 -0.37 0.00 0.02 0.00 0.00 61.00 62.23 1dks s PRO 72 Cb 0.00 -1.98 -0.18 0.00 0.02 0.00 0.00 34.50 32.36 1dks s PRO 72 CO 0.00 -0.99 1.17 1.28 -0.33 0.00 0.00 177.00 178.13 1dks n LEU 73 N -1.62 0.89 0.00 -5.54 4.77 -1.10 -4.27 117.00 110.13 1dks n LEU 73 Ca 0.11 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 1dks n LEU 73 Cb 0.51 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1dks n LEU 73 CO 0.44 -1.50 0.00 -2.65 -1.33 0.00 0.00 177.39 172.34 1dks n PRO 74 N 1.93 0.00 -3.65 3.23 -0.02 -1.26 -1.13 135.00 134.10 1dks n PRO 74 Ca 0.18 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.42 1dks n PRO 74 Cb 0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.60 1dks n PRO 74 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1dks n LYS 75 N 0.00 -1.77 0.00 -0.52 3.00 -1.26 -5.25 118.16 112.37 1dks n LYS 75 Ca 0.00 0.09 0.16 0.00 -0.00 0.00 0.00 58.31 58.56 1dks n LYS 75 Cb 0.00 -4.64 0.92 0.00 0.00 0.00 0.00 35.03 31.31 1dks n LYS 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03