#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhq s LYS 7 N 0.00 3.70 -0.04 -0.67 -0.14 -1.26 -5.10 119.74 116.23 3hhq s LYS 7 Ca 0.00 0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.68 3hhq s LYS 7 Cb 0.00 -2.81 0.03 0.00 -1.68 0.00 0.00 37.83 33.37 3hhq s LYS 7 CO 0.00 0.43 -0.01 0.08 -0.76 0.00 0.00 175.35 175.10 3hhq s VAL 8 N -1.67 0.30 -0.37 3.17 1.01 -1.26 -5.08 120.40 116.50 3hhq s VAL 8 Ca 0.42 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 3hhq s VAL 8 Cb -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3hhq s VAL 8 CO 0.23 0.19 0.26 -0.22 0.00 0.00 0.00 175.10 175.55 3hhq s LEU 9 N 1.19 4.78 -0.18 3.92 2.96 -1.26 -3.59 118.68 126.51 3hhq s LEU 9 Ca -0.07 -0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 53.01 3hhq s LEU 9 Cb -0.13 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3hhq s LEU 9 CO -0.02 -0.34 0.33 -0.54 -1.32 0.00 0.00 176.35 174.46 3hhq s LYS 10 N 1.69 4.23 -0.04 1.98 1.02 -0.93 -4.98 119.74 122.70 3hhq s LYS 10 Ca 0.05 0.13 0.06 0.00 0.02 0.00 0.00 55.97 56.22 3hhq s LYS 10 Cb -0.18 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 3hhq s LYS 10 CO 0.10 0.13 -0.21 0.42 -0.92 0.00 0.00 175.35 174.87 3hhq s ILE 11 N 0.79 2.47 -0.17 2.17 -1.09 -1.26 -1.55 121.20 122.55 3hhq s ILE 11 Ca 0.17 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 3hhq s ILE 11 Cb -0.14 -1.92 0.01 0.00 -1.58 0.00 0.00 42.46 38.84 3hhq s ILE 11 CO 0.06 0.58 -0.18 -1.58 -1.23 0.00 0.00 174.94 172.58 3hhq s GLN 12 N -0.50 3.06 -0.41 2.79 0.74 0.18 -5.00 119.66 120.52 3hhq s GLN 12 Ca 0.06 -0.81 -0.24 0.00 0.05 0.00 0.00 55.36 54.43 3hhq s GLN 12 Cb -0.11 -2.58 0.02 0.00 1.10 0.00 0.00 33.01 31.43 3hhq s GLN 12 CO 0.01 -0.13 0.81 -0.51 -0.55 0.00 0.00 175.29 174.93 3hhq s LEU 13 N 1.12 4.14 0.16 3.68 1.43 -1.26 -1.92 118.68 126.03 3hhq s LEU 13 Ca 0.00 0.17 0.25 0.00 -1.03 0.00 0.00 54.13 53.52 3hhq s LEU 13 Cb -0.14 -3.04 0.48 0.00 0.03 0.00 0.00 46.19 43.52 3hhq s LEU 13 CO -0.07 -0.85 1.47 0.03 0.23 0.00 0.00 176.35 177.15 3hhq h ARG 14 N 8.75 0.00 -3.18 1.70 3.08 -1.23 -3.47 114.38 120.03 3hhq h ARG 14 Ca -0.25 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.84 3hhq h ARG 14 Cb 1.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.08 3hhq h ARG 14 CO 0.95 0.00 0.14 -1.54 -1.07 0.00 0.00 179.97 178.45 3hhq s SER 15 N -4.41 -0.21 0.29 7.04 1.04 -1.25 -5.03 113.70 111.16 3hhq s SER 15 Ca 0.07 -0.70 0.25 0.00 0.48 0.00 0.00 55.95 56.05 3hhq s SER 15 Cb 0.13 0.69 1.02 0.00 0.10 0.00 0.00 66.02 67.96 3hhq s SER 15 CO 0.68 -1.30 1.74 0.00 0.98 0.00 0.00 173.24 175.35 3hhq h ALA 16 N 2.07 1.00 0.00 5.32 0.00 -1.95 -2.50 119.26 123.19 3hhq h ALA 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hhq h ALA 16 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hhq h ALA 16 CO 0.26 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.94 3hhq n SER 17 N -2.33 0.41 -4.84 0.00 7.64 -1.26 -4.90 113.62 108.33 3hhq n SER 17 Ca 0.02 0.56 -0.32 0.00 1.01 0.00 0.00 58.87 60.14 3hhq n SER 17 Cb 0.24 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3hhq n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhq s ALA 18 N -3.09 2.96 -0.06 -0.43 0.00 -0.95 -4.46 121.76 115.74 3hhq s ALA 18 Ca 0.10 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.19 3hhq s ALA 18 Cb 0.13 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3hhq s ALA 18 CO 0.49 -0.66 -0.15 0.99 0.00 0.00 0.00 175.76 176.43 3hhq s THR 19 N -2.87 1.30 0.18 0.00 2.01 -1.26 -5.01 115.64 109.98 3hhq s THR 19 Ca 0.58 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.66 3hhq s THR 19 Cb -0.12 -1.16 -0.10 0.00 0.01 0.00 0.00 72.50 71.13 3hhq s THR 19 CO 0.44 0.39 1.57 -0.69 -0.69 0.00 0.00 174.62 175.64 3hhq s VAL 20 N 0.42 2.56 0.76 3.82 1.01 -1.26 -4.74 120.40 122.97 3hhq s VAL 20 Ca -0.11 0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 3hhq s VAL 20 Cb -0.14 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.01 3hhq s VAL 20 CO 0.04 0.04 1.01 -2.65 0.00 0.00 0.00 175.10 173.53 3hhq n PRO 21 N 3.81 0.36 -4.83 2.72 -0.02 -1.26 -5.00 135.00 130.78 3hhq n PRO 21 Ca 0.13 0.19 -0.27 0.00 -2.02 0.00 0.00 63.50 61.53 3hhq n PRO 21 Cb 0.38 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 3hhq n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hhq s THR 22 N -1.94 1.78 -0.05 3.45 -4.23 -1.15 -4.83 115.64 108.67 3hhq s THR 22 Ca 0.72 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.00 3hhq s THR 22 Cb -0.32 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.01 3hhq s THR 22 CO 0.51 0.32 0.20 -0.75 -0.54 0.00 0.00 174.62 174.36 3hhq s LYS 23 N -0.99 0.35 0.00 3.99 2.20 -1.26 0.56 119.74 124.59 3hhq s LYS 23 Ca 0.09 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3hhq s LYS 23 Cb -0.09 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3hhq s LYS 23 CO 0.01 -0.07 0.00 0.45 -0.36 0.00 0.00 175.35 175.38 3hhq n SER 25 N 2.36 0.00 0.22 1.43 2.88 -1.26 -5.04 113.62 114.21 3hhq n SER 25 Ca -0.16 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.47 3hhq n SER 25 Cb 0.57 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.47 3hhq n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hhq h ALA 26 N 0.00 1.02 -0.42 -1.46 0.00 -2.04 -3.11 119.26 113.25 3hhq h ALA 26 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hhq h ALA 26 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hhq h ALA 26 CO 0.00 0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.81 3hhq n THR 27 N -3.42 1.70 -2.50 0.00 -2.24 -1.26 -4.95 114.28 101.60 3hhq n THR 27 Ca 0.00 -1.35 -0.32 0.00 -2.27 0.00 0.00 64.05 60.12 3hhq n THR 27 Cb 0.44 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hhq s ALA 28 N -1.87 3.15 0.03 6.98 0.00 -1.18 -4.98 121.76 123.90 3hhq s ALA 28 Ca 0.39 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 3hhq s ALA 28 Cb 0.26 -3.00 -0.29 0.00 0.00 0.00 0.00 23.12 20.09 3hhq s ALA 28 CO 0.17 -0.19 0.98 0.00 0.00 0.00 0.00 175.76 176.72 3hhq h ALA 29 N 0.96 0.17 -1.74 0.00 0.00 -1.92 -3.49 119.26 113.24 3hhq h ALA 29 Ca -0.47 -1.00 -0.61 0.00 0.00 0.00 0.00 54.91 52.84 3hhq h ALA 29 Cb 1.19 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 3hhq h ALA 29 CO 0.62 1.04 -0.61 0.20 0.00 0.00 0.00 179.25 180.50 3hhq s GLY 30 N -4.81 2.41 -0.11 0.00 0.00 -1.26 -4.49 107.32 99.06 3hhq s GLY 30 Ca -0.07 -2.25 0.01 0.00 0.00 0.00 0.00 44.72 42.41 3hhq s GLY 30 CO 0.87 -2.05 -0.13 -0.19 0.00 0.00 0.00 173.10 171.60 3hhq s TYR 31 N -2.78 2.80 0.32 1.90 1.51 -0.08 -4.63 117.35 116.38 3hhq s TYR 31 Ca 0.35 -0.50 -0.28 0.00 -1.01 0.00 0.00 57.07 55.63 3hhq s TYR 31 Cb 0.09 -1.79 -0.10 0.00 -0.11 0.00 0.00 41.96 40.05 3hhq s TYR 31 CO 0.17 -0.10 1.15 -0.51 -1.11 0.00 0.00 175.55 175.16 3hhq s ASP 32 N 0.06 7.01 -0.10 2.29 1.01 0.19 0.15 116.67 127.28 3hhq s ASP 32 Ca -0.05 2.36 0.02 0.00 0.71 0.00 0.00 52.55 55.59 3hhq s ASP 32 Cb -0.14 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.15 3hhq s ASP 32 CO 0.04 -0.33 -0.17 -0.63 0.21 0.00 0.00 175.17 174.29 3hhq s ILE 33 N -1.23 2.72 0.01 0.77 -1.09 -0.69 -2.95 121.20 118.74 3hhq s ILE 33 Ca 0.48 -0.80 0.06 0.00 -2.23 0.00 0.00 60.65 58.16 3hhq s ILE 33 Cb -0.33 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.43 3hhq s ILE 33 CO 0.43 0.55 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.21 3hhq s TYR 34 N 0.13 2.63 0.28 3.97 2.02 -1.26 -1.02 117.35 124.10 3hhq s TYR 34 Ca -0.09 -0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 3hhq s TYR 34 Cb -0.15 -1.52 -0.09 0.00 -0.40 0.00 0.00 41.96 39.79 3hhq s TYR 34 CO 0.05 0.24 1.15 0.00 -1.57 0.00 0.00 175.55 175.43 3hhq s ALA 35 N -0.88 3.43 -1.37 3.71 0.00 0.14 -4.48 121.76 122.32 3hhq s ALA 35 Ca 0.14 0.98 0.18 0.00 0.00 0.00 0.00 51.96 53.26 3hhq s ALA 35 Cb -0.11 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 3hhq s ALA 35 CO 0.04 -0.28 0.87 -1.13 0.00 0.00 0.00 175.76 175.26 3hhq n SER 36 N 1.31 1.43 -3.85 0.00 3.41 -0.18 0.90 113.62 116.63 3hhq n SER 36 Ca -0.00 -1.21 -0.12 0.00 -0.26 0.00 0.00 58.87 57.28 3hhq n SER 36 Cb 0.44 0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 64.95 3hhq n SER 36 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hhq s GLN 37 N -2.31 0.35 0.59 4.33 -0.21 -1.25 -4.80 119.66 116.37 3hhq s GLN 37 Ca 0.12 -0.12 -0.19 0.00 0.02 0.00 0.00 55.36 55.18 3hhq s GLN 37 Cb 0.14 0.15 -0.03 0.00 1.00 0.00 0.00 33.01 34.27 3hhq s GLN 37 CO 0.56 -0.07 1.27 -0.51 -2.12 0.00 0.00 175.29 174.42 3hhq s ASP 38 N -0.73 5.06 -0.21 5.90 1.01 -1.26 -4.17 116.67 122.27 3hhq s ASP 38 Ca -0.08 2.56 -0.28 0.00 0.71 0.00 0.00 52.55 55.46 3hhq s ASP 38 Cb -0.05 -2.62 0.11 0.00 1.01 0.00 0.00 42.92 41.38 3hhq s ASP 38 CO 0.01 -1.69 0.96 -0.51 0.21 0.00 0.00 175.17 174.14 3hhq s ILE 39 N -1.45 0.00 -0.14 0.77 2.07 -0.25 -4.95 121.20 117.26 3hhq s ILE 39 Ca 0.77 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.98 3hhq s ILE 39 Cb -0.35 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.21 3hhq s ILE 39 CO 0.39 0.00 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.51 3hhq s THR 40 N -0.42 4.05 -0.38 4.00 2.01 -1.26 -1.44 115.64 122.20 3hhq s THR 40 Ca -0.00 -0.31 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 3hhq s THR 40 Cb -0.03 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.73 3hhq s THR 40 CO -0.01 0.52 0.54 -0.63 -0.69 0.00 0.00 174.62 174.35 3hhq s ILE 41 N 0.04 4.98 0.61 1.82 -1.09 -0.12 -4.85 121.20 122.58 3hhq s ILE 41 Ca 0.01 0.22 -0.16 0.00 -2.23 0.00 0.00 60.65 58.49 3hhq s ILE 41 Cb -0.13 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 3hhq s ILE 41 CO 0.02 -0.32 1.09 -2.16 -1.23 0.00 0.00 174.94 172.34 3hhq s PRO 42 N 2.46 3.14 0.17 2.79 0.04 -1.26 -0.74 135.00 141.61 3hhq s PRO 42 Ca 0.19 1.34 -0.34 0.00 0.04 0.00 0.00 61.00 62.23 3hhq s PRO 42 Cb -0.15 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 3hhq s PRO 42 CO 0.15 -0.97 1.61 0.00 0.04 0.00 0.00 177.00 177.83 3hhq n ALA 43 N -2.03 1.65 -2.86 8.56 0.00 -1.26 -1.69 120.51 122.87 3hhq n ALA 43 Ca 0.10 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.75 3hhq n ALA 43 Cb 0.52 -2.39 0.02 0.00 0.00 0.00 0.00 19.45 17.61 3hhq n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hhq n MET 44 N 3.55 -3.96 0.00 0.00 2.81 -0.08 -4.91 117.12 114.53 3hhq n MET 44 Ca 0.17 0.91 0.00 0.00 -1.81 0.00 0.00 57.70 56.97 3hhq n MET 44 Cb 0.30 -5.72 0.00 0.00 -0.71 0.00 0.00 33.22 27.09 3hhq n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hhq n GLY 45 N -1.37 5.13 3.60 3.03 0.00 -0.68 -4.96 105.19 109.95 3hhq n GLY 45 Ca -0.15 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 3hhq n GLY 45 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hhq s GLN 46 N 1.17 1.57 0.05 1.61 -2.07 -1.26 -1.03 119.66 119.70 3hhq s GLN 46 Ca 0.00 -1.24 -0.27 0.00 -1.82 0.00 0.00 55.36 52.03 3hhq s GLN 46 Cb 0.00 0.48 0.09 0.00 -1.09 0.00 0.00 33.01 32.49 3hhq s GLN 46 CO 0.00 -0.66 0.82 0.20 -1.32 0.00 0.00 175.29 174.34 3hhq s GLY 47 N -3.02 -0.47 -0.21 2.60 0.00 -0.75 -4.45 107.32 101.03 3hhq s GLY 47 Ca 0.22 0.78 -0.04 0.00 0.00 0.00 0.00 44.72 45.68 3hhq s GLY 47 CO 0.09 0.26 -0.03 1.06 0.00 0.00 0.00 173.10 174.48 3hhq s MET 48 N -3.30 3.45 -0.10 2.90 -1.94 -1.26 -1.64 119.30 117.41 3hhq s MET 48 Ca 0.05 -0.59 -0.20 0.00 -1.71 0.00 0.00 55.69 53.23 3hhq s MET 48 Cb -0.01 -3.03 -0.04 0.00 2.01 0.00 0.00 34.83 33.76 3hhq s MET 48 CO -0.09 -0.13 0.57 0.08 -0.01 0.00 0.00 175.02 175.44 3hhq s VAL 49 N 1.34 5.12 0.19 -6.03 1.01 0.61 -4.90 120.40 117.74 3hhq s VAL 49 Ca 0.04 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.89 3hhq s VAL 49 Cb -0.14 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 3hhq s VAL 49 CO -0.01 0.28 0.92 -0.44 0.00 0.00 0.00 175.10 175.85 3hhq s SER 50 N 0.73 7.57 -0.00 3.32 0.01 -1.26 -1.41 113.70 122.66 3hhq s SER 50 Ca 0.31 1.86 0.03 0.00 1.31 0.00 0.00 55.95 59.45 3hhq s SER 50 Cb -0.16 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.44 3hhq s SER 50 CO 0.13 0.11 0.09 0.35 0.41 0.00 0.00 173.24 174.34 3hhq n THR 51 N 1.84 0.00 -3.15 1.44 -2.24 -1.26 -1.02 114.28 109.90 3hhq n THR 51 Ca -0.02 -0.18 -0.18 0.00 -2.27 0.00 0.00 64.05 61.41 3hhq n THR 51 Cb 0.48 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.29 3hhq n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hhq n ASP 52 N -1.45 -2.66 -4.41 3.42 8.00 -1.26 -4.41 116.55 113.78 3hhq n ASP 52 Ca -0.00 -0.17 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 3hhq n ASP 52 Cb 0.07 -2.28 -0.10 0.00 -0.02 0.00 0.00 41.12 38.79 3hhq n ASP 52 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hhq s ILE 53 N -2.66 2.17 0.11 0.53 -4.36 -1.26 -0.63 121.20 115.10 3hhq s ILE 53 Ca 0.29 -2.28 0.06 0.00 -0.26 0.00 0.00 60.65 58.46 3hhq s ILE 53 Cb -0.16 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.35 3hhq s ILE 53 CO 0.35 -0.44 -0.16 -0.44 0.24 0.00 0.00 174.94 174.49 3hhq s SER 54 N -3.32 2.06 0.15 4.36 0.01 -0.81 -1.38 113.70 114.77 3hhq s SER 54 Ca 0.26 -0.74 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 3hhq s SER 54 Cb -0.04 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 3hhq s SER 54 CO 0.11 -0.08 0.24 0.72 0.41 0.00 0.00 173.24 174.64 3hhq s PHE 55 N -1.73 0.42 -0.16 2.43 -0.71 -1.26 -0.65 117.98 116.32 3hhq s PHE 55 Ca 0.06 -0.80 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 3hhq s PHE 55 Cb -0.07 -0.11 0.03 0.00 -1.21 0.00 0.00 43.02 41.66 3hhq s PHE 55 CO 0.03 -0.66 -0.09 0.99 -1.34 0.00 0.00 175.22 174.15 3hhq s THR 56 N -3.96 1.33 0.62 -4.49 2.01 -0.60 -4.72 115.64 105.84 3hhq s THR 56 Ca 0.16 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 3hhq s THR 56 Cb 0.04 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 3hhq s THR 56 CO -0.02 0.26 1.03 0.68 -0.69 0.00 0.00 174.62 175.89 3hhq s VAL 57 N 1.56 4.43 0.78 3.82 -7.23 -1.26 -2.18 120.40 120.31 3hhq s VAL 57 Ca 0.02 0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 60.92 3hhq s VAL 57 Cb -0.14 -3.68 0.06 0.00 0.56 0.00 0.00 36.38 33.17 3hhq s VAL 57 CO -0.09 -0.95 1.15 -2.65 -0.31 0.00 0.00 175.10 172.26 3hhq n PRO 58 N -2.61 0.34 -1.58 4.82 -0.02 -1.24 -4.93 135.00 129.79 3hhq n PRO 58 Ca 0.07 0.19 -0.39 0.00 -2.02 0.00 0.00 63.50 61.34 3hhq n PRO 58 Cb 0.54 -2.39 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3hhq n PRO 58 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hhq n VAL 59 N -3.00 2.84 -0.87 -1.45 0.31 -1.26 -2.99 118.33 111.90 3hhq n VAL 59 Ca 0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3hhq n VAL 59 Cb 0.50 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 3hhq n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hhq n GLY 60 N 1.36 0.78 3.25 2.92 0.00 -1.26 -5.03 105.19 107.20 3hhq n GLY 60 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3hhq n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hhq s THR 61 N -3.01 0.51 0.22 2.61 -4.23 -1.16 -1.54 115.64 109.05 3hhq s THR 61 Ca 0.00 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3hhq s THR 61 Cb 0.00 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 3hhq s THR 61 CO 0.00 -0.29 -0.10 -0.72 -0.54 0.00 0.00 174.62 172.97 3hhq s TYR 62 N -3.78 1.71 -0.31 3.99 1.13 -0.95 -4.56 117.35 114.58 3hhq s TYR 62 Ca 0.29 -0.67 -0.20 0.00 -1.41 0.00 0.00 57.07 55.08 3hhq s TYR 62 Cb 0.07 -0.88 -0.01 0.00 -1.10 0.00 0.00 41.96 40.04 3hhq s TYR 62 CO 0.07 0.26 0.63 0.20 -2.51 0.00 0.00 175.55 174.20 3hhq s GLY 63 N -3.33 1.78 -0.31 5.49 0.00 -0.58 -2.18 107.32 108.18 3hhq s GLY 63 Ca 0.24 -0.64 -0.15 0.00 0.00 0.00 0.00 44.72 44.17 3hhq s GLY 63 CO 0.08 1.47 0.35 -1.60 0.00 0.00 0.00 173.10 173.40 3hhq s ARG 64 N 2.62 3.76 -0.36 2.90 3.52 0.16 -1.50 118.95 130.03 3hhq s ARG 64 Ca 0.25 -0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 55.32 3hhq s ARG 64 Cb -0.15 -3.74 0.01 0.00 -1.56 0.00 0.00 34.95 29.51 3hhq s ARG 64 CO 0.12 -0.41 1.35 0.42 -0.81 0.00 0.00 175.30 175.97 3hhq s ILE 65 N 2.02 4.02 0.25 4.11 -1.09 0.41 -1.09 121.20 129.84 3hhq s ILE 65 Ca 0.13 1.10 0.11 0.00 -2.23 0.00 0.00 60.65 59.76 3hhq s ILE 65 Cb -0.16 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 3hhq s ILE 65 CO 0.11 -0.64 -0.18 0.00 -1.23 0.00 0.00 174.94 172.99 3hhq s ALA 66 N 4.91 2.75 0.48 9.38 0.00 0.54 -4.64 121.76 135.17 3hhq s ALA 66 Ca 0.58 -1.76 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 3hhq s ALA 66 Cb -0.15 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.53 3hhq s ALA 66 CO 0.28 0.33 1.07 -1.25 0.00 0.00 0.00 175.76 176.20 3hhq s PRO 67 N -3.24 3.75 0.12 0.00 0.04 -1.26 -1.15 135.00 133.25 3hhq s PRO 67 Ca 0.27 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 3hhq s PRO 67 Cb -0.06 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 3hhq s PRO 67 CO 0.14 -0.50 1.37 1.03 0.04 0.00 0.00 177.00 179.08 3hhq s ARG 68 N -3.09 4.33 0.11 4.56 1.81 -1.26 -4.64 118.95 120.77 3hhq s ARG 68 Ca 0.67 2.06 -0.17 0.00 -1.72 0.00 0.00 55.73 56.57 3hhq s ARG 68 Cb -0.20 -3.25 -0.04 0.00 -0.45 0.00 0.00 34.95 31.01 3hhq s ARG 68 CO 0.24 -0.41 1.59 0.77 -0.68 0.00 0.00 175.30 176.81 3hhq h SER 69 N 6.63 0.52 -0.18 0.23 0.02 -1.96 -2.72 113.55 116.09 3hhq h SER 69 Ca -0.42 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.22 3hhq h SER 69 Cb 1.21 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 3hhq h SER 69 CO 0.85 0.64 -0.06 1.23 -1.14 0.00 0.00 176.83 178.35 3hhq h GLY 70 N 0.38 0.54 1.48 -3.77 0.00 -1.99 -2.35 103.07 97.36 3hhq h GLY 70 Ca 0.10 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 46.89 3hhq h GLY 70 CO 0.00 0.32 -0.78 1.41 0.00 0.00 0.00 176.54 177.50 3hhq h LEU 71 N 0.48 0.61 -0.15 3.11 3.38 -1.91 -1.70 115.31 119.12 3hhq h LEU 71 Ca 0.10 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.70 3hhq h LEU 71 Cb 0.40 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3hhq h LEU 71 CO 0.02 1.18 -0.33 0.00 0.09 0.00 0.00 178.44 179.39 3hhq h ALA 72 N 0.81 -0.38 -0.26 1.53 0.00 -1.20 -0.18 119.26 119.58 3hhq h ALA 72 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hhq h ALA 72 Cb 1.37 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 3hhq h ALA 72 CO 0.14 -0.80 0.14 0.28 0.00 0.00 0.00 179.25 179.01 3hhq h VAL 73 N -0.39 1.01 0.00 0.00 2.07 -1.40 -2.22 116.25 115.31 3hhq h VAL 73 Ca 0.10 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hhq h VAL 73 Cb 0.55 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3hhq h VAL 73 CO -0.37 0.05 -1.31 2.29 0.02 0.00 0.00 177.57 178.25 3hhq n LYS 74 N -4.96 0.82 0.00 1.57 2.85 -0.64 -4.49 118.16 113.31 3hhq n LYS 74 Ca -0.02 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 3hhq n LYS 74 Cb 0.05 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 3hhq n LYS 74 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3hhq n ASN 75 N -1.76 0.35 -0.61 -5.58 3.02 -0.10 -5.02 115.26 105.55 3hhq n ASN 75 Ca 0.00 -0.66 -0.06 0.00 -0.03 0.00 0.00 54.58 53.84 3hhq n ASN 75 Cb 0.37 0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 39.99 3hhq n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hhq n GLY 76 N 0.45 0.23 3.67 7.41 0.00 -0.84 -4.14 105.19 111.98 3hhq n GLY 76 Ca 0.00 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 3hhq n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhq s ILE 77 N -2.27 5.10 0.01 -0.61 -1.09 -1.15 -0.91 121.20 120.28 3hhq s ILE 77 Ca 0.00 1.00 0.07 0.00 -2.23 0.00 0.00 60.65 59.49 3hhq s ILE 77 Cb 0.00 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 3hhq s ILE 77 CO 0.00 0.18 -0.22 -1.58 -1.23 0.00 0.00 174.94 172.09 3hhq s GLN 78 N 1.58 1.63 0.29 2.79 2.00 -0.45 -3.67 119.66 123.83 3hhq s GLN 78 Ca 0.25 -0.86 -0.24 0.00 -2.00 0.00 0.00 55.36 52.51 3hhq s GLN 78 Cb -0.15 -1.65 -0.09 0.00 0.80 0.00 0.00 33.01 31.91 3hhq s GLN 78 CO 0.10 0.44 0.88 -0.08 -0.50 0.00 0.00 175.29 176.13 3hhq s THR 79 N -0.64 4.31 0.44 -0.34 -1.32 -1.26 -0.21 115.64 116.63 3hhq s THR 79 Ca 0.08 1.68 0.06 0.00 -1.21 0.00 0.00 61.69 62.31 3hhq s THR 79 Cb -0.09 -3.98 -0.05 0.00 -1.51 0.00 0.00 72.50 66.88 3hhq s THR 79 CO 0.00 0.17 0.11 -0.83 -2.21 0.00 0.00 174.62 171.87 3hhq s GLY 80 N -1.61 2.52 0.00 6.08 0.00 0.61 -4.85 107.32 110.06 3hhq s GLY 80 Ca 0.48 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.41 3hhq s GLY 80 CO 0.23 -2.03 0.00 0.00 0.00 0.00 0.00 173.10 171.31 3hhq n ALA 81 N -1.21 0.00 0.00 3.20 0.00 -1.26 -4.37 120.51 116.87 3hhq n ALA 81 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hhq n ALA 81 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3hhq n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhq n GLY 82 N 0.00 0.61 3.45 0.00 0.00 -1.26 -4.91 105.19 103.08 3hhq n GLY 82 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3hhq n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhq s VAL 83 N -2.00 4.94 -0.28 1.61 1.01 -1.26 -0.44 120.40 123.97 3hhq s VAL 83 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3hhq s VAL 83 Cb 0.00 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.18 3hhq s VAL 83 CO 0.00 -0.70 -0.00 -0.69 0.00 0.00 0.00 175.10 173.70 3hhq s VAL 84 N 2.48 3.14 0.62 2.92 1.01 -0.57 -5.01 120.40 125.00 3hhq s VAL 84 Ca 0.14 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 3hhq s VAL 84 Cb -0.19 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 3hhq s VAL 84 CO 0.12 0.03 1.09 -1.81 0.00 0.00 0.00 175.10 174.54 3hhq s ASP 85 N 1.33 5.42 0.55 3.32 -0.00 -1.26 -1.52 116.67 124.50 3hhq s ASP 85 Ca -0.02 1.96 0.22 0.00 -0.00 0.00 0.00 52.55 54.71 3hhq s ASP 85 Cb -0.18 -2.55 1.49 0.00 -0.00 0.00 0.00 42.92 41.68 3hhq s ASP 85 CO -0.02 -1.42 2.19 -0.09 -0.00 0.00 0.00 175.17 175.84 3hhq h ARG 86 N 0.34 0.00 -0.09 8.23 2.43 -1.92 -1.50 114.38 121.87 3hhq h ARG 86 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3hhq h ARG 86 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3hhq h ARG 86 CO 0.56 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.62 3hhq n ASP 87 N -4.25 1.51 -4.68 -3.80 3.85 -1.26 -4.45 116.55 103.46 3hhq n ASP 87 Ca -0.03 -1.59 -0.43 0.00 -0.71 0.00 0.00 54.79 52.04 3hhq n ASP 87 Cb 0.09 -0.05 -0.02 0.00 -1.35 0.00 0.00 41.12 39.78 3hhq n ASP 87 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3hhq s TYR 88 N -1.90 3.42 0.00 2.11 5.04 -0.57 -4.91 117.35 120.55 3hhq s TYR 88 Ca 0.35 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.48 3hhq s TYR 88 Cb 0.19 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 39.25 3hhq s TYR 88 CO 0.30 -0.49 0.63 0.25 -1.34 0.00 0.00 175.55 174.90 3hhq n THR 89 N 4.68 0.31 -1.32 4.34 -2.24 -1.26 -4.53 114.28 114.25 3hhq n THR 89 Ca 0.10 -0.62 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 3hhq n THR 89 Cb 0.48 0.89 0.17 0.00 -2.10 0.00 0.00 70.33 69.77 3hhq n THR 89 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hhq s GLY 90 N -0.31 1.57 0.12 3.38 0.00 -1.26 -4.90 107.32 105.92 3hhq s GLY 90 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 44.72 43.90 3hhq s GLY 90 CO 0.00 0.11 1.63 1.85 0.00 0.00 0.00 173.10 176.69 3hhq s GLU 91 N -5.15 4.20 -0.67 2.90 2.12 -1.26 -4.51 118.70 116.33 3hhq s GLU 91 Ca 0.65 2.37 -0.27 0.00 0.36 0.00 0.00 54.97 58.09 3hhq s GLU 91 Cb -0.16 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.88 3hhq s GLU 91 CO 0.56 -0.68 1.39 0.08 -0.54 0.00 0.00 175.26 176.06 3hhq s VAL 92 N 1.89 3.71 0.12 3.70 1.01 -0.48 -5.00 120.40 125.35 3hhq s VAL 92 Ca 0.73 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 63.10 3hhq s VAL 92 Cb -0.42 -4.66 -0.06 0.00 0.00 0.00 0.00 36.38 31.24 3hhq s VAL 92 CO 0.32 -1.54 0.41 -0.54 0.00 0.00 0.00 175.10 173.76 3hhq s LYS 93 N 5.82 3.71 -0.31 2.72 1.02 -1.26 -4.02 119.74 127.42 3hhq s LYS 93 Ca 0.44 0.09 -0.11 0.00 0.02 0.00 0.00 55.97 56.41 3hhq s LYS 93 Cb -0.09 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 3hhq s LYS 93 CO 0.19 0.49 0.19 0.08 -0.92 0.00 0.00 175.35 175.38 3hhq s VAL 94 N -1.55 4.99 -0.23 3.17 1.01 -0.50 -4.91 120.40 122.38 3hhq s VAL 94 Ca 0.38 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3hhq s VAL 94 Cb -0.13 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3hhq s VAL 94 CO 0.21 0.10 1.08 -0.69 0.00 0.00 0.00 175.10 175.80 3hhq s VAL 95 N 1.69 4.60 -0.11 2.92 1.01 -1.26 -0.29 120.40 128.96 3hhq s VAL 95 Ca 0.06 1.92 0.03 0.00 0.00 0.00 0.00 61.98 63.99 3hhq s VAL 95 Cb -0.17 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3hhq s VAL 95 CO 0.09 -0.22 -0.22 -0.76 0.00 0.00 0.00 175.10 173.99 3hhq s LEU 96 N 3.31 2.17 -0.18 3.92 1.43 -0.65 -0.29 118.68 128.40 3hhq s LEU 96 Ca 0.46 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 3hhq s LEU 96 Cb -0.15 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3hhq s LEU 96 CO 0.09 0.14 0.33 -0.36 0.23 0.00 0.00 176.35 176.77 3hhq s PHE 97 N 0.47 3.41 -0.40 0.29 0.40 0.71 -1.81 117.98 121.05 3hhq s PHE 97 Ca -0.15 0.58 -0.14 0.00 -0.60 0.00 0.00 56.93 56.61 3hhq s PHE 97 Cb -0.17 -2.41 0.02 0.00 0.51 0.00 0.00 43.02 40.96 3hhq s PHE 97 CO 0.06 0.12 0.28 1.21 0.70 0.00 0.00 175.22 177.59 3hhq s ASN 98 N 0.76 6.04 -0.03 1.36 3.84 -0.19 -1.34 114.94 125.39 3hhq s ASN 98 Ca 0.17 -0.89 0.15 0.00 0.21 0.00 0.00 52.86 52.50 3hhq s ASN 98 Cb -0.14 -2.13 0.49 0.00 -0.55 0.00 0.00 41.25 38.91 3hhq s ASN 98 CO 0.06 -0.43 1.39 1.41 -2.79 0.00 0.00 177.10 176.74 3hhq n HIS 99 N 5.13 0.83 -3.01 0.43 8.25 -0.09 -0.90 115.22 125.86 3hhq n HIS 99 Ca -0.11 -0.38 -0.20 0.00 -0.26 0.00 0.00 57.72 56.77 3hhq n HIS 99 Cb 0.47 -0.06 0.06 0.00 1.12 0.00 0.00 29.99 31.58 3hhq n HIS 99 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hhq s SER 100 N -0.93 5.08 0.00 0.41 1.04 -1.26 -4.79 113.70 113.25 3hhq s SER 100 Ca 0.36 -0.80 0.25 0.00 0.48 0.00 0.00 55.95 56.24 3hhq s SER 100 Cb 0.20 0.24 0.61 0.00 0.10 0.00 0.00 66.02 67.17 3hhq s SER 100 CO 0.22 -1.35 1.49 0.00 0.98 0.00 0.00 173.24 174.59 3hhq n GLN 101 N -2.26 2.04 -4.28 4.02 1.13 -1.26 -1.99 117.38 114.77 3hhq n GLN 101 Ca 0.15 -1.53 -0.34 0.00 -1.94 0.00 0.00 57.00 53.35 3hhq n GLN 101 Cb 0.61 -1.46 -0.11 0.00 0.11 0.00 0.00 30.24 29.39 3hhq n GLN 101 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hhq s ARG 102 N -1.88 3.69 0.31 -1.09 0.52 -1.26 -4.84 118.95 114.40 3hhq s ARG 102 Ca 0.34 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.81 3hhq s ARG 102 Cb 0.20 -2.99 -0.13 0.00 0.52 0.00 0.00 34.95 32.56 3hhq s ARG 102 CO 0.31 0.31 1.26 -0.25 0.02 0.00 0.00 175.30 176.94 3hhq n ASP 103 N 3.37 2.49 -4.35 0.23 10.43 -1.26 -4.26 116.55 123.19 3hhq n ASP 103 Ca -0.17 1.19 -0.37 0.00 2.57 0.00 0.00 54.79 58.01 3hhq n ASP 103 Cb 0.52 -1.44 -0.13 0.00 1.84 0.00 0.00 41.12 41.92 3hhq n ASP 103 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3hhq s PHE 104 N -0.89 3.12 -0.16 1.24 2.19 0.08 -4.93 117.98 118.64 3hhq s PHE 104 Ca 0.58 -0.94 -0.19 0.00 0.33 0.00 0.00 56.93 56.72 3hhq s PHE 104 Cb -0.61 -2.23 -0.04 0.00 -1.31 0.00 0.00 43.02 38.83 3hhq s PHE 104 CO 0.59 -0.56 0.52 0.00 1.83 0.00 0.00 175.22 177.60 3hhq s ALA 105 N 1.50 3.50 -0.12 11.12 0.00 -1.26 -0.94 121.76 135.56 3hhq s ALA 105 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.74 3hhq s ALA 105 Cb -0.17 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.20 3hhq s ALA 105 CO 0.02 -0.24 -0.21 0.42 0.00 0.00 0.00 175.76 175.75 3hhq s ILE 106 N 1.18 2.29 0.14 0.00 1.01 -0.52 -5.02 121.20 120.27 3hhq s ILE 106 Ca 0.26 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3hhq s ILE 106 Cb -0.15 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3hhq s ILE 106 CO 0.10 0.54 0.04 -0.54 0.00 0.00 0.00 174.94 175.08 3hhq s LYS 107 N 0.56 2.60 0.18 2.79 -0.14 -1.26 -1.09 119.74 123.38 3hhq s LYS 107 Ca -0.12 -0.93 -0.33 0.00 -1.36 0.00 0.00 55.97 53.22 3hhq s LYS 107 Cb -0.17 -2.51 -0.13 0.00 -1.68 0.00 0.00 37.83 33.34 3hhq s LYS 107 CO 0.04 0.50 1.57 1.17 -0.76 0.00 0.00 175.35 177.87 3hhq n LYS 108 N 0.10 2.23 0.00 1.68 4.81 -1.26 -1.41 118.16 124.31 3hhq n LYS 108 Ca -0.10 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 3hhq n LYS 108 Cb 0.54 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.02 3hhq n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hhq n GLY 109 N 3.26 1.77 3.77 3.14 0.00 0.26 -4.96 105.19 112.43 3hhq n GLY 109 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3hhq n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhq s ASP 110 N -1.56 6.92 -0.13 1.61 1.01 -0.50 -4.71 116.67 119.32 3hhq s ASP 110 Ca 0.00 2.48 -0.29 0.00 0.71 0.00 0.00 52.55 55.44 3hhq s ASP 110 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 3hhq s ASP 110 CO 0.00 -0.41 1.23 -0.60 0.21 0.00 0.00 175.17 175.61 3hhq s ARG 111 N -1.74 4.28 0.00 8.23 3.52 -1.26 0.28 118.95 132.26 3hhq s ARG 111 Ca 0.48 1.66 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 3hhq s ARG 111 Cb -0.35 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 3hhq s ARG 111 CO 0.46 -0.61 0.15 1.33 -0.81 0.00 0.00 175.30 175.82 3hhq n VAL 112 N 5.09 0.00 -3.81 7.11 0.24 -0.19 -4.95 118.33 121.82 3hhq n VAL 112 Ca 0.13 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 62.01 3hhq n VAL 112 Cb 0.45 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 3hhq n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhq s ALA 113 N -0.56 -2.24 0.04 2.33 0.00 -1.22 -4.59 121.76 115.52 3hhq s ALA 113 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.27 3hhq s ALA 113 Cb 0.00 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 3hhq s ALA 113 CO 0.00 -1.10 -0.08 1.14 0.00 0.00 0.00 175.76 175.73 3hhq s GLN 114 N -2.26 0.53 -0.22 0.00 -2.07 -0.30 -1.71 119.66 113.64 3hhq s GLN 114 Ca 0.21 -0.70 -0.08 0.00 -1.82 0.00 0.00 55.36 52.98 3hhq s GLN 114 Cb 0.02 -0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 31.55 3hhq s GLN 114 CO -0.01 0.07 0.09 -1.17 -1.32 0.00 0.00 175.29 172.94 3hhq s LEU 115 N -1.40 3.77 -0.03 2.60 2.96 0.12 -0.34 118.68 126.36 3hhq s LEU 115 Ca -0.08 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3hhq s LEU 115 Cb -0.09 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3hhq s LEU 115 CO 0.00 0.08 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.37 3hhq s ILE 116 N 0.94 3.28 -0.87 6.68 1.01 -0.25 -0.90 121.20 131.09 3hhq s ILE 116 Ca 0.05 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 3hhq s ILE 116 Cb -0.14 -2.34 0.22 0.00 0.01 0.00 0.00 42.46 40.21 3hhq s ILE 116 CO 0.03 0.53 0.84 -0.76 0.00 0.00 0.00 174.94 175.57 3hhq s LEU 117 N -0.96 6.55 -0.12 2.97 1.43 -1.26 -0.67 118.68 126.63 3hhq s LEU 117 Ca 0.13 -2.71 -0.28 0.00 -1.03 0.00 0.00 54.13 50.24 3hhq s LEU 117 Cb -0.11 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 3hhq s LEU 117 CO 0.03 -0.60 0.95 -1.61 0.23 0.00 0.00 176.35 175.35 3hhq s GLU 118 N 0.29 4.40 0.24 1.70 0.41 -0.93 -4.90 118.70 119.91 3hhq s GLU 118 Ca 0.21 1.28 -0.30 0.00 -0.41 0.00 0.00 54.97 55.75 3hhq s GLU 118 Cb -0.09 -3.54 -0.09 0.00 -1.78 0.00 0.00 34.13 28.63 3hhq s GLU 118 CO -0.09 -0.29 1.14 0.15 -0.49 0.00 0.00 175.26 175.68 3hhq s LYS 119 N 1.95 4.57 0.15 1.61 1.02 -1.26 -2.25 119.74 125.54 3hhq s LYS 119 Ca 0.45 1.83 -0.10 0.00 0.02 0.00 0.00 55.97 58.18 3hhq s LYS 119 Cb -0.18 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.92 3hhq s LYS 119 CO 0.17 0.08 0.28 0.96 -0.92 0.00 0.00 175.35 175.92 3hhq s ILE 120 N -0.68 0.08 -0.42 2.17 -4.36 -0.59 -4.97 121.20 112.42 3hhq s ILE 120 Ca 0.48 -1.29 -0.18 0.00 -0.26 0.00 0.00 60.65 59.39 3hhq s ILE 120 Cb -0.32 -1.71 0.02 0.00 1.25 0.00 0.00 42.46 41.70 3hhq s ILE 120 CO 0.39 -0.36 0.51 -0.69 0.24 0.00 0.00 174.94 175.04 3hhq s VAL 121 N -3.94 5.00 -2.84 8.37 1.01 -1.26 -4.71 120.40 122.03 3hhq s VAL 121 Ca 0.14 -0.15 0.23 0.00 0.00 0.00 0.00 61.98 62.20 3hhq s VAL 121 Cb 0.03 -4.09 0.22 0.00 0.00 0.00 0.00 36.38 32.54 3hhq s VAL 121 CO -0.03 -0.47 1.26 -0.90 0.00 0.00 0.00 175.10 174.97 3hhq n ASP 122 N 5.83 3.01 -1.06 3.32 3.85 -1.26 -4.51 116.55 125.73 3hhq n ASP 122 Ca -0.05 -1.97 0.04 0.00 -0.71 0.00 0.00 54.79 52.10 3hhq n ASP 122 Cb 0.48 -0.03 0.12 0.00 -1.35 0.00 0.00 41.12 40.34 3hhq n ASP 122 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3hhq n ASP 123 N 1.33 1.54 -4.79 -1.12 3.85 -1.26 -5.07 116.55 111.03 3hhq n ASP 123 Ca 0.14 -3.11 -0.35 0.00 -0.71 0.00 0.00 54.79 50.76 3hhq n ASP 123 Cb 0.58 -0.43 -0.03 0.00 -1.35 0.00 0.00 41.12 39.89 3hhq n ASP 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hhq s ALA 124 N -1.99 2.93 -0.21 2.12 0.00 -1.26 -5.02 121.76 118.33 3hhq s ALA 124 Ca 0.37 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 3hhq s ALA 124 Cb 0.38 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3hhq s ALA 124 CO -0.10 -0.34 0.09 -1.14 0.00 0.00 0.00 175.76 174.27 3hhq s GLN 125 N -2.96 3.97 -0.00 0.00 0.74 -1.26 -5.08 119.66 115.07 3hhq s GLN 125 Ca 0.64 -0.34 -0.30 0.00 0.05 0.00 0.00 55.36 55.42 3hhq s GLN 125 Cb -0.20 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.53 3hhq s GLN 125 CO 0.24 0.15 1.39 0.42 -0.55 0.00 0.00 175.29 176.94 3hhq s ILE 126 N 0.73 3.74 0.04 -2.34 1.01 -1.26 -5.04 121.20 118.07 3hhq s ILE 126 Ca 0.05 1.12 0.06 0.00 0.00 0.00 0.00 60.65 61.88 3hhq s ILE 126 Cb -0.13 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 3hhq s ILE 126 CO 0.02 -0.00 -0.16 -0.69 0.00 0.00 0.00 174.94 174.11 3hhq s VAL 127 N 2.37 2.98 -0.17 2.92 1.01 -1.26 -5.13 120.40 123.11 3hhq s VAL 127 Ca 0.63 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3hhq s VAL 127 Cb -0.31 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3hhq s VAL 127 CO 0.26 0.32 -0.05 -0.69 0.00 0.00 0.00 175.10 174.94 3hhq s VAL 128 N -0.96 3.61 0.17 2.92 1.01 -1.26 -5.12 120.40 120.77 3hhq s VAL 128 Ca 0.16 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.76 3hhq s VAL 128 Cb -0.11 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3hhq s VAL 128 CO 0.06 0.47 -0.15 0.68 0.00 0.00 0.00 175.10 176.17 3hhq s VAL 129 N 0.69 1.62 -0.51 2.92 -7.23 -1.26 -5.02 120.40 111.61 3hhq s VAL 129 Ca -0.03 -1.98 0.26 0.00 -1.81 0.00 0.00 61.98 58.42 3hhq s VAL 129 Cb -0.15 -1.83 0.30 0.00 0.56 0.00 0.00 36.38 35.27 3hhq s VAL 129 CO 0.02 -0.47 1.75 -0.78 -0.31 0.00 0.00 175.10 175.32 3hhq h ASP 130 N 3.05 0.00 -1.51 4.85 -0.00 -2.10 -3.45 116.42 117.27 3hhq h ASP 130 Ca -0.40 0.00 0.13 0.00 -0.00 0.00 0.00 57.03 56.76 3hhq h ASP 130 Cb 1.21 0.00 -0.22 0.00 -0.00 0.00 0.00 39.33 40.32 3hhq h ASP 130 CO 0.55 0.00 0.04 -0.55 -0.00 0.00 0.00 179.24 179.28 3hhq s SER 131 N -4.96 -0.88 0.00 2.28 0.15 -1.26 -5.38 113.70 103.65 3hhq s SER 131 Ca 0.07 1.19 0.31 0.00 0.70 0.00 0.00 55.95 58.23 3hhq s SER 131 Cb 0.10 1.99 1.77 0.00 -1.71 0.00 0.00 66.02 68.17 3hhq s SER 131 CO 0.56 -0.17 2.15 0.18 1.20 0.00 0.00 173.24 177.16