#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 3.60 0.08 -0.39 1.01 -1.26 -4.35 121.20 119.88 1dkt s ILE 6 Ca 0.00 1.42 0.07 0.00 0.00 0.00 0.00 60.65 62.14 1dkt s ILE 6 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1dkt s ILE 6 CO 0.00 0.27 -0.18 -0.31 0.00 0.00 0.00 174.94 174.72 1dkt s TYR 7 N -0.43 1.55 -0.11 3.97 1.51 -0.59 -5.00 117.35 118.25 1dkt s TYR 7 Ca 0.50 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1dkt s TYR 7 Cb -0.32 -0.87 -0.00 0.00 -0.11 0.00 0.00 41.96 40.66 1dkt s TYR 7 CO 0.38 0.13 -0.22 0.71 -1.11 0.00 0.00 175.55 175.44 1dkt s TYR 8 N -1.11 2.62 1.12 2.71 1.51 -1.26 -0.53 117.35 122.40 1dkt s TYR 8 Ca 0.03 -1.02 -0.18 0.00 -1.01 0.00 0.00 57.07 54.90 1dkt s TYR 8 Cb -0.10 -1.75 0.25 0.00 -0.11 0.00 0.00 41.96 40.26 1dkt s TYR 8 CO 0.03 -0.41 1.16 -1.54 -1.11 0.00 0.00 175.55 173.68 1dkt s SER 9 N 0.41 1.66 1.06 2.29 1.04 -0.45 -5.01 113.70 114.70 1dkt s SER 9 Ca -0.16 0.58 -0.17 0.00 0.48 0.00 0.00 55.95 56.69 1dkt s SER 9 Cb -0.17 -0.81 0.23 0.00 0.10 0.00 0.00 66.02 65.36 1dkt s SER 9 CO 0.07 -3.66 1.19 -0.62 0.98 0.00 0.00 173.24 171.20 1dkt s ASP 10 N -4.13 2.20 0.04 7.02 -1.08 -1.26 -4.73 116.67 114.73 1dkt s ASP 10 Ca 0.71 0.57 0.06 0.00 -0.52 0.00 0.00 52.55 53.37 1dkt s ASP 10 Cb -0.09 -0.82 -0.03 0.00 -1.46 0.00 0.00 42.92 40.52 1dkt s ASP 10 CO 0.55 -3.33 -0.13 -0.54 0.52 0.00 0.00 175.17 172.24 1dkt s LYS 11 N -5.55 2.23 0.32 4.34 1.02 -1.26 -4.55 119.74 116.29 1dkt s LYS 11 Ca 0.71 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 55.82 1dkt s LYS 11 Cb -0.09 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1dkt s LYS 11 CO 0.54 0.55 0.17 1.52 -0.92 0.00 0.00 175.35 177.22 1dkt s TYR 12 N -0.99 1.64 -0.28 3.18 1.13 -0.76 -4.99 117.35 116.27 1dkt s TYR 12 Ca 0.16 -1.40 -0.25 0.00 -1.41 0.00 0.00 57.07 54.18 1dkt s TYR 12 Cb -0.11 -0.87 0.13 0.00 -1.10 0.00 0.00 41.96 40.01 1dkt s TYR 12 CO 0.07 -0.55 1.06 0.16 -2.51 0.00 0.00 175.55 173.79 1dkt s ASP 13 N -3.40 -0.42 0.00 -0.18 1.47 -1.26 0.37 116.67 113.25 1dkt s ASP 13 Ca 0.35 0.81 0.00 0.00 1.18 0.00 0.00 52.55 54.89 1dkt s ASP 13 Cb 0.04 0.84 0.00 0.00 -0.34 0.00 0.00 42.92 43.46 1dkt s ASP 13 CO 0.18 -0.14 0.00 -0.90 0.68 0.00 0.00 175.17 175.00 1dkt n ASP 14 N 2.24 0.00 -0.28 2.11 5.68 -0.13 -4.97 116.55 121.20 1dkt n ASP 14 Ca -0.13 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.17 1dkt n ASP 14 Cb 0.56 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.75 1dkt n ASP 14 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1dkt h GLU 15 N 0.00 1.07 0.00 0.11 -0.00 -2.04 -3.34 114.58 110.38 1dkt h GLU 15 Ca 0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 59.36 59.20 1dkt h GLU 15 Cb 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 28.75 28.49 1dkt h GLU 15 CO 0.00 0.71 -1.49 -0.85 -0.00 0.00 0.00 179.01 177.38 1dkt n GLU 16 N -4.43 1.80 -4.37 1.06 0.28 -1.26 -4.95 120.64 108.77 1dkt n GLU 16 Ca 0.11 -0.03 -0.27 0.00 -0.16 0.00 0.00 57.16 56.81 1dkt n GLU 16 Cb 0.08 -1.21 -0.11 0.00 1.43 0.00 0.00 31.44 31.63 1dkt n GLU 16 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1dkt s PHE 17 N -2.34 2.44 -0.30 -1.84 0.08 -1.25 -1.32 117.98 113.44 1dkt s PHE 17 Ca -0.04 -0.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.68 1dkt s PHE 17 Cb 0.04 -1.20 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1dkt s PHE 17 CO 0.34 0.50 0.02 -2.00 -0.10 0.00 0.00 175.22 173.98 1dkt s GLU 18 N -2.71 2.64 0.29 0.44 2.12 0.47 -0.95 118.70 121.00 1dkt s GLU 18 Ca 0.22 -1.14 -0.02 0.00 0.36 0.00 0.00 54.97 54.39 1dkt s GLU 18 Cb -0.08 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1dkt s GLU 18 CO 0.12 -0.57 0.52 0.71 -0.54 0.00 0.00 175.26 175.50 1dkt s TYR 19 N 1.33 3.49 0.12 5.30 2.02 0.16 -2.06 117.35 127.71 1dkt s TYR 19 Ca -0.02 0.47 -0.25 0.00 -0.37 0.00 0.00 57.07 56.90 1dkt s TYR 19 Cb -0.19 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.47 1dkt s TYR 19 CO -0.00 0.20 0.77 0.50 -1.57 0.00 0.00 175.55 175.44 1dkt s ARG 20 N -3.77 1.18 -0.04 -0.62 3.52 -1.11 -1.83 118.95 116.28 1dkt s ARG 20 Ca 0.41 -0.51 -0.07 0.00 -0.13 0.00 0.00 55.73 55.43 1dkt s ARG 20 Cb -0.10 0.49 0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1dkt s ARG 20 CO 0.32 -0.53 0.17 -3.38 -0.81 0.00 0.00 175.30 171.07 1dkt s HIS 21 N -3.49 -0.11 -0.09 5.12 -3.43 -1.26 -0.85 115.29 111.17 1dkt s HIS 21 Ca 0.05 0.25 -0.04 0.00 -0.80 0.00 0.00 55.06 54.52 1dkt s HIS 21 Cb -0.02 0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1dkt s HIS 21 CO -0.07 -0.17 0.07 0.08 -2.00 0.00 0.00 174.74 172.65 1dkt s VAL 22 N -0.47 4.86 -0.28 -5.38 1.01 0.43 -1.34 120.40 119.23 1dkt s VAL 22 Ca -0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1dkt s VAL 22 Cb -0.04 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1dkt s VAL 22 CO 0.01 0.59 0.02 -0.32 0.00 0.00 0.00 175.10 175.40 1dkt s MET 23 N -1.01 2.83 0.10 2.72 0.00 0.31 -0.58 119.30 123.66 1dkt s MET 23 Ca 0.15 -1.01 -0.05 0.00 0.00 0.00 0.00 55.69 54.78 1dkt s MET 23 Cb -0.12 -3.21 -0.05 0.00 0.00 0.00 0.00 34.83 31.45 1dkt s MET 23 CO 0.04 -0.49 0.34 -0.51 0.00 0.00 0.00 175.02 174.40 1dkt s LEU 24 N 1.38 4.31 0.43 4.11 1.43 0.32 -1.55 118.68 129.12 1dkt s LEU 24 Ca -0.00 0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 1dkt s LEU 24 Cb -0.18 -3.11 -0.08 0.00 0.03 0.00 0.00 46.19 42.86 1dkt s LEU 24 CO -0.01 0.12 1.28 -2.16 0.23 0.00 0.00 176.35 175.82 1dkt s PRO 25 N -2.37 3.81 0.64 1.29 0.04 -1.26 -4.78 135.00 132.37 1dkt s PRO 25 Ca 0.37 2.10 0.25 0.00 0.04 0.00 0.00 61.00 63.76 1dkt s PRO 25 Cb -0.13 -2.62 1.33 0.00 0.04 0.00 0.00 34.50 33.12 1dkt s PRO 25 CO 0.23 -0.60 1.75 -0.22 0.04 0.00 0.00 177.00 178.20 1dkt h LYS 26 N 2.39 0.00 0.29 4.56 1.63 -1.97 -1.40 116.57 122.08 1dkt h LYS 26 Ca -0.50 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1dkt h LYS 26 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1dkt h LYS 26 CO 0.61 0.00 -0.14 0.22 -3.45 0.00 0.00 179.45 176.69 1dkt h ASP 27 N 0.00 -0.33 1.49 4.20 1.82 -2.03 -3.13 116.42 118.43 1dkt h ASP 27 Ca 0.08 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1dkt h ASP 27 Cb 1.11 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1dkt h ASP 27 CO -0.00 -0.15 -0.26 0.16 -1.61 0.00 0.00 179.24 177.38 1dkt h ILE 28 N -0.50 0.00 0.00 2.25 3.07 -1.62 -3.20 117.51 117.50 1dkt h ILE 28 Ca -0.04 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 65.62 1dkt h ILE 28 Cb 0.38 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 1dkt h ILE 28 CO 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.17 1dkt h ALA 29 N 2.25 1.00 -0.67 0.16 0.00 -1.40 0.72 119.26 121.32 1dkt h ALA 29 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1dkt h ALA 29 Cb 0.87 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1dkt h ALA 29 CO 0.00 0.00 0.13 0.87 0.00 0.00 0.00 179.25 180.25 1dkt h LYS 30 N 0.00 1.09 0.00 0.00 1.57 -1.61 -2.96 116.57 114.66 1dkt h LYS 30 Ca 0.00 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1dkt h LYS 30 Cb 0.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1dkt h LYS 30 CO 0.00 0.99 0.00 1.28 -0.57 0.00 0.00 179.45 181.15 1dkt n LEU 31 N -4.24 0.00 -4.63 2.94 4.77 0.24 -4.78 117.00 111.31 1dkt n LEU 31 Ca 0.04 0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 55.94 1dkt n LEU 31 Cb 0.28 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1dkt n LEU 31 CO 0.43 -0.04 1.23 -0.69 -1.33 0.00 0.00 177.39 176.99 1dkt s VAL 32 N -2.69 3.96 0.34 4.08 1.01 -1.12 -4.96 120.40 121.02 1dkt s VAL 32 Ca 0.22 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 1dkt s VAL 32 Cb 0.18 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 1dkt s VAL 32 CO 0.43 -0.45 1.42 -0.81 0.00 0.00 0.00 175.10 175.69 1dkt n PRO 33 N 7.54 2.42 0.04 2.72 -0.04 -1.26 -4.92 135.00 141.49 1dkt n PRO 33 Ca 0.16 0.85 0.11 0.00 -0.04 0.00 0.00 63.50 64.59 1dkt n PRO 33 Cb 0.46 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 1dkt n PRO 33 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1dkt n LYS 34 N 0.83 0.49 0.03 0.54 5.02 -1.26 -4.36 118.16 119.44 1dkt n LYS 34 Ca 0.04 -0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.42 1dkt n LYS 34 Cb 0.37 -1.64 0.02 0.00 -0.02 0.00 0.00 35.03 33.76 1dkt n LYS 34 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1dkt n THR 35 N -2.25 0.16 -3.66 -0.18 -2.24 -1.26 -5.00 114.28 99.85 1dkt n THR 35 Ca -0.00 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1dkt n THR 35 Cb 0.51 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 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 -3.19 -0.27 0.82 4.78 -3.43 -1.26 -5.15 115.29 107.59 1dkt s HIS 36 Ca 0.04 0.21 -0.11 0.00 -0.80 0.00 0.00 55.06 54.39 1dkt s HIS 36 Cb 0.14 0.23 0.09 0.00 -1.43 0.00 0.00 32.58 31.61 1dkt s HIS 36 CO 0.80 -0.59 1.12 -0.51 -2.00 0.00 0.00 174.74 173.57 1dkt s LEU 37 N -2.09 3.01 0.03 5.38 1.43 -1.26 -4.75 118.68 120.43 1dkt s LEU 37 Ca -0.04 2.03 -0.03 0.00 -1.03 0.00 0.00 54.13 55.05 1dkt s LEU 37 Cb -0.01 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 1dkt s LEU 37 CO -0.03 -2.46 0.24 -0.04 0.23 0.00 0.00 176.35 174.29 1dkt s MET 38 N -4.66 3.50 0.61 1.70 -1.94 -1.26 -5.08 119.30 112.17 1dkt s MET 38 Ca 0.65 -0.25 -0.05 0.00 -1.71 0.00 0.00 55.69 54.33 1dkt s MET 38 Cb -0.21 -3.05 0.02 0.00 2.01 0.00 0.00 34.83 33.61 1dkt s MET 38 CO 0.55 0.63 0.91 -1.54 -0.01 0.00 0.00 175.02 175.56 1dkt s SER 39 N -2.06 5.37 0.24 3.03 1.04 -1.26 -4.47 113.70 115.59 1dkt s SER 39 Ca 0.31 0.58 -0.05 0.00 0.48 0.00 0.00 55.95 57.26 1dkt s SER 39 Cb -0.13 -1.48 0.41 0.00 0.10 0.00 0.00 66.02 64.93 1dkt s SER 39 CO 0.21 -1.20 1.75 -0.08 0.98 0.00 0.00 173.24 174.90 1dkt h GLU 40 N -0.25 0.50 -0.96 4.02 4.81 -1.99 0.24 114.58 120.95 1dkt h GLU 40 Ca -0.45 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1dkt h GLU 40 Cb 1.28 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.48 1dkt h GLU 40 CO 0.60 0.33 0.62 0.77 -0.73 0.00 0.00 179.01 180.60 1dkt h SER 41 N 0.51 0.99 0.50 1.04 0.02 -1.99 -1.34 113.55 113.28 1dkt h SER 41 Ca 0.39 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1dkt h SER 41 Cb 0.53 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1dkt h SER 41 CO -0.35 0.64 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.41 1dkt h GLU 42 N 1.12 -0.64 -0.84 3.45 5.08 -0.93 -2.40 114.58 119.42 1dkt h GLU 42 Ca 0.41 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1dkt h GLU 42 Cb 0.16 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1dkt h GLU 42 CO -0.16 -0.35 0.49 0.11 -1.00 0.00 0.00 179.01 178.11 1dkt h TRP 43 N -1.03 1.12 -0.66 4.33 5.08 -1.15 -1.42 115.95 122.20 1dkt h TRP 43 Ca -0.07 -0.01 0.04 0.00 1.08 0.00 0.00 58.89 59.93 1dkt h TRP 43 Cb 0.60 -0.36 -0.04 0.00 -3.00 0.00 0.00 29.16 26.36 1dkt h TRP 43 CO 0.01 0.75 0.44 0.00 -1.28 0.00 0.00 178.44 178.36 1dkt h ARG 44 N 1.15 0.76 0.00 0.12 3.08 -1.32 0.34 114.38 118.51 1dkt h ARG 44 Ca 0.30 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1dkt h ARG 44 Cb -0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1dkt h ARG 44 CO -0.05 0.50 -0.17 -0.97 -1.07 0.00 0.00 179.97 178.21 1dkt h ASN 45 N 0.78 0.00 0.56 7.04 -0.00 -0.73 -1.97 115.58 121.26 1dkt h ASN 45 Ca 0.27 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.41 1dkt h ASN 45 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.40 1dkt h ASN 45 CO -0.08 0.17 -0.71 -0.07 -0.00 0.00 0.00 177.43 176.74 1dkt h LEU 46 N 0.00 0.15 0.00 0.34 3.38 0.04 -3.47 115.31 115.75 1dkt h LEU 46 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1dkt h LEU 46 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1dkt h LEU 46 CO 0.02 0.81 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1dkt n GLY 47 N 0.51 1.40 3.59 0.83 0.00 -0.74 -5.08 105.19 105.70 1dkt n GLY 47 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.09 3.01 -0.37 1.61 1.01 -1.18 -4.93 120.40 118.45 1dkt s VAL 48 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1dkt s VAL 48 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1dkt s VAL 48 CO 0.00 -0.01 0.34 -1.10 0.00 0.00 0.00 175.10 174.33 1dkt s GLN 49 N 6.87 3.32 0.12 2.72 -0.21 -1.26 -4.21 119.66 127.01 1dkt s GLN 49 Ca 1.00 -0.67 -0.10 0.00 0.02 0.00 0.00 55.36 55.62 1dkt s GLN 49 Cb -0.29 -3.88 0.00 0.00 1.00 0.00 0.00 33.01 29.85 1dkt s GLN 49 CO 0.33 -0.63 0.25 -0.65 -2.12 0.00 0.00 175.29 172.47 1dkt s GLN 50 N 1.91 0.97 0.63 2.91 -0.21 -1.26 -5.15 119.66 119.46 1dkt s GLN 50 Ca 0.09 -1.00 -0.16 0.00 0.02 0.00 0.00 55.36 54.31 1dkt s GLN 50 Cb -0.17 0.37 -0.02 0.00 1.00 0.00 0.00 33.01 34.19 1dkt s GLN 50 CO 0.12 -0.34 1.11 -1.54 -2.12 0.00 0.00 175.29 172.52 1dkt s SER 51 N -2.89 5.30 0.60 5.90 1.04 -1.26 -4.97 113.70 117.42 1dkt s SER 51 Ca 0.09 2.02 -0.18 0.00 0.48 0.00 0.00 55.95 58.35 1dkt s SER 51 Cb 0.04 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1dkt s SER 51 CO -0.08 -1.50 1.21 -1.58 0.98 0.00 0.00 173.24 172.27 1dkt s GLN 52 N -3.92 2.92 0.00 4.02 0.74 -1.26 -3.19 119.66 118.98 1dkt s GLN 52 Ca 0.68 1.81 0.00 0.00 0.05 0.00 0.00 55.36 57.90 1dkt s GLN 52 Cb -0.21 -1.92 0.00 0.00 1.10 0.00 0.00 33.01 31.98 1dkt s GLN 52 CO 0.38 -1.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.29 1dkt n GLY 53 N 0.48 1.24 3.66 2.59 0.00 -1.26 -5.05 105.19 106.86 1dkt n GLY 53 Ca 0.14 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.13 3.39 -0.06 1.61 0.52 -1.19 -4.40 118.94 117.67 1dkt s TRP 54 Ca 0.00 1.36 0.03 0.00 0.02 0.00 0.00 56.10 57.51 1dkt s TRP 54 Cb 0.00 -3.14 0.01 0.00 -1.15 0.00 0.00 33.47 29.19 1dkt s TRP 54 CO 0.00 -0.35 -0.15 0.54 0.02 0.00 0.00 176.95 177.01 1dkt s VAL 55 N 2.63 1.33 -0.53 4.03 0.11 0.53 -4.91 120.40 123.61 1dkt s VAL 55 Ca 0.41 -0.61 -0.26 0.00 -2.93 0.00 0.00 61.98 58.59 1dkt s VAL 55 Cb -0.16 -1.18 -0.07 0.00 -1.53 0.00 0.00 36.38 33.44 1dkt s VAL 55 CO 0.10 0.40 2.35 -2.28 -3.33 0.00 0.00 175.10 172.33 1dkt s HIS 56 N 0.45 1.14 -1.09 1.54 2.46 -1.26 -2.14 115.29 116.39 1dkt s HIS 56 Ca -0.12 1.51 0.21 0.00 0.47 0.00 0.00 55.06 57.13 1dkt s HIS 56 Cb -0.15 -3.63 -0.18 0.00 -0.13 0.00 0.00 32.58 28.49 1dkt s HIS 56 CO 0.04 -2.44 0.94 2.48 -2.47 0.00 0.00 174.74 173.29 1dkt n TYR 57 N 15.74 0.00 -3.69 3.88 4.11 -1.11 -4.56 117.16 131.53 1dkt n TYR 57 Ca 0.36 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 58.13 1dkt n TYR 57 Cb 0.54 -0.01 -0.09 0.00 -0.00 0.00 0.00 39.34 39.78 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 -2.95 0.57 0.08 -3.48 0.00 -1.25 -5.10 119.30 107.18 1dkt s MET 58 Ca 0.09 0.76 -0.23 0.00 0.00 0.00 0.00 55.69 56.31 1dkt s MET 58 Cb 0.16 0.23 -0.07 0.00 0.00 0.00 0.00 34.83 35.16 1dkt s MET 58 CO 0.84 -0.09 0.70 0.42 0.00 0.00 0.00 175.02 176.89 1dkt s ILE 59 N 0.53 4.64 -0.38 10.11 1.01 -1.26 -4.24 121.20 131.61 1dkt s ILE 59 Ca -0.02 1.51 0.02 0.00 0.00 0.00 0.00 60.65 62.15 1dkt s ILE 59 Cb -0.04 -4.05 0.11 0.00 0.01 0.00 0.00 42.46 38.49 1dkt s ILE 59 CO -0.03 0.47 0.15 -2.28 0.00 0.00 0.00 174.94 173.25 1dkt s HIS 60 N -0.66 2.35 0.15 3.97 2.46 -1.26 -5.01 115.29 117.29 1dkt s HIS 60 Ca 0.34 -2.35 -0.11 0.00 0.47 0.00 0.00 55.06 53.41 1dkt s HIS 60 Cb -0.21 -2.12 -0.01 0.00 -0.13 0.00 0.00 32.58 30.11 1dkt s HIS 60 CO 0.22 -0.85 1.53 0.93 -2.47 0.00 0.00 174.74 174.10 1dkt h GLU 61 N 7.41 0.94 -0.34 2.88 4.39 -1.96 -3.22 114.58 124.68 1dkt h GLU 61 Ca -0.07 -0.42 0.10 0.00 0.34 0.00 0.00 59.36 59.31 1dkt h GLU 61 Cb 0.98 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1dkt h GLU 61 CO 0.50 1.08 0.26 -1.00 -1.16 0.00 0.00 179.01 178.69 1dkt h PRO 62 N 0.78 0.00 -2.61 2.33 0.13 -2.00 -3.31 132.00 127.32 1dkt h PRO 62 Ca 0.10 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.63 1dkt h PRO 62 Cb 0.80 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.54 1dkt h PRO 62 CO 0.07 0.00 -0.86 -1.21 -0.23 0.00 0.00 178.00 175.77 1dkt s GLU 63 N -4.97 1.07 0.13 0.86 8.01 -1.21 -4.99 118.70 117.61 1dkt s GLU 63 Ca -0.05 -2.06 0.07 0.00 0.01 0.00 0.00 54.97 52.95 1dkt s GLU 63 Cb 0.18 -1.79 0.40 0.00 -4.31 0.00 0.00 34.13 28.62 1dkt s GLU 63 CO 0.69 -1.30 1.16 -0.35 0.01 0.00 0.00 175.26 175.47 1dkt n PRO 64 N 3.14 0.05 -0.07 0.39 -0.04 -1.24 -1.13 135.00 136.09 1dkt n PRO 64 Ca 0.21 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 1dkt n PRO 64 Cb 0.41 -1.76 0.18 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.73 0.19 -3.93 0.54 1.44 -1.26 -4.80 115.22 105.68 1dkt n HIS 65 Ca -0.00 -0.10 -0.35 0.00 -2.01 0.00 0.00 57.72 55.26 1dkt n HIS 65 Cb 0.11 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.08 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 -1.81 2.89 -0.23 0.61 1.01 -0.29 -0.52 121.20 122.87 1dkt s ILE 66 Ca 0.33 -1.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 1dkt s ILE 66 Cb 0.21 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1dkt s ILE 66 CO 0.31 -0.10 0.35 -0.76 0.00 0.00 0.00 174.94 174.73 1dkt s LEU 67 N 1.23 4.11 -0.36 2.97 1.43 0.25 -4.71 118.68 123.60 1dkt s LEU 67 Ca -0.05 0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 1dkt s LEU 67 Cb -0.20 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1dkt s LEU 67 CO -0.02 -0.08 0.67 -0.76 0.23 0.00 0.00 176.35 176.39 1dkt s LEU 68 N 1.49 4.24 0.34 1.79 1.02 -1.26 -0.43 118.68 125.87 1dkt s LEU 68 Ca 0.16 0.17 0.07 0.00 0.02 0.00 0.00 54.13 54.55 1dkt s LEU 68 Cb -0.15 -2.83 -0.02 0.00 0.02 0.00 0.00 46.19 43.21 1dkt s LEU 68 CO 0.08 -0.63 0.34 -0.36 0.02 0.00 0.00 176.35 175.80 1dkt s PHE 69 N 2.79 2.95 0.14 0.29 0.40 -0.03 -2.77 117.98 121.75 1dkt s PHE 69 Ca 0.26 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 56.16 1dkt s PHE 69 Cb -0.14 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.56 1dkt s PHE 69 CO 0.15 0.13 0.38 0.50 0.70 0.00 0.00 175.22 177.08 1dkt s ARG 70 N -4.04 1.11 -0.12 0.44 3.52 -0.91 -2.74 118.95 116.21 1dkt s ARG 70 Ca 0.42 -0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 54.90 1dkt s ARG 70 Cb -0.07 0.45 0.07 0.00 -1.56 0.00 0.00 34.95 33.84 1dkt s ARG 70 CO 0.28 -0.43 0.66 0.50 -0.81 0.00 0.00 175.30 175.49 1dkt s ARG 71 N -3.85 0.93 0.27 5.12 3.52 -0.88 -0.34 118.95 123.72 1dkt s ARG 71 Ca 0.07 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.86 1dkt s ARG 71 Cb 0.02 0.44 -0.09 0.00 -1.56 0.00 0.00 34.95 33.76 1dkt s ARG 71 CO -0.08 -0.23 1.00 -2.14 -0.81 0.00 0.00 175.30 173.04 1dkt s PRO 72 N -0.62 4.72 -0.18 5.12 0.02 -1.26 -0.40 135.00 142.41 1dkt s PRO 72 Ca -0.07 1.59 -0.35 0.00 0.02 0.00 0.00 61.00 62.18 1dkt s PRO 72 Cb -0.02 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.21 1dkt s PRO 72 CO 0.06 0.36 1.93 1.28 -0.33 0.00 0.00 177.00 180.30 1dkt n LEU 73 N 1.22 3.04 -2.75 -5.54 4.77 -0.43 -4.69 117.00 112.62 1dkt n LEU 73 Ca -0.01 0.86 -0.34 0.00 -0.03 0.00 0.00 56.01 56.50 1dkt n LEU 73 Cb 0.47 -1.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.15 1dkt n LEU 73 CO 0.51 -0.26 1.21 -2.65 -1.33 0.00 0.00 177.39 174.87 1dkt n PRO 74 N 6.79 0.00 0.00 3.23 -0.02 -1.26 -5.04 135.00 138.69 1dkt n PRO 74 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1dkt n PRO 74 Cb 0.26 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1dkt n PRO 74 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11