#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkt s ILE 6 N 0.00 4.97 -0.05 5.09 1.01 -1.26 -4.30 121.20 126.66 1dkt s ILE 6 Ca 0.00 1.43 0.04 0.00 0.00 0.00 0.00 60.65 62.12 1dkt s ILE 6 Cb 0.00 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 1dkt s ILE 6 CO 0.00 0.30 -0.18 -0.31 0.00 0.00 0.00 174.94 174.75 1dkt s TYR 7 N 0.46 1.84 -0.10 3.97 2.02 -0.84 -4.99 117.35 119.72 1dkt s TYR 7 Ca 0.36 -0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1dkt s TYR 7 Cb -0.18 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.10 1dkt s TYR 7 CO 0.19 -0.19 0.03 0.71 -1.57 0.00 0.00 175.55 174.72 1dkt s TYR 8 N 0.04 3.26 0.65 2.71 1.51 -1.26 0.09 117.35 124.35 1dkt s TYR 8 Ca -0.05 0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 56.25 1dkt s TYR 8 Cb -0.12 -1.83 0.13 0.00 -0.11 0.00 0.00 41.96 40.03 1dkt s TYR 8 CO 0.03 0.52 0.89 -1.13 -1.11 0.00 0.00 175.55 174.75 1dkt n SER 9 N 2.14 0.92 -4.82 2.29 3.41 -0.75 -4.99 113.62 111.82 1dkt n SER 9 Ca -0.19 -1.84 -0.31 0.00 -0.26 0.00 0.00 58.87 56.27 1dkt n SER 9 Cb 0.54 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1dkt n SER 9 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1dkt s ASP 10 N -4.53 5.33 0.47 4.04 1.01 -1.26 -4.80 116.67 116.93 1dkt s ASP 10 Ca 0.57 1.59 -0.05 0.00 0.71 0.00 0.00 52.55 55.37 1dkt s ASP 10 Cb -0.03 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1dkt s ASP 10 CO 0.38 -1.47 0.77 -0.54 0.21 0.00 0.00 175.17 174.52 1dkt s LYS 11 N -5.06 3.50 -0.28 8.23 1.02 -1.26 -4.61 119.74 121.29 1dkt s LYS 11 Ca 0.58 0.13 -0.02 0.00 0.02 0.00 0.00 55.97 56.68 1dkt s LYS 11 Cb -0.14 -2.40 0.16 0.00 -0.52 0.00 0.00 37.83 34.93 1dkt s LYS 11 CO 0.55 -0.19 0.52 1.52 -0.92 0.00 0.00 175.35 176.82 1dkt s TYR 12 N -2.71 -1.29 0.37 3.18 1.13 -0.28 -4.98 117.35 112.76 1dkt s TYR 12 Ca 0.47 1.45 0.08 0.00 -1.41 0.00 0.00 57.07 57.66 1dkt s TYR 12 Cb -0.10 0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1dkt s TYR 12 CO 0.44 -0.80 0.30 0.16 -2.51 0.00 0.00 175.55 173.14 1dkt s ASP 13 N 2.75 5.08 0.00 -0.18 1.47 -1.26 -1.08 116.67 123.44 1dkt s ASP 13 Ca 0.16 -0.65 0.00 0.00 1.18 0.00 0.00 52.55 53.24 1dkt s ASP 13 Cb -0.15 -0.77 0.00 0.00 -0.34 0.00 0.00 42.92 41.66 1dkt s ASP 13 CO -0.19 -0.46 0.00 -0.90 0.68 0.00 0.00 175.17 174.30 1dkt n ASP 14 N -1.40 1.18 -2.62 2.11 5.75 -0.01 -4.95 116.55 116.60 1dkt n ASP 14 Ca -0.00 -0.77 -0.21 0.00 -0.01 0.00 0.00 54.79 53.79 1dkt n ASP 14 Cb 0.61 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.61 1dkt n ASP 14 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1dkt n GLU 15 N 0.00 2.43 0.00 0.11 0.00 -1.26 -3.75 120.64 118.17 1dkt n GLU 15 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 57.16 55.78 1dkt n GLU 15 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 31.44 29.15 1dkt n GLU 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1dkt n GLU 16 N 3.11 0.00 -4.55 3.44 4.07 -1.26 -5.12 120.64 120.32 1dkt n GLU 16 Ca 0.52 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 57.36 1dkt n GLU 16 Cb 0.53 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.81 1dkt n GLU 16 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1dkt s PHE 17 N 0.00 2.09 -0.20 4.31 0.08 -1.25 -1.72 117.98 121.30 1dkt s PHE 17 Ca 0.00 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.13 1dkt s PHE 17 Cb 0.00 -1.46 0.05 0.00 -0.57 0.00 0.00 43.02 41.04 1dkt s PHE 17 CO 0.00 0.13 -0.06 -2.00 -0.10 0.00 0.00 175.22 173.19 1dkt s GLU 18 N -3.81 1.57 0.25 0.44 2.12 0.21 -0.83 118.70 118.64 1dkt s GLU 18 Ca 0.30 -0.77 0.05 0.00 0.36 0.00 0.00 54.97 54.91 1dkt s GLU 18 Cb 0.07 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 1dkt s GLU 18 CO 0.14 -0.52 0.36 0.71 -0.54 0.00 0.00 175.26 175.41 1dkt s TYR 19 N 1.50 3.38 -0.29 5.30 1.51 -0.24 -1.06 117.35 127.45 1dkt s TYR 19 Ca -0.03 -0.05 -0.16 0.00 -1.01 0.00 0.00 57.07 55.82 1dkt s TYR 19 Cb -0.17 -1.60 0.16 0.00 -0.11 0.00 0.00 41.96 40.24 1dkt s TYR 19 CO -0.07 0.40 1.02 0.50 -1.11 0.00 0.00 175.55 176.28 1dkt s ARG 20 N -3.99 0.32 0.11 -0.62 3.52 -1.07 -1.13 118.95 116.10 1dkt s ARG 20 Ca 0.35 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.57 1dkt s ARG 20 Cb -0.09 0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1dkt s ARG 20 CO 0.29 -0.07 0.17 -3.38 -0.81 0.00 0.00 175.30 171.49 1dkt s HIS 21 N 1.55 3.33 -0.01 5.12 -3.43 -1.26 -1.97 115.29 118.62 1dkt s HIS 21 Ca -0.07 0.11 0.05 0.00 -0.80 0.00 0.00 55.06 54.35 1dkt s HIS 21 Cb -0.04 -1.64 -0.03 0.00 -1.43 0.00 0.00 32.58 29.44 1dkt s HIS 21 CO -0.15 0.54 -0.16 0.08 -2.00 0.00 0.00 174.74 173.05 1dkt s VAL 22 N -1.58 2.96 -0.34 -5.38 1.01 0.17 -1.81 120.40 115.43 1dkt s VAL 22 Ca 0.32 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1dkt s VAL 22 Cb -0.12 -2.19 0.06 0.00 0.00 0.00 0.00 36.38 34.13 1dkt s VAL 22 CO 0.25 0.50 0.09 -0.32 0.00 0.00 0.00 175.10 175.61 1dkt s MET 23 N -1.00 2.46 0.24 2.72 0.00 0.11 -0.22 119.30 123.61 1dkt s MET 23 Ca 0.13 -1.32 -0.14 0.00 0.00 0.00 0.00 55.69 54.35 1dkt s MET 23 Cb -0.11 -3.39 -0.08 0.00 0.00 0.00 0.00 34.83 31.26 1dkt s MET 23 CO 0.02 -0.72 0.65 -0.51 0.00 0.00 0.00 175.02 174.46 1dkt s LEU 24 N 1.31 4.20 0.14 4.11 1.02 0.66 -1.98 118.68 128.14 1dkt s LEU 24 Ca -0.01 1.18 -0.31 0.00 0.02 0.00 0.00 54.13 55.00 1dkt s LEU 24 Cb -0.20 -3.71 -0.09 0.00 0.02 0.00 0.00 46.19 42.21 1dkt s LEU 24 CO 0.00 -0.06 1.45 -2.16 0.02 0.00 0.00 176.35 175.60 1dkt s PRO 25 N -2.53 4.29 0.64 1.29 0.04 -1.26 -4.77 135.00 132.70 1dkt s PRO 25 Ca 0.47 2.17 0.23 0.00 0.04 0.00 0.00 61.00 63.91 1dkt s PRO 25 Cb -0.13 -3.21 1.15 0.00 0.04 0.00 0.00 34.50 32.35 1dkt s PRO 25 CO 0.19 -0.49 1.64 0.87 0.04 0.00 0.00 177.00 179.25 1dkt h LYS 26 N 6.74 0.00 0.00 4.56 1.57 -1.95 0.26 116.57 127.75 1dkt h LYS 26 Ca -0.42 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1dkt h LYS 26 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1dkt h LYS 26 CO 0.88 0.00 -0.10 -0.44 -0.57 0.00 0.00 179.45 179.21 1dkt h ASP 27 N 0.00 0.00 -0.08 0.86 3.32 -2.02 -2.60 116.42 115.90 1dkt h ASP 27 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1dkt h ASP 27 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1dkt h ASP 27 CO -0.00 0.10 0.00 -0.38 -1.72 0.00 0.00 179.24 177.24 1dkt n ILE 28 N -3.70 0.09 -0.07 0.35 -0.00 0.92 -4.58 119.36 112.37 1dkt n ILE 28 Ca -0.02 -0.55 0.17 0.00 -0.00 0.00 0.00 62.75 62.35 1dkt n ILE 28 Cb 0.22 1.34 0.59 0.00 -0.00 0.00 0.00 39.64 41.78 1dkt n ILE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1dkt h ALA 29 N 3.96 2.27 0.00 -1.39 0.00 -1.49 -1.03 119.26 121.58 1dkt h ALA 29 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dkt h ALA 29 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1dkt h ALA 29 CO 0.00 -0.44 0.00 1.57 0.00 0.00 0.00 179.25 180.38 1dkt h LYS 30 N 0.22 0.00 -0.00 0.00 2.10 -1.81 -2.50 116.57 114.59 1dkt h LYS 30 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1dkt h LYS 30 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 1dkt h LYS 30 CO -0.06 0.00 -0.05 1.28 -2.00 0.00 0.00 179.45 178.62 1dkt n LEU 31 N -3.05 0.08 -4.62 7.07 4.77 -0.39 -4.76 117.00 116.11 1dkt n LEU 31 Ca -0.00 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 1dkt n LEU 31 Cb 0.26 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1dkt n LEU 31 CO 0.25 0.02 0.62 -0.69 -1.33 0.00 0.00 177.39 176.26 1dkt s VAL 32 N -2.85 4.78 0.23 4.08 1.01 -0.94 -5.00 120.40 121.71 1dkt s VAL 32 Ca 0.19 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 1dkt s VAL 32 Cb 0.19 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 32.27 1dkt s VAL 32 CO 0.52 -0.24 1.13 -2.65 0.00 0.00 0.00 175.10 173.87 1dkt n PRO 33 N 6.21 1.37 -0.04 2.72 -0.02 -1.26 -4.92 135.00 139.06 1dkt n PRO 33 Ca 0.04 0.49 -0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1dkt n PRO 33 Cb 0.48 -1.95 -0.15 0.00 -0.02 0.00 0.00 33.50 31.86 1dkt n PRO 33 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1dkt n LYS 34 N 1.34 0.67 0.00 -0.52 4.76 -1.26 -4.51 118.16 118.64 1dkt n LYS 34 Ca 0.12 -0.05 0.10 0.00 -2.87 0.00 0.00 58.31 55.61 1dkt n LYS 34 Cb 0.29 -1.57 -0.07 0.00 -1.84 0.00 0.00 35.03 31.84 1dkt n LYS 34 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1dkt n THR 35 N -2.58 0.00 -3.94 -0.18 -2.24 -1.26 -4.99 114.28 99.09 1dkt n THR 35 Ca -0.18 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 1dkt n THR 35 Cb 0.87 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 70.08 1dkt n THR 35 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1dkt s HIS 36 N -2.66 0.18 0.52 4.78 -3.43 -1.26 -5.14 115.29 108.28 1dkt s HIS 36 Ca 0.11 -0.38 -0.19 0.00 -0.80 0.00 0.00 55.06 53.79 1dkt s HIS 36 Cb 0.15 -0.14 -0.07 0.00 -1.43 0.00 0.00 32.58 31.10 1dkt s HIS 36 CO 0.70 -0.23 1.08 -0.51 -2.00 0.00 0.00 174.74 173.78 1dkt s LEU 37 N -1.44 3.76 0.55 5.38 1.43 -1.26 -4.73 118.68 122.37 1dkt s LEU 37 Ca -0.15 2.02 -0.08 0.00 -1.03 0.00 0.00 54.13 54.88 1dkt s LEU 37 Cb -0.09 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 1dkt s LEU 37 CO -0.00 -1.02 0.91 -0.04 0.23 0.00 0.00 176.35 176.43 1dkt s MET 38 N -3.36 3.57 0.19 1.70 -1.94 -1.26 -5.09 119.30 113.11 1dkt s MET 38 Ca 0.69 0.48 0.09 0.00 -1.71 0.00 0.00 55.69 55.24 1dkt s MET 38 Cb -0.19 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.38 1dkt s MET 38 CO 0.25 -0.39 -0.08 -1.54 -0.01 0.00 0.00 175.02 173.25 1dkt s SER 39 N -4.14 4.33 0.37 3.03 1.04 -1.26 -4.50 113.70 112.57 1dkt s SER 39 Ca 0.51 -0.58 0.22 0.00 0.48 0.00 0.00 55.95 56.58 1dkt s SER 39 Cb -0.11 -0.76 1.36 0.00 0.10 0.00 0.00 66.02 66.61 1dkt s SER 39 CO 0.50 0.09 1.57 1.21 0.98 0.00 0.00 173.24 177.58 1dkt n GLU 40 N -0.11 -0.06 -0.14 4.02 2.13 -1.26 0.89 120.64 126.11 1dkt n GLU 40 Ca -0.10 1.36 -0.09 0.00 0.66 0.00 0.00 57.16 58.99 1dkt n GLU 40 Cb 0.56 -2.47 -0.01 0.00 0.27 0.00 0.00 31.44 29.79 1dkt n GLU 40 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1dkt h SER 41 N 0.00 0.60 0.78 4.31 0.87 -1.98 -1.84 113.55 116.29 1dkt h SER 41 Ca 0.85 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 61.15 1dkt h SER 41 Cb 2.29 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 64.10 1dkt h SER 41 CO -0.74 0.66 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.52 1dkt h GLU 42 N 0.51 -1.01 0.00 2.24 5.08 0.11 -2.50 114.58 119.01 1dkt h GLU 42 Ca 0.13 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1dkt h GLU 42 Cb 0.29 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1dkt h GLU 42 CO -0.00 -0.67 -0.07 0.11 -1.00 0.00 0.00 179.01 177.38 1dkt h TRP 43 N -1.26 0.00 0.00 4.33 5.08 -1.51 0.29 115.95 122.88 1dkt h TRP 43 Ca -0.11 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.83 1dkt h TRP 43 Cb 0.80 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.96 1dkt h TRP 43 CO 0.00 0.07 -0.17 -0.09 -1.28 0.00 0.00 178.44 176.97 1dkt h ARG 44 N 0.00 0.00 0.00 0.12 2.43 -1.24 -2.49 114.38 113.20 1dkt h ARG 44 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1dkt h ARG 44 Cb 0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1dkt h ARG 44 CO 0.01 0.17 -0.40 -0.91 -1.51 0.00 0.00 179.97 177.34 1dkt h ASN 45 N 0.00 0.00 1.04 -3.80 2.35 0.04 -2.99 115.58 112.22 1dkt h ASN 45 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dkt h ASN 45 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1dkt h ASN 45 CO 0.02 0.40 0.00 0.18 -1.65 0.00 0.00 177.43 176.38 1dkt n LEU 46 N -3.26 0.61 0.00 1.61 4.77 -0.95 -4.86 117.00 114.93 1dkt n LEU 46 Ca 0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1dkt n LEU 46 Cb 0.65 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1dkt n LEU 46 CO 0.38 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1dkt n GLY 47 N 0.67 1.10 3.65 -0.72 0.00 -1.13 -5.09 105.19 103.67 1dkt n GLY 47 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1dkt n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dkt s VAL 48 N -2.00 4.26 -0.19 1.61 1.01 -1.14 -5.01 120.40 118.94 1dkt s VAL 48 Ca 0.00 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 1dkt s VAL 48 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1dkt s VAL 48 CO 0.00 -0.24 -0.09 -1.10 0.00 0.00 0.00 175.10 173.67 1dkt s GLN 49 N 3.69 3.33 0.11 2.72 -0.21 -1.26 -4.35 119.66 123.70 1dkt s GLN 49 Ca 0.55 -0.67 -0.25 0.00 0.02 0.00 0.00 55.36 55.00 1dkt s GLN 49 Cb -0.20 -2.84 0.08 0.00 1.00 0.00 0.00 33.01 31.06 1dkt s GLN 49 CO 0.17 -0.08 1.09 1.14 -2.12 0.00 0.00 175.29 175.49 1dkt s GLN 50 N 1.12 0.99 0.15 2.91 -2.07 -1.26 -5.13 119.66 116.36 1dkt s GLN 50 Ca 0.01 -0.59 -0.34 0.00 -1.82 0.00 0.00 55.36 52.61 1dkt s GLN 50 Cb -0.14 0.31 -0.15 0.00 -1.09 0.00 0.00 33.01 31.93 1dkt s GLN 50 CO -0.02 -0.46 1.34 0.45 -1.32 0.00 0.00 175.29 175.28 1dkt n SER 51 N -0.80 1.97 -0.04 12.60 2.88 -1.26 -4.83 113.62 124.14 1dkt n SER 51 Ca -0.05 1.12 0.23 0.00 -1.33 0.00 0.00 58.87 58.85 1dkt n SER 51 Cb 0.60 -1.27 0.72 0.00 -0.75 0.00 0.00 64.21 63.51 1dkt n SER 51 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1dkt h GLN 52 N 4.42 0.00 0.00 -1.46 4.15 -2.03 -1.35 115.11 118.84 1dkt h GLN 52 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1dkt h GLN 52 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1dkt h GLN 52 CO 0.77 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 178.08 1dkt n GLY 53 N -1.62 -0.79 3.71 2.39 0.00 -1.26 -4.77 105.19 102.85 1dkt n GLY 53 Ca 0.12 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1dkt n GLY 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dkt s TRP 54 N -2.10 3.63 -0.13 1.61 0.52 -0.51 -4.52 118.94 117.45 1dkt s TRP 54 Ca 0.33 1.62 0.03 0.00 0.02 0.00 0.00 56.10 58.10 1dkt s TRP 54 Cb 0.16 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.41 1dkt s TRP 54 CO 0.29 -0.02 -0.21 0.08 0.02 0.00 0.00 176.95 177.11 1dkt s VAL 55 N 1.08 2.19 -0.54 4.03 1.01 -0.04 -4.89 120.40 123.24 1dkt s VAL 55 Ca 0.49 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 1dkt s VAL 55 Cb -0.20 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1dkt s VAL 55 CO 0.25 0.55 1.68 -2.28 0.00 0.00 0.00 175.10 175.30 1dkt s HIS 56 N 0.64 1.93 -1.36 5.22 2.46 -1.26 -2.22 115.29 120.70 1dkt s HIS 56 Ca -0.11 0.62 0.16 0.00 0.47 0.00 0.00 55.06 56.20 1dkt s HIS 56 Cb -0.16 -4.22 -0.02 0.00 -0.13 0.00 0.00 32.58 28.05 1dkt s HIS 56 CO 0.02 -2.32 0.82 2.48 -2.47 0.00 0.00 174.74 173.27 1dkt n TYR 57 N 11.03 0.00 -3.52 3.88 4.11 -1.04 -4.56 117.16 127.06 1dkt n TYR 57 Ca 0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.97 1dkt n TYR 57 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.80 1dkt n TYR 57 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.86 178.27 1dkt s MET 58 N -1.92 0.81 -0.17 -3.48 0.00 -1.25 -5.11 119.30 108.18 1dkt s MET 58 Ca 0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 55.69 55.59 1dkt s MET 58 Cb 0.12 0.38 -0.05 0.00 0.00 0.00 0.00 34.83 35.28 1dkt s MET 58 CO 0.42 -0.31 0.21 0.42 0.00 0.00 0.00 175.02 175.76 1dkt s ILE 59 N -2.28 5.36 -0.79 10.11 -1.09 -1.26 -3.94 121.20 127.30 1dkt s ILE 59 Ca 0.01 0.38 -0.22 0.00 -2.23 0.00 0.00 60.65 58.58 1dkt s ILE 59 Cb -0.01 -3.55 0.08 0.00 -1.58 0.00 0.00 42.46 37.40 1dkt s ILE 59 CO -0.04 0.44 1.13 -2.28 -1.23 0.00 0.00 174.94 172.96 1dkt s HIS 60 N 0.21 2.71 0.12 3.97 5.65 -1.26 -4.91 115.29 121.79 1dkt s HIS 60 Ca 0.13 -0.74 -0.30 0.00 0.25 0.00 0.00 55.06 54.40 1dkt s HIS 60 Cb -0.12 -4.40 -0.07 0.00 -1.18 0.00 0.00 32.58 26.80 1dkt s HIS 60 CO 0.02 -1.72 1.58 0.93 -0.65 0.00 0.00 174.74 174.91 1dkt h GLU 61 N 9.48 -0.53 -0.92 2.88 4.39 -1.95 -1.95 114.58 125.98 1dkt h GLU 61 Ca -0.10 0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.80 1dkt h GLU 61 Cb 1.05 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.72 1dkt h GLU 61 CO 1.21 -0.35 0.52 -1.35 -1.16 0.00 0.00 179.01 177.88 1dkt h PRO 62 N -0.55 0.68 -2.54 2.33 0.11 -2.00 -3.30 132.00 126.73 1dkt h PRO 62 Ca 0.06 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.53 1dkt h PRO 62 Cb 0.65 -0.15 -0.39 0.00 0.11 0.00 0.00 31.00 31.21 1dkt h PRO 62 CO -0.35 0.45 -0.89 -1.21 -0.21 0.00 0.00 178.00 175.79 1dkt s GLU 63 N -5.93 0.96 0.00 1.05 2.02 -1.09 -4.99 118.70 110.73 1dkt s GLU 63 Ca -0.12 -1.98 0.02 0.00 0.02 0.00 0.00 54.97 52.91 1dkt s GLU 63 Cb 0.23 -1.62 0.09 0.00 0.10 0.00 0.00 34.13 32.93 1dkt s GLU 63 CO 0.79 -1.31 0.99 -0.35 0.02 0.00 0.00 175.26 175.40 1dkt n PRO 64 N 3.17 0.01 0.00 0.39 -0.04 -0.75 -1.18 135.00 136.60 1dkt n PRO 64 Ca 0.22 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 1dkt n PRO 64 Cb 0.43 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.86 1dkt n PRO 64 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1dkt n HIS 65 N -1.42 0.00 -3.41 0.54 1.44 -1.26 -4.57 115.22 106.54 1dkt n HIS 65 Ca 0.01 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.28 1dkt n HIS 65 Cb 0.02 -0.26 -0.06 0.00 0.12 0.00 0.00 29.99 29.81 1dkt n HIS 65 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1dkt s ILE 66 N -2.74 4.80 0.27 0.61 1.01 -0.33 -0.25 121.20 124.58 1dkt s ILE 66 Ca 0.20 -1.60 -0.29 0.00 0.00 0.00 0.00 60.65 58.95 1dkt s ILE 66 Cb 0.19 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1dkt s ILE 66 CO 0.56 -0.82 1.13 -0.76 0.00 0.00 0.00 174.94 175.04 1dkt s LEU 67 N 1.50 4.53 -0.34 2.97 1.43 0.69 -4.25 118.68 125.22 1dkt s LEU 67 Ca 0.04 2.30 -0.08 0.00 -1.03 0.00 0.00 54.13 55.36 1dkt s LEU 67 Cb -0.28 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.34 1dkt s LEU 67 CO 0.02 -0.21 0.12 -0.76 0.23 0.00 0.00 176.35 175.75 1dkt s LEU 68 N -1.30 4.29 0.36 1.79 1.02 -1.25 -0.66 118.68 122.93 1dkt s LEU 68 Ca 0.46 -1.00 0.08 0.00 0.02 0.00 0.00 54.13 53.69 1dkt s LEU 68 Cb -0.33 -1.91 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 1dkt s LEU 68 CO 0.41 -0.31 0.20 -0.36 0.02 0.00 0.00 176.35 176.32 1dkt s PHE 69 N 1.46 2.73 -0.05 0.29 0.08 -0.83 -2.48 117.98 119.18 1dkt s PHE 69 Ca 0.00 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.35 1dkt s PHE 69 Cb -0.19 -1.77 0.11 0.00 -0.57 0.00 0.00 43.02 40.59 1dkt s PHE 69 CO 0.04 0.24 0.90 -0.98 -0.10 0.00 0.00 175.22 175.31 1dkt s ARG 70 N -3.91 0.79 0.03 0.44 1.70 -0.94 -2.58 118.95 114.46 1dkt s ARG 70 Ca 0.40 -0.15 -0.09 0.00 -0.47 0.00 0.00 55.73 55.42 1dkt s ARG 70 Cb -0.02 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1dkt s ARG 70 CO 0.24 -0.32 0.18 -0.98 -1.08 0.00 0.00 175.30 173.35 1dkt s ARG 71 N -2.48 0.63 0.20 3.89 1.70 -0.22 -0.86 118.95 121.81 1dkt s ARG 71 Ca 0.02 -0.55 -0.32 0.00 -0.47 0.00 0.00 55.73 54.41 1dkt s ARG 71 Cb -0.01 0.26 -0.13 0.00 -0.57 0.00 0.00 34.95 34.51 1dkt s ARG 71 CO -0.05 -0.17 1.68 -0.35 -1.08 0.00 0.00 175.30 175.33 1dkt n PRO 72 N 0.92 2.61 -2.84 3.89 -0.04 -1.26 -0.62 135.00 137.65 1dkt n PRO 72 Ca -0.20 0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 63.78 1dkt n PRO 72 Cb 0.58 -2.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.23 1dkt n PRO 72 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dkt s LEU 73 N 1.06 4.03 0.65 1.53 2.96 -0.70 -4.78 118.68 123.44 1dkt s LEU 73 Ca 0.76 0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 55.11 1dkt s LEU 73 Cb -0.55 -3.21 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1dkt s LEU 73 CO 0.34 -0.78 1.28 -2.84 -1.32 0.00 0.00 176.35 173.03 1dkt s PRO 74 N 3.31 2.54 0.09 0.98 0.02 -1.26 -4.78 135.00 135.90 1dkt s PRO 74 Ca 0.37 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.41 1dkt s PRO 74 Cb -0.13 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1dkt s PRO 74 CO 0.16 -1.60 0.00 1.63 -0.33 0.00 0.00 177.00 176.87 1dkt n LYS 75 N -1.95 -2.35 0.00 5.54 5.02 -1.26 -5.14 118.16 118.02 1dkt n LYS 75 Ca 0.16 1.95 0.00 0.00 -2.02 0.00 0.00 58.31 58.39 1dkt n LYS 75 Cb 0.48 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1dkt n LYS 75 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24