#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhq s VAL 8 N 0.00 3.47 -0.50 3.15 1.01 -1.26 -4.97 120.40 121.30 3hhq s VAL 8 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 3hhq s VAL 8 Cb 0.00 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.94 3hhq s VAL 8 CO 0.00 0.51 0.69 -0.22 0.00 0.00 0.00 175.10 176.09 3hhq s LEU 9 N 0.30 4.70 -0.11 3.92 2.96 -1.26 -3.37 118.68 125.82 3hhq s LEU 9 Ca -0.07 -0.70 -0.22 0.00 -0.22 0.00 0.00 54.13 52.92 3hhq s LEU 9 Cb -0.15 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 3hhq s LEU 9 CO 0.04 -0.94 0.67 -0.54 -1.32 0.00 0.00 176.35 174.26 3hhq s LYS 10 N 2.94 4.37 -0.07 1.98 1.02 -0.91 -4.97 119.74 124.11 3hhq s LYS 10 Ca 0.20 0.79 0.05 0.00 0.02 0.00 0.00 55.97 57.03 3hhq s LYS 10 Cb -0.17 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3hhq s LYS 10 CO 0.15 -0.01 -0.22 0.42 -0.92 0.00 0.00 175.35 174.76 3hhq s ILE 11 N 1.10 2.33 -0.18 2.17 -1.09 -1.26 -1.23 121.20 123.05 3hhq s ILE 11 Ca 0.35 -0.97 -0.02 0.00 -2.23 0.00 0.00 60.65 57.78 3hhq s ILE 11 Cb -0.17 -1.87 -0.01 0.00 -1.58 0.00 0.00 42.46 38.83 3hhq s ILE 11 CO 0.15 0.57 -0.09 -1.58 -1.23 0.00 0.00 174.94 172.76 3hhq s GLN 12 N -0.18 3.37 -0.34 2.79 0.74 0.16 -4.99 119.66 121.21 3hhq s GLN 12 Ca -0.02 -0.66 -0.21 0.00 0.05 0.00 0.00 55.36 54.52 3hhq s GLN 12 Cb -0.14 -2.81 -0.00 0.00 1.10 0.00 0.00 33.01 31.16 3hhq s GLN 12 CO 0.04 -0.00 0.65 -0.51 -0.55 0.00 0.00 175.29 174.91 3hhq s LEU 13 N 0.93 4.20 0.32 3.68 1.43 -1.26 -1.89 118.68 126.09 3hhq s LEU 13 Ca -0.02 0.28 0.24 0.00 -1.03 0.00 0.00 54.13 53.61 3hhq s LEU 13 Cb -0.15 -2.83 0.52 0.00 0.03 0.00 0.00 46.19 43.76 3hhq s LEU 13 CO -0.00 -0.56 1.64 0.03 0.23 0.00 0.00 176.35 177.68 3hhq h ARG 14 N 8.35 0.00 -2.80 1.70 3.08 -1.05 -3.47 114.38 120.20 3hhq h ARG 14 Ca -0.26 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.88 3hhq h ARG 14 Cb 1.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 3hhq h ARG 14 CO 0.83 0.00 0.32 -1.54 -1.07 0.00 0.00 179.97 178.51 3hhq s SER 15 N -5.41 -0.19 0.50 7.04 1.04 -1.25 -5.02 113.70 110.40 3hhq s SER 15 Ca 0.08 -0.63 0.25 0.00 0.48 0.00 0.00 55.95 56.13 3hhq s SER 15 Cb 0.09 0.67 1.32 0.00 0.10 0.00 0.00 66.02 68.19 3hhq s SER 15 CO 0.65 -1.26 1.91 0.00 0.98 0.00 0.00 173.24 175.52 3hhq h ALA 16 N 2.00 2.53 0.00 5.32 0.00 -1.95 -2.04 119.26 125.11 3hhq h ALA 16 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hhq h ALA 16 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hhq h ALA 16 CO 0.27 -0.76 0.00 0.43 0.00 0.00 0.00 179.25 179.18 3hhq n SER 17 N -4.38 0.51 -4.79 0.00 7.64 -1.26 -4.87 113.62 106.48 3hhq n SER 17 Ca 0.16 0.55 -0.34 0.00 1.01 0.00 0.00 58.87 60.25 3hhq n SER 17 Cb 0.77 -0.69 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 -3.07 2.76 -0.10 -0.43 0.00 -0.77 -4.44 121.76 115.72 3hhq s ALA 18 Ca 0.12 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.79 3hhq s ALA 18 Cb 0.15 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 3hhq s ALA 18 CO 0.57 -0.61 -0.23 0.99 0.00 0.00 0.00 175.76 176.48 3hhq s THR 19 N -1.97 2.16 0.06 0.00 2.01 -1.26 -5.00 115.64 111.64 3hhq s THR 19 Ca 0.69 -0.99 -0.32 0.00 0.31 0.00 0.00 61.69 61.38 3hhq s THR 19 Cb -0.20 -1.82 -0.11 0.00 0.01 0.00 0.00 72.50 70.38 3hhq s THR 19 CO 0.26 0.56 1.85 0.52 -0.69 0.00 0.00 174.62 177.11 3hhq n VAL 20 N 3.43 0.46 -1.62 3.82 0.31 -1.26 -4.69 118.33 118.77 3hhq n VAL 20 Ca -0.19 -0.08 -0.41 0.00 -0.01 0.00 0.00 64.34 63.65 3hhq n VAL 20 Cb 0.53 -2.03 0.01 0.00 -0.91 0.00 0.00 33.84 31.44 3hhq n VAL 20 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3hhq n PRO 21 N 6.01 1.38 -4.32 5.55 -0.02 -1.26 -5.00 135.00 137.33 3hhq n PRO 21 Ca 0.19 0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 61.99 3hhq n PRO 21 Cb 0.35 -2.08 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.28 0.65 0.30 3.45 -4.23 -1.23 -4.86 115.64 108.44 3hhq s THR 22 Ca 0.64 -0.38 -0.28 0.00 -1.18 0.00 0.00 61.69 60.49 3hhq s THR 22 Cb -0.54 -0.55 -0.09 0.00 1.34 0.00 0.00 72.50 72.65 3hhq s THR 22 CO 0.56 0.17 1.03 -0.54 -0.54 0.00 0.00 174.62 175.30 3hhq s LYS 23 N -0.24 4.58 0.09 3.99 1.02 -1.26 0.85 119.74 128.77 3hhq s LYS 23 Ca 0.03 1.59 0.25 0.00 0.02 0.00 0.00 55.97 57.86 3hhq s LYS 23 Cb -0.03 -3.01 0.60 0.00 -0.52 0.00 0.00 37.83 34.86 3hhq s LYS 23 CO -0.00 0.22 1.51 0.41 -0.92 0.00 0.00 175.35 176.57 3hhq n GLY 24 N 0.98 -1.44 3.69 -3.33 0.00 -1.26 -4.92 105.19 98.91 3hhq n GLY 24 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3hhq n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hhq s SER 25 N -3.80 -0.08 0.26 1.61 1.04 -1.26 -5.04 113.70 106.44 3hhq s SER 25 Ca 0.09 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 55.61 3hhq s SER 25 Cb 0.15 0.66 0.35 0.00 0.10 0.00 0.00 66.02 67.27 3hhq s SER 25 CO 0.67 -1.26 1.91 0.00 0.98 0.00 0.00 173.24 175.53 3hhq h ALA 26 N 2.14 1.35 -0.32 5.32 0.00 -2.02 -2.87 119.26 122.87 3hhq h ALA 26 Ca -0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3hhq h ALA 26 Cb 1.25 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3hhq h ALA 26 CO 0.32 0.55 0.01 0.25 0.00 0.00 0.00 179.25 180.38 3hhq n THR 27 N -4.44 2.41 -1.86 0.00 -2.24 -1.26 -4.99 114.28 101.90 3hhq n THR 27 Ca 0.14 -2.10 -0.40 0.00 -2.27 0.00 0.00 64.05 59.42 3hhq n THR 27 Cb 0.10 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.96 3.37 0.34 6.98 0.00 -1.09 -4.91 121.76 123.50 3hhq s ALA 28 Ca 0.44 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.88 3hhq s ALA 28 Cb 0.37 -3.57 0.61 0.00 0.00 0.00 0.00 23.12 20.53 3hhq s ALA 28 CO 0.07 -1.06 1.93 0.00 0.00 0.00 0.00 175.76 176.70 3hhq h ALA 29 N 2.67 1.45 -2.14 0.00 0.00 -1.94 -3.47 119.26 115.83 3hhq h ALA 29 Ca -0.51 -0.13 -0.43 0.00 0.00 0.00 0.00 54.91 53.85 3hhq h ALA 29 Cb 1.25 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 3hhq h ALA 29 CO 0.63 0.43 -0.66 0.20 0.00 0.00 0.00 179.25 179.84 3hhq s GLY 30 N -3.67 1.71 -0.14 0.00 0.00 -1.26 -4.58 107.32 99.38 3hhq s GLY 30 Ca -0.09 -1.85 -0.06 0.00 0.00 0.00 0.00 44.72 42.72 3hhq s GLY 30 CO 0.77 -1.74 0.08 -0.19 0.00 0.00 0.00 173.10 172.01 3hhq s TYR 31 N -3.27 3.35 0.31 1.90 1.51 0.56 -4.49 117.35 117.22 3hhq s TYR 31 Ca 0.30 0.27 -0.29 0.00 -1.01 0.00 0.00 57.07 56.34 3hhq s TYR 31 Cb 0.05 -1.97 -0.10 0.00 -0.11 0.00 0.00 41.96 39.84 3hhq s TYR 31 CO 0.11 0.43 1.32 -0.51 -1.11 0.00 0.00 175.55 175.78 3hhq s ASP 32 N -0.40 6.78 -0.18 2.29 1.01 0.25 0.25 116.67 126.66 3hhq s ASP 32 Ca 0.10 2.66 -0.04 0.00 0.71 0.00 0.00 52.55 55.98 3hhq s ASP 32 Cb -0.12 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 3hhq s ASP 32 CO 0.02 -0.54 -0.03 -0.63 0.21 0.00 0.00 175.17 174.19 3hhq s ILE 33 N -0.91 3.73 -0.09 0.77 -1.09 0.62 -3.48 121.20 120.74 3hhq s ILE 33 Ca 0.51 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.51 3hhq s ILE 33 Cb -0.40 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 3hhq s ILE 33 CO 0.50 0.46 -0.02 -0.31 -1.23 0.00 0.00 174.94 174.34 3hhq s TYR 34 N 0.81 3.09 0.46 3.97 2.02 -1.26 -0.13 117.35 126.31 3hhq s TYR 34 Ca -0.01 0.09 -0.24 0.00 -0.37 0.00 0.00 57.07 56.53 3hhq s TYR 34 Cb -0.14 -1.79 -0.07 0.00 -0.40 0.00 0.00 41.96 39.55 3hhq s TYR 34 CO 0.02 0.36 1.34 0.00 -1.57 0.00 0.00 175.55 175.70 3hhq s ALA 35 N -0.68 3.10 -1.54 3.71 0.00 0.14 -4.58 121.76 121.91 3hhq s ALA 35 Ca 0.11 1.30 0.21 0.00 0.00 0.00 0.00 51.96 53.58 3hhq s ALA 35 Cb -0.12 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 3hhq s ALA 35 CO 0.02 -1.07 0.98 -1.13 0.00 0.00 0.00 175.76 174.56 3hhq n SER 36 N -0.36 1.55 -3.73 0.00 3.41 0.07 -0.74 113.62 113.83 3hhq n SER 36 Ca 0.06 -1.27 -0.14 0.00 -0.26 0.00 0.00 58.87 57.26 3hhq n SER 36 Cb 0.44 0.71 -0.09 0.00 -0.26 0.00 0.00 64.21 65.01 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 -2.66 0.59 0.50 4.33 -0.21 -1.26 -4.75 119.66 116.21 3hhq s GLN 37 Ca 0.13 0.27 -0.22 0.00 0.02 0.00 0.00 55.36 55.57 3hhq s GLN 37 Cb 0.17 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 34.39 3hhq s GLN 37 CO 0.69 -0.12 1.24 -0.51 -2.12 0.00 0.00 175.29 174.46 3hhq s ASP 38 N -0.45 5.75 0.07 5.90 1.01 -1.26 -4.14 116.67 123.56 3hhq s ASP 38 Ca -0.06 2.49 -0.26 0.00 0.71 0.00 0.00 52.55 55.43 3hhq s ASP 38 Cb -0.03 -2.62 0.09 0.00 1.01 0.00 0.00 42.92 41.37 3hhq s ASP 38 CO 0.03 -1.22 0.79 -0.51 0.21 0.00 0.00 175.17 174.47 3hhq s ILE 39 N -1.46 0.00 -0.03 0.77 2.07 -0.31 -4.93 121.20 117.31 3hhq s ILE 39 Ca 0.68 -0.10 0.05 0.00 -1.41 0.00 0.00 60.65 59.87 3hhq s ILE 39 Cb -0.33 -1.13 -0.01 0.00 0.13 0.00 0.00 42.46 41.12 3hhq s ILE 39 CO 0.40 0.00 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.34 3hhq s THR 40 N -3.37 1.56 -0.41 4.00 2.01 -1.26 -0.28 115.64 117.89 3hhq s THR 40 Ca 0.05 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 3hhq s THR 40 Cb -0.01 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 71.20 3hhq s THR 40 CO -0.09 0.44 0.30 -0.63 -0.69 0.00 0.00 174.62 173.96 3hhq s ILE 41 N -0.24 5.23 0.50 1.82 -1.09 0.02 -4.82 121.20 122.62 3hhq s ILE 41 Ca 0.02 -0.71 -0.23 0.00 -2.23 0.00 0.00 60.65 57.51 3hhq s ILE 41 Cb -0.10 -3.93 -0.06 0.00 -1.58 0.00 0.00 42.46 36.79 3hhq s ILE 41 CO 0.01 -0.33 1.27 -2.84 -1.23 0.00 0.00 174.94 171.82 3hhq s PRO 42 N 1.67 3.47 0.26 2.79 0.02 -1.26 -0.74 135.00 141.21 3hhq s PRO 42 Ca 0.05 2.03 -0.30 0.00 0.02 0.00 0.00 61.00 62.79 3hhq s PRO 42 Cb -0.19 -2.36 -0.14 0.00 0.02 0.00 0.00 34.50 31.83 3hhq s PRO 42 CO 0.10 -0.86 1.24 0.00 -0.33 0.00 0.00 177.00 177.15 3hhq n ALA 43 N -0.71 0.48 -1.53 -1.55 0.00 -1.26 -1.15 120.51 114.79 3hhq n ALA 43 Ca 0.09 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 3hhq n ALA 43 Cb 0.46 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.67 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 1.37 -1.46 -0.19 0.00 2.81 -0.22 -4.91 117.12 114.51 3hhq n MET 44 Ca 0.10 1.15 0.00 0.00 -1.81 0.00 0.00 57.70 57.14 3hhq n MET 44 Cb 0.31 -5.52 0.00 0.00 -0.71 0.00 0.00 33.22 27.31 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 -0.34 6.38 3.25 3.03 0.00 -0.30 -4.90 105.19 112.31 3hhq n GLY 45 Ca -0.18 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 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 0.71 1.19 0.22 1.61 -2.07 -1.26 -1.54 119.66 118.52 3hhq s GLN 46 Ca 0.00 -1.60 -0.17 0.00 -1.82 0.00 0.00 55.36 51.77 3hhq s GLN 46 Cb 0.00 -0.17 0.02 0.00 -1.09 0.00 0.00 33.01 31.77 3hhq s GLN 46 CO 0.00 -0.22 0.54 0.20 -1.32 0.00 0.00 175.29 174.49 3hhq s GLY 47 N -3.20 0.06 -0.07 2.60 0.00 -0.65 -4.41 107.32 101.66 3hhq s GLY 47 Ca 0.29 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.64 3hhq s GLY 47 CO 0.07 -0.33 -0.13 1.06 0.00 0.00 0.00 173.10 173.77 3hhq s MET 48 N -3.92 1.80 -0.18 2.90 -1.94 -1.26 -1.68 119.30 115.03 3hhq s MET 48 Ca 0.13 -0.46 -0.07 0.00 -1.71 0.00 0.00 55.69 53.58 3hhq s MET 48 Cb -0.02 -1.47 -0.04 0.00 2.01 0.00 0.00 34.83 35.31 3hhq s MET 48 CO 0.01 0.05 0.05 0.08 -0.01 0.00 0.00 175.02 175.20 3hhq s VAL 49 N 0.60 4.62 0.40 -6.03 1.01 -0.28 -4.92 120.40 115.81 3hhq s VAL 49 Ca -0.14 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.52 3hhq s VAL 49 Cb -0.16 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 3hhq s VAL 49 CO 0.04 0.46 0.96 -0.44 0.00 0.00 0.00 175.10 176.12 3hhq s SER 50 N 0.42 7.01 0.00 3.32 0.01 -1.26 -1.51 113.70 121.70 3hhq s SER 50 Ca 0.02 1.75 0.00 0.00 1.31 0.00 0.00 55.95 59.03 3hhq s SER 50 Cb -0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3hhq s SER 50 CO 0.01 -0.30 0.00 0.35 0.41 0.00 0.00 173.24 173.70 3hhq n THR 51 N -0.31 0.00 -2.50 1.44 -2.24 -1.25 -0.75 114.28 108.66 3hhq n THR 51 Ca 0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 3hhq n THR 51 Cb 0.53 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.51 -4.38 -4.36 3.42 8.00 -1.26 -4.36 116.55 112.10 3hhq n ASP 52 Ca 0.00 0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 3hhq n ASP 52 Cb 0.03 -3.69 -0.13 0.00 -0.02 0.00 0.00 41.12 37.31 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 -2.74 2.13 0.17 0.53 -4.36 -1.26 -0.34 121.20 115.33 3hhq s ILE 53 Ca 0.03 -1.62 0.09 0.00 -0.26 0.00 0.00 60.65 58.90 3hhq s ILE 53 Cb -0.02 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 3hhq s ILE 53 CO 0.04 0.14 -0.19 -0.44 0.24 0.00 0.00 174.94 174.73 3hhq s SER 54 N -1.81 2.82 0.06 4.36 0.01 -0.79 -0.64 113.70 117.71 3hhq s SER 54 Ca 0.12 -0.86 -0.17 0.00 1.31 0.00 0.00 55.95 56.35 3hhq s SER 54 Cb -0.10 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 65.99 3hhq s SER 54 CO 0.05 -0.01 0.38 0.72 0.41 0.00 0.00 173.24 174.80 3hhq s PHE 55 N -1.97 -0.21 -0.30 2.43 -0.71 -1.26 0.39 117.98 116.34 3hhq s PHE 55 Ca 0.17 0.08 -0.04 0.00 -1.04 0.00 0.00 56.93 56.09 3hhq s PHE 55 Cb -0.06 0.20 0.04 0.00 -1.21 0.00 0.00 43.02 41.98 3hhq s PHE 55 CO 0.07 -0.59 0.04 0.99 -1.34 0.00 0.00 175.22 174.39 3hhq s THR 56 N -2.84 3.41 0.74 -4.49 2.01 -0.36 -4.79 115.64 109.32 3hhq s THR 56 Ca -0.03 -1.12 -0.13 0.00 0.31 0.00 0.00 61.69 60.72 3hhq s THR 56 Cb 0.00 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.68 3hhq s THR 56 CO -0.05 -0.05 1.12 0.68 -0.69 0.00 0.00 174.62 175.63 3hhq s VAL 57 N 1.36 3.04 0.77 3.82 -7.23 -1.26 -2.15 120.40 118.75 3hhq s VAL 57 Ca -0.02 0.40 -0.14 0.00 -1.81 0.00 0.00 61.98 60.42 3hhq s VAL 57 Cb -0.19 -2.86 0.06 0.00 0.56 0.00 0.00 36.38 33.96 3hhq s VAL 57 CO 0.00 -0.37 1.20 -2.84 -0.31 0.00 0.00 175.10 172.78 3hhq s PRO 58 N -4.48 1.86 0.32 4.82 0.02 -1.22 -4.92 135.00 131.41 3hhq s PRO 58 Ca 0.65 1.73 -0.28 0.00 0.02 0.00 0.00 61.00 63.13 3hhq s PRO 58 Cb -0.20 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.38 3hhq s PRO 58 CO 0.50 -2.04 1.09 0.28 -0.33 0.00 0.00 177.00 176.50 3hhq n VAL 59 N -3.07 2.05 -1.00 3.83 0.31 -1.26 -2.09 118.33 117.09 3hhq n VAL 59 Ca 0.13 -0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3hhq n VAL 59 Cb 0.50 -1.19 -0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 1.07 0.47 3.39 2.92 0.00 -1.26 -5.03 105.19 106.76 3hhq n GLY 60 Ca 0.08 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.97 0.85 0.25 2.61 -4.23 -0.89 -2.07 115.64 110.20 3hhq s THR 61 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3hhq s THR 61 Cb 0.00 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 3hhq s THR 61 CO 0.00 0.00 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.35 3hhq s TYR 62 N -3.50 1.70 -0.31 3.99 1.13 -0.81 -4.51 117.35 115.05 3hhq s TYR 62 Ca 0.36 -0.87 -0.14 0.00 -1.41 0.00 0.00 57.07 55.02 3hhq s TYR 62 Cb 0.08 -1.00 -0.03 0.00 -1.10 0.00 0.00 41.96 39.91 3hhq s TYR 62 CO 0.15 0.05 0.31 0.20 -2.51 0.00 0.00 175.55 173.74 3hhq s GLY 63 N -3.36 1.91 -0.26 5.49 0.00 0.37 -1.90 107.32 109.58 3hhq s GLY 63 Ca 0.29 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 43.79 3hhq s GLY 63 CO 0.10 0.87 0.26 -1.60 0.00 0.00 0.00 173.10 172.74 3hhq s ARG 64 N 1.93 4.03 -0.58 2.90 3.52 0.37 -0.44 118.95 130.67 3hhq s ARG 64 Ca 0.11 -0.13 -0.26 0.00 -0.13 0.00 0.00 55.73 55.31 3hhq s ARG 64 Cb -0.16 -3.61 0.04 0.00 -1.56 0.00 0.00 34.95 29.65 3hhq s ARG 64 CO 0.11 -0.13 1.09 0.42 -0.81 0.00 0.00 175.30 175.98 3hhq s ILE 65 N 1.61 4.15 0.28 4.11 -1.09 0.31 -1.25 121.20 129.32 3hhq s ILE 65 Ca 0.11 0.57 0.09 0.00 -2.23 0.00 0.00 60.65 59.19 3hhq s ILE 65 Cb -0.15 -4.67 -0.04 0.00 -1.58 0.00 0.00 42.46 36.02 3hhq s ILE 65 CO 0.09 -1.30 0.07 0.00 -1.23 0.00 0.00 174.94 172.57 3hhq s ALA 66 N 4.58 3.33 0.47 9.38 0.00 0.15 -4.59 121.76 135.09 3hhq s ALA 66 Ca 0.37 -1.66 -0.21 0.00 0.00 0.00 0.00 51.96 50.46 3hhq s ALA 66 Cb -0.10 -0.86 -0.09 0.00 0.00 0.00 0.00 23.12 22.08 3hhq s ALA 66 CO 0.22 0.20 1.03 -1.25 0.00 0.00 0.00 175.76 175.96 3hhq s PRO 67 N -3.75 3.89 0.05 0.00 0.04 -1.26 -0.26 135.00 133.71 3hhq s PRO 67 Ca 0.33 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 3hhq s PRO 67 Cb -0.06 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3hhq s PRO 67 CO 0.22 -0.35 0.92 1.03 0.04 0.00 0.00 177.00 178.85 3hhq s ARG 68 N -3.11 4.60 0.23 4.56 0.52 -1.26 -4.60 118.95 119.89 3hhq s ARG 68 Ca 0.65 1.34 -0.06 0.00 -0.52 0.00 0.00 55.73 57.15 3hhq s ARG 68 Cb -0.17 -3.41 0.21 0.00 0.52 0.00 0.00 34.95 32.11 3hhq s ARG 68 CO 0.20 0.13 1.78 0.77 0.02 0.00 0.00 175.30 178.20 3hhq h SER 69 N 6.08 1.02 -0.72 0.23 0.02 -1.96 -2.53 113.55 115.69 3hhq h SER 69 Ca -0.42 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.28 3hhq h SER 69 Cb 1.21 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 3hhq h SER 69 CO 0.73 0.94 0.17 1.23 -1.14 0.00 0.00 176.83 178.76 3hhq h GLY 70 N 1.10 1.24 1.80 -3.77 0.00 -1.98 0.09 103.07 101.54 3hhq h GLY 70 Ca 0.23 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 3hhq h GLY 70 CO -0.01 0.72 -0.20 1.41 0.00 0.00 0.00 176.54 178.46 3hhq h LEU 71 N 1.09 0.23 0.38 3.11 3.38 -1.88 0.36 115.31 121.98 3hhq h LEU 71 Ca 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3hhq h LEU 71 Cb 0.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hhq h LEU 71 CO 0.00 0.45 -0.18 0.00 0.09 0.00 0.00 178.44 178.80 3hhq h ALA 72 N 1.57 -0.50 -0.17 1.53 0.00 -0.88 -1.92 119.26 118.89 3hhq h ALA 72 Ca 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hhq h ALA 72 Cb 0.49 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3hhq h ALA 72 CO 0.03 -0.55 0.05 0.28 0.00 0.00 0.00 179.25 179.06 3hhq h VAL 73 N -0.97 0.94 0.00 0.00 2.07 -0.86 -2.04 116.25 115.39 3hhq h VAL 73 Ca -0.05 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3hhq h VAL 73 Cb 0.53 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3hhq h VAL 73 CO 0.08 0.02 -1.20 0.29 0.02 0.00 0.00 177.57 176.79 3hhq n LYS 74 N -5.07 0.56 0.00 1.57 5.02 0.13 -4.52 118.16 115.85 3hhq n LYS 74 Ca -0.03 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3hhq n LYS 74 Cb 0.07 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3hhq n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hhq n ASN 75 N -2.47 0.47 -0.43 4.39 3.02 -0.77 -5.03 115.26 114.44 3hhq n ASN 75 Ca -0.00 -0.92 -0.05 0.00 -0.03 0.00 0.00 54.58 53.58 3hhq n ASN 75 Cb 0.53 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.06 0.66 3.75 7.41 0.00 -0.77 -4.39 105.19 111.92 3hhq n GLY 76 Ca 0.00 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.20 4.92 0.06 -0.61 -1.09 -0.93 -1.44 121.20 119.91 3hhq s ILE 77 Ca 0.00 1.29 0.06 0.00 -2.23 0.00 0.00 60.65 59.76 3hhq s ILE 77 Cb 0.00 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 3hhq s ILE 77 CO 0.00 0.39 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.36 3hhq s GLN 78 N -0.02 0.95 0.21 2.79 2.00 -0.50 -3.81 119.66 121.29 3hhq s GLN 78 Ca 0.32 -0.90 -0.23 0.00 -2.00 0.00 0.00 55.36 52.55 3hhq s GLN 78 Cb -0.18 -1.00 -0.08 0.00 0.80 0.00 0.00 33.01 32.55 3hhq s GLN 78 CO 0.17 0.24 0.78 0.95 -0.50 0.00 0.00 175.29 176.93 3hhq s THR 79 N -1.05 4.42 0.44 -0.34 -4.23 -1.26 -0.76 115.64 112.87 3hhq s THR 79 Ca 0.01 1.55 0.05 0.00 -1.18 0.00 0.00 61.69 62.13 3hhq s THR 79 Cb -0.09 -4.01 0.05 0.00 1.34 0.00 0.00 72.50 69.79 3hhq s THR 79 CO 0.02 0.34 0.43 0.61 -0.54 0.00 0.00 174.62 175.49 3hhq n GLY 80 N 1.10 2.49 7.00 3.99 0.00 0.48 -4.83 105.19 115.43 3hhq n GLY 80 Ca -0.03 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.74 3hhq n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhq n ALA 81 N -2.24 0.00 0.00 4.61 0.00 -1.26 -4.37 120.51 117.24 3hhq n ALA 81 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3hhq n ALA 81 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 1.07 3.44 0.00 0.00 -1.26 -4.90 105.19 103.55 3hhq n GLY 82 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.23 4.45 -0.36 1.61 1.01 -1.26 -0.53 120.40 123.09 3hhq s VAL 83 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 3hhq s VAL 83 Cb 0.00 -4.69 -0.00 0.00 0.00 0.00 0.00 36.38 31.69 3hhq s VAL 83 CO 0.00 -1.44 0.33 -0.69 0.00 0.00 0.00 175.10 173.31 3hhq s VAL 84 N 3.66 5.20 0.50 2.92 1.01 0.42 -4.98 120.40 129.13 3hhq s VAL 84 Ca 0.23 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 3hhq s VAL 84 Cb -0.15 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 3hhq s VAL 84 CO 0.06 -0.15 1.05 -1.81 0.00 0.00 0.00 175.10 174.25 3hhq s ASP 85 N 1.73 6.21 0.56 3.32 -0.00 -1.26 -0.48 116.67 126.76 3hhq s ASP 85 Ca 0.09 1.95 0.26 0.00 -0.00 0.00 0.00 52.55 54.85 3hhq s ASP 85 Cb -0.17 -2.56 1.54 0.00 -0.00 0.00 0.00 42.92 41.73 3hhq s ASP 85 CO 0.11 -0.87 2.09 -0.09 -0.00 0.00 0.00 175.17 176.41 3hhq h ARG 86 N 1.41 0.00 -0.52 8.23 2.43 -1.92 -2.00 114.38 122.01 3hhq h ARG 86 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3hhq h ARG 86 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3hhq h ARG 86 CO 0.59 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.65 3hhq n ASP 87 N -4.06 3.24 -4.68 -3.80 3.85 -1.26 -4.58 116.55 105.25 3hhq n ASP 87 Ca 0.03 -1.97 -0.42 0.00 -0.71 0.00 0.00 54.79 51.72 3hhq n ASP 87 Cb 0.34 -0.34 -0.03 0.00 -1.35 0.00 0.00 41.12 39.74 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 -1.32 3.49 -0.05 2.11 5.04 -0.75 -4.92 117.35 120.96 3hhq s TYR 88 Ca 0.40 1.43 0.01 0.00 -2.44 0.00 0.00 57.07 56.47 3hhq s TYR 88 Cb 0.22 -3.08 0.01 0.00 0.35 0.00 0.00 41.96 39.46 3hhq s TYR 88 CO 0.29 -0.19 0.96 0.25 -1.34 0.00 0.00 175.55 175.52 3hhq n THR 89 N 4.51 0.89 -1.70 4.34 -2.24 -1.26 -4.61 114.28 114.20 3hhq n THR 89 Ca 0.06 -0.94 -0.29 0.00 -2.27 0.00 0.00 64.05 60.60 3hhq n THR 89 Cb 0.49 0.56 0.21 0.00 -2.10 0.00 0.00 70.33 69.49 3hhq n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhq n GLY 90 N -0.40 -1.81 3.73 3.38 0.00 -1.26 -4.92 105.19 103.91 3hhq n GLY 90 Ca 0.01 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3hhq n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hhq s GLU 91 N -5.77 4.47 -0.21 1.61 2.12 -1.26 -4.46 118.70 115.20 3hhq s GLU 91 Ca 0.73 1.86 -0.28 0.00 0.36 0.00 0.00 54.97 57.65 3hhq s GLU 91 Cb -0.03 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.10 3hhq s GLU 91 CO 0.53 -0.15 1.00 0.08 -0.54 0.00 0.00 175.26 176.18 3hhq s VAL 92 N 0.27 4.73 0.04 3.70 1.01 0.19 -4.99 120.40 125.34 3hhq s VAL 92 Ca 0.55 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.53 3hhq s VAL 92 Cb -0.32 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 3hhq s VAL 92 CO 0.34 -0.13 -0.05 -0.54 0.00 0.00 0.00 175.10 174.73 3hhq s LYS 93 N 2.90 2.50 -0.26 2.72 -0.14 -1.26 -3.84 119.74 122.37 3hhq s LYS 93 Ca 0.43 -0.78 -0.11 0.00 -1.36 0.00 0.00 55.97 54.15 3hhq s LYS 93 Cb -0.16 -2.49 -0.05 0.00 -1.68 0.00 0.00 37.83 33.45 3hhq s LYS 93 CO 0.08 0.58 0.20 0.08 -0.76 0.00 0.00 175.35 175.53 3hhq s VAL 94 N -1.10 5.31 -0.14 3.17 1.01 -0.57 -4.90 120.40 123.18 3hhq s VAL 94 Ca 0.20 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.17 3hhq s VAL 94 Cb -0.11 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3hhq s VAL 94 CO 0.11 0.28 0.72 -0.69 0.00 0.00 0.00 175.10 175.51 3hhq s VAL 95 N 1.51 4.99 -0.10 2.92 1.01 -1.26 -1.12 120.40 128.34 3hhq s VAL 95 Ca 0.08 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.51 3hhq s VAL 95 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.20 3hhq s VAL 95 CO 0.08 0.13 -0.19 -0.76 0.00 0.00 0.00 175.10 174.36 3hhq s LEU 96 N 1.59 1.93 -0.03 3.92 1.43 -0.68 -0.38 118.68 126.46 3hhq s LEU 96 Ca 0.35 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 3hhq s LEU 96 Cb -0.17 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 3hhq s LEU 96 CO 0.14 0.09 0.40 -0.36 0.23 0.00 0.00 176.35 176.84 3hhq s PHE 97 N 0.65 3.68 -0.32 0.29 0.40 0.06 -1.63 117.98 121.11 3hhq s PHE 97 Ca -0.13 0.94 -0.04 0.00 -0.60 0.00 0.00 56.93 57.10 3hhq s PHE 97 Cb -0.16 -2.32 0.04 0.00 0.51 0.00 0.00 43.02 41.09 3hhq s PHE 97 CO 0.03 0.56 0.05 1.21 0.70 0.00 0.00 175.22 177.77 3hhq s ASN 98 N -0.74 5.11 0.00 1.36 3.84 -0.59 -1.40 114.94 122.51 3hhq s ASN 98 Ca 0.23 -1.19 0.26 0.00 0.21 0.00 0.00 52.86 52.37 3hhq s ASN 98 Cb -0.16 -1.79 0.66 0.00 -0.55 0.00 0.00 41.25 39.40 3hhq s ASN 98 CO 0.12 -0.29 1.50 1.41 -2.79 0.00 0.00 177.10 177.05 3hhq n HIS 99 N 4.72 0.00 -2.42 0.43 8.25 -0.52 -1.69 115.22 123.99 3hhq n HIS 99 Ca -0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.08 3hhq n HIS 99 Cb 0.44 -0.13 0.11 0.00 1.12 0.00 0.00 29.99 31.53 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 -2.56 4.28 0.00 0.41 1.04 -1.26 -4.68 113.70 110.92 3hhq s SER 100 Ca 0.22 -0.10 0.19 0.00 0.48 0.00 0.00 55.95 56.74 3hhq s SER 100 Cb 0.19 -0.30 0.67 0.00 0.10 0.00 0.00 66.02 66.68 3hhq s SER 100 CO 0.55 -1.91 1.50 0.00 0.98 0.00 0.00 173.24 174.35 3hhq n GLN 101 N -2.97 1.76 -4.36 4.02 1.13 -1.26 -1.06 117.38 114.65 3hhq n GLN 101 Ca 0.13 -1.15 -0.33 0.00 -1.94 0.00 0.00 57.00 53.71 3hhq n GLN 101 Cb 0.60 -1.38 -0.16 0.00 0.11 0.00 0.00 30.24 29.41 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 -1.74 3.03 0.39 -1.09 0.52 -1.26 -4.80 118.95 113.99 3hhq s ARG 102 Ca 0.31 -0.83 -0.24 0.00 -0.52 0.00 0.00 55.73 54.45 3hhq s ARG 102 Cb 0.17 -2.53 -0.13 0.00 0.52 0.00 0.00 34.95 32.98 3hhq s ARG 102 CO 0.25 -0.12 0.64 -0.25 0.02 0.00 0.00 175.30 175.84 3hhq n ASP 103 N 4.37 -0.44 -4.25 0.23 10.43 -1.26 -4.31 116.55 121.32 3hhq n ASP 103 Ca -0.20 0.97 -0.36 0.00 2.57 0.00 0.00 54.79 57.77 3hhq n ASP 103 Cb 0.51 -1.14 -0.14 0.00 1.84 0.00 0.00 41.12 42.19 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 -1.36 3.13 -0.15 1.24 2.19 0.08 -4.88 117.98 118.23 3hhq s PHE 104 Ca 0.63 -1.40 -0.23 0.00 0.33 0.00 0.00 56.93 56.26 3hhq s PHE 104 Cb -0.64 -2.14 -0.03 0.00 -1.31 0.00 0.00 43.02 38.90 3hhq s PHE 104 CO 0.58 -0.69 0.70 0.00 1.83 0.00 0.00 175.22 177.64 3hhq s ALA 105 N 1.38 3.48 -0.12 11.12 0.00 -1.26 -0.79 121.76 135.56 3hhq s ALA 105 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.89 3hhq s ALA 105 Cb -0.17 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 3hhq s ALA 105 CO -0.01 -0.44 -0.16 0.42 0.00 0.00 0.00 175.76 175.56 3hhq s ILE 106 N 1.63 2.73 0.04 0.00 1.01 0.62 -5.01 121.20 122.22 3hhq s ILE 106 Ca 0.33 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 3hhq s ILE 106 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3hhq s ILE 106 CO 0.13 0.54 0.22 -0.54 0.00 0.00 0.00 174.94 175.28 3hhq s LYS 107 N 0.36 3.46 -0.08 2.79 3.01 -1.26 -1.17 119.74 126.85 3hhq s LYS 107 Ca -0.13 -0.35 -0.40 0.00 -1.01 0.00 0.00 55.97 54.08 3hhq s LYS 107 Cb -0.17 -3.05 -0.18 0.00 -1.01 0.00 0.00 37.83 33.43 3hhq s LYS 107 CO 0.07 0.62 1.35 1.17 0.51 0.00 0.00 175.35 179.07 3hhq n LYS 108 N 0.55 0.61 0.00 1.68 4.81 -1.26 -1.00 118.16 123.55 3hhq n LYS 108 Ca -0.07 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3hhq n LYS 108 Cb 0.52 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.77 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 2.64 0.35 3.79 3.14 0.00 0.09 -4.95 105.19 110.26 3hhq n GLY 109 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.21 6.50 -0.08 1.61 1.01 -0.17 -4.73 116.67 118.60 3hhq s ASP 110 Ca 0.00 1.98 -0.30 0.00 0.71 0.00 0.00 52.55 54.94 3hhq s ASP 110 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3hhq s ASP 110 CO 0.00 -0.67 0.99 -0.13 0.21 0.00 0.00 175.17 175.57 3hhq s ARG 111 N -2.95 4.46 0.00 8.23 0.52 -1.26 0.28 118.95 128.23 3hhq s ARG 111 Ca 0.64 1.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.24 3hhq s ARG 111 Cb -0.19 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.76 3hhq s ARG 111 CO 0.23 -0.24 0.00 1.33 0.02 0.00 0.00 175.30 176.64 3hhq n VAL 112 N 4.38 0.00 -3.76 3.52 0.24 0.81 -4.94 118.33 118.57 3hhq n VAL 112 Ca 0.08 -0.31 -0.01 0.00 -2.04 0.00 0.00 64.34 62.06 3hhq n VAL 112 Cb 0.49 0.84 -0.00 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.08 -1.93 0.06 2.33 0.00 -1.22 -4.62 121.76 115.29 3hhq s ALA 113 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.22 3hhq s ALA 113 Cb 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 3hhq s ALA 113 CO 0.00 -1.07 -0.16 1.14 0.00 0.00 0.00 175.76 175.68 3hhq s GLN 114 N -2.60 0.95 -0.33 0.00 -2.07 0.64 -0.28 119.66 115.97 3hhq s GLN 114 Ca 0.17 -0.92 -0.14 0.00 -1.82 0.00 0.00 55.36 52.64 3hhq s GLN 114 Cb 0.01 -1.02 -0.02 0.00 -1.09 0.00 0.00 33.01 30.89 3hhq s GLN 114 CO 0.01 0.24 0.32 -1.17 -1.32 0.00 0.00 175.29 173.37 3hhq s LEU 115 N -1.52 4.40 -0.18 2.60 2.96 0.14 0.33 118.68 127.41 3hhq s LEU 115 Ca 0.01 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3hhq s LEU 115 Cb -0.09 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 3hhq s LEU 115 CO 0.02 -0.29 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.12 3hhq s ILE 116 N 1.94 3.93 -1.23 6.68 1.01 -0.38 -0.32 121.20 132.82 3hhq s ILE 116 Ca 0.10 -0.33 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 3hhq s ILE 116 Cb -0.17 -2.75 0.09 0.00 0.01 0.00 0.00 42.46 39.64 3hhq s ILE 116 CO 0.11 0.46 1.61 -0.76 0.00 0.00 0.00 174.94 176.37 3hhq s LEU 117 N 0.69 4.10 -0.00 2.97 1.43 -1.26 -0.48 118.68 126.13 3hhq s LEU 117 Ca -0.01 -2.43 -0.30 0.00 -1.03 0.00 0.00 54.13 50.36 3hhq s LEU 117 Cb -0.14 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3hhq s LEU 117 CO 0.02 -1.12 1.34 -1.61 0.23 0.00 0.00 176.35 175.22 3hhq s GLU 118 N 3.69 4.31 0.24 1.70 0.41 -0.80 -4.89 118.70 123.37 3hhq s GLU 118 Ca 0.50 1.90 -0.30 0.00 -0.41 0.00 0.00 54.97 56.66 3hhq s GLU 118 Cb 0.02 -3.53 -0.09 0.00 -1.78 0.00 0.00 34.13 28.74 3hhq s GLU 118 CO 0.03 -0.52 1.09 0.15 -0.49 0.00 0.00 175.26 175.53 3hhq s LYS 119 N 2.19 4.64 0.12 1.61 1.02 -1.26 -1.93 119.74 126.13 3hhq s LYS 119 Ca 0.62 1.76 -0.11 0.00 0.02 0.00 0.00 55.97 58.26 3hhq s LYS 119 Cb -0.30 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 3hhq s LYS 119 CO 0.26 0.18 0.29 0.96 -0.92 0.00 0.00 175.35 176.13 3hhq s ILE 120 N -0.86 0.10 -0.44 2.17 -4.36 -0.88 -4.96 121.20 111.96 3hhq s ILE 120 Ca 0.46 -1.03 -0.21 0.00 -0.26 0.00 0.00 60.65 59.61 3hhq s ILE 120 Cb -0.31 -1.42 0.03 0.00 1.25 0.00 0.00 42.46 42.01 3hhq s ILE 120 CO 0.39 -0.44 0.66 -0.69 0.24 0.00 0.00 174.94 175.09 3hhq s VAL 121 N -3.87 4.80 -2.08 8.37 1.01 -1.26 -4.71 120.40 122.66 3hhq s VAL 121 Ca 0.07 0.12 0.22 0.00 0.00 0.00 0.00 61.98 62.38 3hhq s VAL 121 Cb 0.03 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.20 3hhq s VAL 121 CO -0.08 -0.63 1.07 -0.90 0.00 0.00 0.00 175.10 174.56 3hhq n ASP 122 N 6.33 2.12 -1.78 3.32 3.85 -1.26 -4.45 116.55 124.67 3hhq n ASP 122 Ca -0.01 -1.56 -0.19 0.00 -0.71 0.00 0.00 54.79 52.32 3hhq n ASP 122 Cb 0.48 0.40 0.05 0.00 -1.35 0.00 0.00 41.12 40.70 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 0.18 4.36 -4.76 -1.12 3.85 -1.26 -5.07 116.55 112.73 3hhq n ASP 123 Ca 0.09 -3.77 -0.32 0.00 -0.71 0.00 0.00 54.79 50.09 3hhq n ASP 123 Cb 0.47 -0.37 0.08 0.00 -1.35 0.00 0.00 41.12 39.94 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 -3.54 2.29 -0.04 2.12 0.00 -1.26 -5.01 121.76 116.32 3hhq s ALA 124 Ca 0.49 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 3hhq s ALA 124 Cb 0.40 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 3hhq s ALA 124 CO 0.02 -1.64 0.41 -0.65 0.00 0.00 0.00 175.76 173.90 3hhq s GLN 125 N -4.56 4.03 -0.11 0.00 -0.21 -1.26 -5.07 119.66 112.48 3hhq s GLN 125 Ca 0.64 0.39 -0.21 0.00 0.02 0.00 0.00 55.36 56.20 3hhq s GLN 125 Cb -0.19 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 3hhq s GLN 125 CO 0.50 0.55 0.59 0.42 -2.12 0.00 0.00 175.29 175.24 3hhq s ILE 126 N -0.61 5.11 -0.08 1.08 1.01 -1.26 -5.05 121.20 121.40 3hhq s ILE 126 Ca 0.23 1.19 0.02 0.00 0.00 0.00 0.00 60.65 62.09 3hhq s ILE 126 Cb -0.16 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.40 3hhq s ILE 126 CO 0.12 0.27 -0.12 -0.69 0.00 0.00 0.00 174.94 174.52 3hhq s VAL 127 N 0.86 1.15 -0.24 2.92 1.01 -1.26 -5.12 120.40 119.72 3hhq s VAL 127 Ca 0.31 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 3hhq s VAL 127 Cb -0.16 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 3hhq s VAL 127 CO 0.14 0.36 0.17 -0.69 0.00 0.00 0.00 175.10 175.08 3hhq s VAL 128 N 0.84 5.35 0.13 2.92 1.01 -1.26 -5.08 120.40 124.31 3hhq s VAL 128 Ca -0.11 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.13 3hhq s VAL 128 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3hhq s VAL 128 CO 0.02 0.33 -0.16 0.68 0.00 0.00 0.00 175.10 175.96 3hhq s VAL 129 N 1.16 1.55 0.18 2.92 -7.23 -1.26 -5.07 120.40 112.65 3hhq s VAL 129 Ca 0.08 -1.75 -0.08 0.00 -1.81 0.00 0.00 61.98 58.42 3hhq s VAL 129 Cb -0.14 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.20 3hhq s VAL 129 CO 0.05 -0.32 1.59 0.44 -0.31 0.00 0.00 175.10 176.55 3hhq h ASP 130 N 3.53 0.94 -5.04 4.85 5.19 -2.10 -3.45 116.42 120.34 3hhq h ASP 130 Ca -0.42 -0.34 -0.14 0.00 -0.62 0.00 0.00 57.03 55.51 3hhq h ASP 130 Cb 1.20 -0.26 -0.19 0.00 0.18 0.00 0.00 39.33 40.26 3hhq h ASP 130 CO 0.49 1.11 -0.55 -0.94 -3.12 0.00 0.00 179.24 176.23 3hhq s SER 131 N -6.73 0.14 0.00 6.45 1.04 -1.26 -5.36 113.70 107.98 3hhq s SER 131 Ca -0.11 -0.43 0.31 0.00 0.48 0.00 0.00 55.95 56.21 3hhq s SER 131 Cb 0.13 0.20 1.76 0.00 0.10 0.00 0.00 66.02 68.20 3hhq s SER 131 CO 0.86 -0.43 2.14 0.18 0.98 0.00 0.00 173.24 176.97