#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 3.67 -0.39 3.15 1.01 -1.26 -5.03 120.40 121.56 3hhq s VAL 8 Ca 0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 3hhq s VAL 8 Cb 0.00 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3hhq s VAL 8 CO 0.00 0.46 0.55 -0.22 0.00 0.00 0.00 175.10 175.89 3hhq s LEU 9 N 0.83 4.48 -0.24 3.92 2.96 -1.26 -3.52 118.68 125.84 3hhq s LEU 9 Ca -0.01 -0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 53.47 3hhq s LEU 9 Cb -0.15 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 3hhq s LEU 9 CO 0.02 -0.60 0.62 -0.54 -1.32 0.00 0.00 176.35 174.52 3hhq s LYS 10 N 2.51 4.13 -0.12 1.98 1.02 -0.04 -4.95 119.74 124.28 3hhq s LYS 10 Ca 0.19 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.72 3hhq s LYS 10 Cb -0.15 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 3hhq s LYS 10 CO 0.15 -0.36 -0.12 0.42 -0.92 0.00 0.00 175.35 174.52 3hhq s ILE 11 N 2.33 3.17 -0.18 2.17 -1.09 -1.26 -0.93 121.20 125.40 3hhq s ILE 11 Ca 0.26 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3hhq s ILE 11 Cb -0.16 -2.32 -0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3hhq s ILE 11 CO 0.09 0.54 -0.11 -1.58 -1.23 0.00 0.00 174.94 172.64 3hhq s GLN 12 N 0.12 3.27 -0.43 2.79 0.74 0.17 -5.00 119.66 121.33 3hhq s GLN 12 Ca -0.06 -0.70 -0.21 0.00 0.05 0.00 0.00 55.36 54.44 3hhq s GLN 12 Cb -0.15 -2.77 0.02 0.00 1.10 0.00 0.00 33.01 31.21 3hhq s GLN 12 CO 0.04 -0.07 0.69 -0.51 -0.55 0.00 0.00 175.29 174.89 3hhq s LEU 13 N 1.08 4.38 0.24 3.68 1.43 -1.26 -2.07 118.68 126.16 3hhq s LEU 13 Ca 0.00 -0.19 0.26 0.00 -1.03 0.00 0.00 54.13 53.17 3hhq s LEU 13 Cb -0.15 -2.82 0.71 0.00 0.03 0.00 0.00 46.19 43.97 3hhq s LEU 13 CO -0.03 -0.80 1.73 0.03 0.23 0.00 0.00 176.35 177.51 3hhq h ARG 14 N 8.84 0.00 -3.47 1.70 3.08 -1.82 -3.47 114.38 119.26 3hhq h ARG 14 Ca -0.25 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 3hhq h ARG 14 Cb 1.09 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.04 3hhq h ARG 14 CO 0.91 0.00 -0.06 -1.54 -1.07 0.00 0.00 179.97 178.21 3hhq s SER 15 N -4.79 -0.17 0.66 7.04 1.04 -1.25 -5.00 113.70 111.24 3hhq s SER 15 Ca 0.10 -0.64 0.29 0.00 0.48 0.00 0.00 55.95 56.18 3hhq s SER 15 Cb 0.11 0.56 1.59 0.00 0.10 0.00 0.00 66.02 68.38 3hhq s SER 15 CO 0.62 -1.05 1.90 0.00 0.98 0.00 0.00 173.24 175.68 3hhq h ALA 16 N 2.27 1.38 0.00 5.32 0.00 -1.95 -2.96 119.26 123.32 3hhq h ALA 16 Ca -0.28 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3hhq h ALA 16 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hhq h ALA 16 CO 0.38 -0.36 -0.78 0.77 0.00 0.00 0.00 179.25 179.26 3hhq h SER 17 N 0.00 0.00 -4.03 0.00 0.02 -1.94 -3.47 113.55 104.13 3hhq h SER 17 Ca 0.01 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.41 3hhq h SER 17 Cb 0.72 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.39 3hhq h SER 17 CO -0.00 0.20 0.64 0.00 -1.14 0.00 0.00 176.83 176.52 3hhq s ALA 18 N -3.18 2.96 -0.14 3.77 0.00 -1.12 -4.56 121.76 119.49 3hhq s ALA 18 Ca 0.01 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3hhq s ALA 18 Cb 0.08 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3hhq s ALA 18 CO 0.76 -1.30 -0.15 0.99 0.00 0.00 0.00 175.76 176.06 3hhq s THR 19 N -1.27 2.75 0.03 0.00 2.01 -1.26 -4.99 115.64 112.90 3hhq s THR 19 Ca 0.68 -0.75 -0.33 0.00 0.31 0.00 0.00 61.69 61.59 3hhq s THR 19 Cb -0.41 -2.15 -0.12 0.00 0.01 0.00 0.00 72.50 69.82 3hhq s THR 19 CO 0.50 0.52 1.79 0.52 -0.69 0.00 0.00 174.62 177.26 3hhq n VAL 20 N 3.87 0.38 -1.70 3.82 0.31 -1.26 -4.76 118.33 118.99 3hhq n VAL 20 Ca -0.19 -0.07 -0.44 0.00 -0.01 0.00 0.00 64.34 63.64 3hhq n VAL 20 Cb 0.52 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 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 5.54 2.52 -4.09 5.55 -0.02 -1.26 -4.98 135.00 138.26 3hhq n PRO 21 Ca 0.20 0.91 -0.14 0.00 -2.02 0.00 0.00 63.50 62.45 3hhq n PRO 21 Cb 0.31 -2.71 -0.12 0.00 -0.02 0.00 0.00 33.50 30.96 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 0.95 0.52 0.49 3.45 -4.23 -1.25 -4.85 115.64 110.73 3hhq s THR 22 Ca 0.75 -0.89 -0.21 0.00 -1.18 0.00 0.00 61.69 60.16 3hhq s THR 22 Cb -0.57 -0.55 -0.07 0.00 1.34 0.00 0.00 72.50 72.64 3hhq s THR 22 CO 0.36 -0.27 1.15 -0.54 -0.54 0.00 0.00 174.62 174.78 3hhq s LYS 23 N -1.26 3.60 0.24 3.99 1.02 -1.26 -0.12 119.74 125.95 3hhq s LYS 23 Ca -0.07 1.71 0.03 0.00 0.02 0.00 0.00 55.97 57.66 3hhq s LYS 23 Cb -0.08 -2.24 0.26 0.00 -0.52 0.00 0.00 37.83 35.25 3hhq s LYS 23 CO 0.00 -0.67 1.58 0.78 -0.92 0.00 0.00 175.35 176.12 3hhq h GLY 24 N 1.70 0.32 -2.15 -3.33 0.00 -1.95 -3.45 103.07 94.21 3hhq h GLY 24 Ca -0.50 -0.38 -0.44 0.00 0.00 0.00 0.00 47.33 46.01 3hhq h GLY 24 CO 0.59 0.34 -0.62 -1.35 0.00 0.00 0.00 176.54 175.49 3hhq s SER 25 N -6.90 2.17 0.47 0.19 1.04 -1.26 -5.05 113.70 104.36 3hhq s SER 25 Ca -0.05 -1.34 0.19 0.00 0.48 0.00 0.00 55.95 55.23 3hhq s SER 25 Cb 0.12 -0.04 1.15 0.00 0.10 0.00 0.00 66.02 67.34 3hhq s SER 25 CO 0.80 -0.59 2.01 0.00 0.98 0.00 0.00 173.24 176.44 3hhq h ALA 26 N 2.22 1.53 -0.64 5.32 0.00 -2.02 -3.22 119.26 122.45 3hhq h ALA 26 Ca -0.40 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hhq h ALA 26 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hhq h ALA 26 CO 0.68 0.22 0.00 -2.37 0.00 0.00 0.00 179.25 177.77 3hhq n THR 27 N -4.07 2.04 -2.66 0.00 5.66 -1.26 -5.00 114.28 109.00 3hhq n THR 27 Ca -0.02 -1.25 -0.33 0.00 -3.05 0.00 0.00 64.05 59.40 3hhq n THR 27 Cb 0.25 0.04 -0.05 0.00 -1.55 0.00 0.00 70.33 69.02 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hhq s ALA 28 N -2.04 3.01 0.27 1.79 0.00 -1.22 -4.97 121.76 118.59 3hhq s ALA 28 Ca 0.53 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 3hhq s ALA 28 Cb 0.35 -3.16 0.36 0.00 0.00 0.00 0.00 23.12 20.67 3hhq s ALA 28 CO 0.23 -0.05 1.79 0.00 0.00 0.00 0.00 175.76 177.73 3hhq h ALA 29 N 1.58 1.16 -2.67 0.00 0.00 -1.94 -3.47 119.26 113.91 3hhq h ALA 29 Ca -0.48 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 53.90 3hhq h ALA 29 Cb 1.19 -0.21 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 3hhq h ALA 29 CO 0.61 0.56 -0.73 0.20 0.00 0.00 0.00 179.25 179.89 3hhq s GLY 30 N -3.66 0.81 0.08 0.00 0.00 -1.26 -4.46 107.32 98.83 3hhq s GLY 30 Ca -0.10 -1.19 -0.26 0.00 0.00 0.00 0.00 44.72 43.18 3hhq s GLY 30 CO 0.81 -1.26 0.80 -0.19 0.00 0.00 0.00 173.10 173.25 3hhq s TYR 31 N -2.56 3.79 0.26 1.90 1.51 -0.37 -4.19 117.35 117.69 3hhq s TYR 31 Ca 0.05 1.56 -0.30 0.00 -1.01 0.00 0.00 57.07 57.38 3hhq s TYR 31 Cb -0.02 -2.84 -0.10 0.00 -0.11 0.00 0.00 41.96 38.89 3hhq s TYR 31 CO -0.01 0.32 1.35 -0.51 -1.11 0.00 0.00 175.55 175.59 3hhq s ASP 32 N -0.31 6.77 -0.15 2.29 1.01 0.83 -0.21 116.67 126.91 3hhq s ASP 32 Ca 0.39 2.59 -0.00 0.00 0.71 0.00 0.00 52.55 56.24 3hhq s ASP 32 Cb -0.22 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.08 3hhq s ASP 32 CO 0.25 -0.58 -0.14 -0.63 0.21 0.00 0.00 175.17 174.27 3hhq s ILE 33 N -0.39 2.84 -0.12 0.77 -1.09 -0.89 -3.76 121.20 118.56 3hhq s ILE 33 Ca 0.55 -0.72 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 3hhq s ILE 33 Cb -0.39 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.26 3hhq s ILE 33 CO 0.45 0.51 -0.03 -0.31 -1.23 0.00 0.00 174.94 174.33 3hhq s TYR 34 N 0.65 3.04 0.35 3.97 2.02 -1.26 -0.38 117.35 125.74 3hhq s TYR 34 Ca -0.07 -0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.25 3hhq s TYR 34 Cb -0.16 -1.86 -0.11 0.00 -0.40 0.00 0.00 41.96 39.43 3hhq s TYR 34 CO 0.02 0.18 1.49 0.00 -1.57 0.00 0.00 175.55 175.68 3hhq s ALA 35 N -0.22 3.61 -0.62 3.71 0.00 0.16 -4.54 121.76 123.85 3hhq s ALA 35 Ca 0.04 1.53 0.19 0.00 0.00 0.00 0.00 51.96 53.72 3hhq s ALA 35 Cb -0.13 -3.60 -0.23 0.00 0.00 0.00 0.00 23.12 19.16 3hhq s ALA 35 CO 0.02 -0.99 0.68 -1.13 0.00 0.00 0.00 175.76 174.34 3hhq n SER 36 N 0.94 0.80 -3.88 0.00 3.41 -0.36 0.70 113.62 115.23 3hhq n SER 36 Ca 0.03 -0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 57.87 3hhq n SER 36 Cb 0.39 1.26 -0.11 0.00 -0.26 0.00 0.00 64.21 65.49 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 -2.92 0.34 0.41 4.33 -0.21 -1.25 -4.72 119.66 115.64 3hhq s GLN 37 Ca 0.03 -0.26 -0.26 0.00 0.02 0.00 0.00 55.36 54.89 3hhq s GLN 37 Cb 0.13 0.14 -0.09 0.00 1.00 0.00 0.00 33.01 34.20 3hhq s GLN 37 CO 0.77 -0.07 1.28 -0.51 -2.12 0.00 0.00 175.29 174.64 3hhq s ASP 38 N -0.94 6.33 -0.18 5.90 1.01 -1.26 -4.29 116.67 123.23 3hhq s ASP 38 Ca -0.10 2.60 -0.28 0.00 0.71 0.00 0.00 52.55 55.48 3hhq s ASP 38 Cb -0.06 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.34 3hhq s ASP 38 CO 0.01 -0.83 0.87 -0.51 0.21 0.00 0.00 175.17 174.91 3hhq s ILE 39 N -1.29 0.00 -0.15 0.77 1.10 -0.54 -4.97 121.20 116.13 3hhq s ILE 39 Ca 0.57 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.68 3hhq s ILE 39 Cb -0.37 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.22 3hhq s ILE 39 CO 0.47 0.00 -0.05 -0.89 -2.11 0.00 0.00 174.94 172.36 3hhq s THR 40 N -0.49 3.75 -0.36 4.00 2.01 -1.26 -1.15 115.64 122.14 3hhq s THR 40 Ca -0.03 -0.41 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 3hhq s THR 40 Cb -0.02 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.86 3hhq s THR 40 CO 0.02 0.51 0.64 -0.63 -0.69 0.00 0.00 174.62 174.46 3hhq s ILE 41 N 0.28 4.88 0.45 1.82 -1.09 -0.20 -4.85 121.20 122.50 3hhq s ILE 41 Ca -0.04 0.57 -0.24 0.00 -2.23 0.00 0.00 60.65 58.70 3hhq s ILE 41 Cb -0.14 -4.09 -0.08 0.00 -1.58 0.00 0.00 42.46 36.58 3hhq s ILE 41 CO 0.03 -0.33 1.30 -2.16 -1.23 0.00 0.00 174.94 172.56 3hhq s PRO 42 N 2.72 3.72 0.14 2.79 0.04 -1.26 -0.31 135.00 142.85 3hhq s PRO 42 Ca 0.24 2.14 -0.33 0.00 0.04 0.00 0.00 61.00 63.09 3hhq s PRO 42 Cb -0.14 -2.58 -0.17 0.00 0.04 0.00 0.00 34.50 31.65 3hhq s PRO 42 CO 0.15 -0.69 0.96 0.00 0.04 0.00 0.00 177.00 177.46 3hhq n ALA 43 N -0.26 -2.06 -1.25 8.56 0.00 -1.25 -0.49 120.51 123.76 3hhq n ALA 43 Ca 0.06 0.49 -0.11 0.00 0.00 0.00 0.00 53.44 53.88 3hhq n ALA 43 Cb 0.44 -1.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 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 1.43 -1.59 0.00 0.00 2.81 -0.43 -4.88 117.12 114.47 3hhq n MET 44 Ca 0.17 0.80 0.00 0.00 -1.81 0.00 0.00 57.70 56.85 3hhq n MET 44 Cb 0.21 -5.04 0.00 0.00 -0.71 0.00 0.00 33.22 27.67 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 0.08 5.29 2.99 3.03 0.00 0.36 -4.85 105.19 112.09 3hhq n GLY 45 Ca -0.11 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3hhq n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hhq s GLN 46 N 2.40 0.30 0.18 1.61 0.74 -1.26 -1.33 119.66 122.29 3hhq s GLN 46 Ca 0.00 -0.46 -0.07 0.00 0.05 0.00 0.00 55.36 54.88 3hhq s GLN 46 Cb 0.00 0.11 -0.02 0.00 1.10 0.00 0.00 33.01 34.20 3hhq s GLN 46 CO 0.00 -0.05 0.25 0.20 -0.55 0.00 0.00 175.29 175.14 3hhq s GLY 47 N -1.19 0.75 -0.18 2.59 0.00 -0.82 -4.48 107.32 103.99 3hhq s GLY 47 Ca -0.13 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3hhq s GLY 47 CO -0.00 -0.99 -0.15 1.06 0.00 0.00 0.00 173.10 173.03 3hhq s MET 48 N -4.02 2.42 -0.01 2.90 -1.94 -1.26 -1.51 119.30 115.88 3hhq s MET 48 Ca 0.23 -0.78 -0.23 0.00 -1.71 0.00 0.00 55.69 53.20 3hhq s MET 48 Cb 0.04 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.44 3hhq s MET 48 CO 0.04 -0.31 0.70 0.08 -0.01 0.00 0.00 175.02 175.52 3hhq s VAL 49 N 1.37 4.91 0.34 -6.03 1.01 0.23 -4.86 120.40 117.36 3hhq s VAL 49 Ca 0.02 1.46 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 3hhq s VAL 49 Cb -0.14 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 3hhq s VAL 49 CO -0.10 0.33 0.95 -0.44 0.00 0.00 0.00 175.10 175.83 3hhq s SER 50 N 0.27 7.28 0.00 3.32 0.01 -1.26 -0.62 113.70 122.70 3hhq s SER 50 Ca 0.36 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.44 3hhq s SER 50 Cb -0.19 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3hhq s SER 50 CO 0.19 -0.11 0.00 0.35 0.41 0.00 0.00 173.24 174.08 3hhq n THR 51 N 0.38 0.00 -4.22 1.44 -2.24 -1.26 -1.23 114.28 107.15 3hhq n THR 51 Ca 0.03 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 3hhq n THR 51 Cb 0.51 0.44 -0.03 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 -0.98 -2.95 -4.23 3.42 8.00 -1.26 -4.27 116.55 114.28 3hhq n ASP 52 Ca 0.00 -1.03 -0.21 0.00 0.71 0.00 0.00 54.79 54.27 3hhq n ASP 52 Cb 0.00 -2.71 -0.12 0.00 -0.02 0.00 0.00 41.12 38.27 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 -3.36 1.40 0.17 0.53 -4.36 -1.26 -2.22 121.20 112.11 3hhq s ILE 53 Ca 0.68 -1.48 0.11 0.00 -0.26 0.00 0.00 60.65 59.70 3hhq s ILE 53 Cb -0.37 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 3hhq s ILE 53 CO 0.93 -0.19 -0.24 -0.44 0.24 0.00 0.00 174.94 175.24 3hhq s SER 54 N -1.94 3.45 -0.00 4.36 0.01 -0.88 -0.47 113.70 118.23 3hhq s SER 54 Ca 0.03 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.37 3hhq s SER 54 Cb -0.09 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.88 3hhq s SER 54 CO 0.03 0.14 0.21 0.72 0.41 0.00 0.00 173.24 174.75 3hhq s PHE 55 N -1.51 -0.06 -0.30 2.43 -0.71 -1.26 0.46 117.98 117.04 3hhq s PHE 55 Ca 0.19 0.04 -0.08 0.00 -1.04 0.00 0.00 56.93 56.05 3hhq s PHE 55 Cb -0.09 0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.75 3hhq s PHE 55 CO 0.09 -0.33 0.10 0.99 -1.34 0.00 0.00 175.22 174.73 3hhq s THR 56 N -1.37 4.13 0.73 -4.49 2.01 -0.11 -4.79 115.64 111.75 3hhq s THR 56 Ca -0.14 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 3hhq s THR 56 Cb -0.07 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.33 3hhq s THR 56 CO 0.03 0.05 1.07 0.68 -0.69 0.00 0.00 174.62 175.76 3hhq s VAL 57 N 1.52 3.72 0.81 3.82 -7.23 -1.26 -0.86 120.40 120.92 3hhq s VAL 57 Ca 0.03 0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 60.63 3hhq s VAL 57 Cb -0.17 -3.19 0.08 0.00 0.56 0.00 0.00 36.38 33.66 3hhq s VAL 57 CO 0.04 -0.72 1.20 -2.84 -0.31 0.00 0.00 175.10 172.46 3hhq s PRO 58 N -4.95 1.64 0.27 4.82 0.02 -1.23 -4.89 135.00 130.69 3hhq s PRO 58 Ca 0.60 1.73 -0.31 0.00 0.02 0.00 0.00 61.00 63.04 3hhq s PRO 58 Cb -0.15 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 3hhq s PRO 58 CO 0.55 -2.20 1.60 0.28 -0.33 0.00 0.00 177.00 176.89 3hhq n VAL 59 N -3.33 0.85 -0.36 3.83 0.31 -1.26 -2.64 118.33 115.72 3hhq n VAL 59 Ca 0.13 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3hhq n VAL 59 Cb 0.51 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 2.45 0.78 3.32 2.92 0.00 -1.26 -4.96 105.19 108.44 3hhq n GLY 60 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.20 0.51 0.17 2.61 -4.23 -1.08 -1.90 115.64 109.52 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 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 3hhq s THR 61 CO 0.00 0.00 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.30 3hhq s TYR 62 N -3.73 1.33 -0.21 3.99 1.13 -0.71 -4.63 117.35 114.53 3hhq s TYR 62 Ca 0.37 -0.83 -0.18 0.00 -1.41 0.00 0.00 57.07 55.02 3hhq s TYR 62 Cb 0.07 -0.72 -0.03 0.00 -1.10 0.00 0.00 41.96 40.19 3hhq s TYR 62 CO 0.14 0.02 0.52 0.20 -2.51 0.00 0.00 175.55 173.92 3hhq s GLY 63 N -3.20 2.04 -0.23 5.49 0.00 -0.84 -1.19 107.32 109.39 3hhq s GLY 63 Ca 0.20 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.42 3hhq s GLY 63 CO 0.03 1.10 0.08 -1.60 0.00 0.00 0.00 173.10 172.71 3hhq s ARG 64 N 1.72 3.79 -0.38 2.90 3.52 0.06 -0.85 118.95 129.71 3hhq s ARG 64 Ca 0.24 -0.42 -0.25 0.00 -0.13 0.00 0.00 55.73 55.17 3hhq s ARG 64 Cb -0.15 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3hhq s ARG 64 CO 0.09 -0.05 0.86 0.42 -0.81 0.00 0.00 175.30 175.82 3hhq s ILE 65 N 1.25 4.64 0.17 4.11 -1.09 -0.21 -0.52 121.20 129.56 3hhq s ILE 65 Ca 0.05 1.00 0.07 0.00 -2.23 0.00 0.00 60.65 59.54 3hhq s ILE 65 Cb -0.14 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 3hhq s ILE 65 CO 0.04 -0.52 -0.16 0.00 -1.23 0.00 0.00 174.94 173.07 3hhq s ALA 66 N 3.32 1.86 0.45 9.38 0.00 0.47 -4.57 121.76 132.67 3hhq s ALA 66 Ca 0.35 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.58 3hhq s ALA 66 Cb -0.12 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 3hhq s ALA 66 CO 0.19 0.13 1.17 -1.25 0.00 0.00 0.00 175.76 175.99 3hhq s PRO 67 N -3.09 3.81 -0.29 0.00 0.04 -1.26 -0.46 135.00 133.75 3hhq s PRO 67 Ca 0.16 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.75 3hhq s PRO 67 Cb -0.03 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3hhq s PRO 67 CO 0.05 -0.51 0.83 1.03 0.04 0.00 0.00 177.00 178.44 3hhq s ARG 68 N -2.63 4.04 0.32 4.56 0.52 -1.26 -4.69 118.95 119.82 3hhq s ARG 68 Ca 0.62 0.74 0.07 0.00 -0.52 0.00 0.00 55.73 56.65 3hhq s ARG 68 Cb -0.29 -3.70 0.78 0.00 0.52 0.00 0.00 34.95 32.26 3hhq s ARG 68 CO 0.35 -0.64 1.80 0.77 0.02 0.00 0.00 175.30 177.60 3hhq h SER 69 N 7.97 0.74 -0.20 0.23 0.02 -1.95 -1.01 113.55 119.34 3hhq h SER 69 Ca -0.24 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3hhq h SER 69 Cb 1.09 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3hhq h SER 69 CO 0.89 0.28 0.13 1.23 -1.14 0.00 0.00 176.83 178.23 3hhq h GLY 70 N 0.73 0.28 1.69 -3.77 0.00 -1.98 -1.44 103.07 98.58 3hhq h GLY 70 Ca 0.55 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 3hhq h GLY 70 CO -0.33 0.10 -0.03 1.41 0.00 0.00 0.00 176.54 177.70 3hhq h LEU 71 N 0.27 0.36 0.23 3.11 3.38 -1.55 0.07 115.31 121.19 3hhq h LEU 71 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hhq h LEU 71 Cb -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hhq h LEU 71 CO -0.02 0.45 -0.11 0.00 0.09 0.00 0.00 178.44 178.85 3hhq h ALA 72 N 1.60 -0.31 -0.60 1.53 0.00 -1.20 0.28 119.26 120.56 3hhq h ALA 72 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3hhq h ALA 72 Cb 0.30 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hhq h ALA 72 CO 0.01 -0.52 0.13 0.28 0.00 0.00 0.00 179.25 179.15 3hhq h VAL 73 N -0.62 1.25 0.00 0.00 2.07 -1.05 -2.18 116.25 115.72 3hhq h VAL 73 Ca -0.03 -0.93 -0.33 0.00 0.82 0.00 0.00 66.70 66.22 3hhq h VAL 73 Cb 0.45 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 3hhq h VAL 73 CO 0.05 0.35 -2.11 0.29 0.02 0.00 0.00 177.57 176.17 3hhq n LYS 74 N -4.34 0.67 0.00 1.57 5.02 -0.01 -4.62 118.16 116.45 3hhq n LYS 74 Ca 0.03 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3hhq n LYS 74 Cb 0.25 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.86 1.07 -0.41 4.39 3.02 0.92 -4.99 115.26 116.39 3hhq n ASN 75 Ca -0.26 -1.47 -0.05 0.00 -0.03 0.00 0.00 54.58 52.76 3hhq n ASN 75 Cb 1.11 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 40.26 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 -0.24 0.72 3.78 7.41 0.00 -0.82 -4.28 105.19 111.76 3hhq n GLY 76 Ca 0.00 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 4.79 -0.02 -0.61 -1.09 -0.80 -0.10 121.20 121.17 3hhq s ILE 77 Ca 0.00 1.30 -0.01 0.00 -2.23 0.00 0.00 60.65 59.71 3hhq s ILE 77 Cb 0.00 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 3hhq s ILE 77 CO 0.00 0.47 0.05 -1.58 -1.23 0.00 0.00 174.94 172.65 3hhq s GLN 78 N -0.59 0.04 0.31 2.79 2.00 -0.60 -3.55 119.66 120.06 3hhq s GLN 78 Ca 0.31 0.10 -0.20 0.00 -2.00 0.00 0.00 55.36 53.57 3hhq s GLN 78 Cb -0.19 -0.02 -0.09 0.00 0.80 0.00 0.00 33.01 33.50 3hhq s GLN 78 CO 0.19 -0.04 0.81 0.95 -0.50 0.00 0.00 175.29 176.71 3hhq s THR 79 N 0.22 4.50 0.53 -0.34 -4.23 -1.26 0.78 115.64 115.85 3hhq s THR 79 Ca -0.02 1.32 0.04 0.00 -1.18 0.00 0.00 61.69 61.85 3hhq s THR 79 Cb -0.03 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 70.10 3hhq s THR 79 CO -0.01 -0.03 0.36 0.61 -0.54 0.00 0.00 174.62 175.01 3hhq n GLY 80 N 0.09 2.84 7.00 3.99 0.00 0.75 -4.84 105.19 115.03 3hhq n GLY 80 Ca 0.02 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.83 0.00 0.00 4.61 0.00 -1.26 -4.42 120.51 117.62 3hhq n ALA 81 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hhq n ALA 81 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 1.08 3.41 0.00 0.00 -1.26 -4.93 105.19 103.48 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 -2.16 4.63 -0.28 1.61 1.01 -1.26 -1.04 120.40 122.90 3hhq s VAL 83 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 3hhq s VAL 83 Cb 0.00 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 3hhq s VAL 83 CO 0.00 -1.28 0.46 -0.69 0.00 0.00 0.00 175.10 173.59 3hhq s VAL 84 N 3.19 5.10 0.39 2.92 1.01 -0.03 -5.02 120.40 127.95 3hhq s VAL 84 Ca 0.17 0.63 -0.21 0.00 0.00 0.00 0.00 61.98 62.58 3hhq s VAL 84 Cb -0.20 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 3hhq s VAL 84 CO 0.06 0.04 0.91 -1.81 0.00 0.00 0.00 175.10 174.31 3hhq s ASP 85 N 1.63 6.99 0.63 3.32 1.11 -1.26 -1.99 116.67 127.09 3hhq s ASP 85 Ca 0.18 1.65 0.34 0.00 0.18 0.00 0.00 52.55 54.90 3hhq s ASP 85 Cb -0.16 -2.52 1.91 0.00 1.07 0.00 0.00 42.92 43.23 3hhq s ASP 85 CO 0.10 -0.28 2.18 -0.09 1.18 0.00 0.00 175.17 178.26 3hhq h ARG 86 N 2.22 0.00 -0.28 8.23 2.43 -1.91 -1.43 114.38 123.64 3hhq h ARG 86 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3hhq h ARG 86 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3hhq h ARG 86 CO 0.62 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.68 3hhq n ASP 87 N -3.45 2.43 -4.68 -3.80 3.85 -1.26 -4.56 116.55 105.08 3hhq n ASP 87 Ca -0.01 -1.85 -0.43 0.00 -0.71 0.00 0.00 54.79 51.79 3hhq n ASP 87 Cb 0.22 -0.18 -0.02 0.00 -1.35 0.00 0.00 41.12 39.79 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 -1.64 3.48 -0.22 2.11 5.04 -0.54 -4.93 117.35 120.65 3hhq s TYR 88 Ca 0.34 1.56 0.02 0.00 -2.44 0.00 0.00 57.07 56.56 3hhq s TYR 88 Cb 0.19 -3.21 0.05 0.00 0.35 0.00 0.00 41.96 39.34 3hhq s TYR 88 CO 0.28 -0.31 0.89 0.25 -1.34 0.00 0.00 175.55 175.32 3hhq n THR 89 N 4.65 0.66 -1.87 4.34 -2.24 -1.26 -4.61 114.28 113.96 3hhq n THR 89 Ca 0.09 -0.83 -0.23 0.00 -2.27 0.00 0.00 64.05 60.81 3hhq n THR 89 Cb 0.48 0.68 0.16 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.15 -1.15 3.76 3.38 0.00 -1.26 -4.89 105.19 104.88 3hhq n GLY 90 Ca 0.02 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 -5.29 4.45 -0.63 1.61 2.12 -1.26 -4.49 118.70 115.20 3hhq s GLU 91 Ca 0.61 2.08 -0.22 0.00 0.36 0.00 0.00 54.97 57.80 3hhq s GLU 91 Cb -0.02 -3.12 0.07 0.00 0.26 0.00 0.00 34.13 31.33 3hhq s GLU 91 CO 0.43 -0.07 0.91 0.08 -0.54 0.00 0.00 175.26 176.07 3hhq s VAL 92 N -1.04 4.42 0.30 3.70 1.01 0.38 -5.00 120.40 124.17 3hhq s VAL 92 Ca 0.48 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3hhq s VAL 92 Cb -0.37 -4.63 -0.07 0.00 0.00 0.00 0.00 36.38 31.31 3hhq s VAL 92 CO 0.48 -1.36 0.62 -0.54 0.00 0.00 0.00 175.10 174.31 3hhq s LYS 93 N 3.81 3.76 -0.26 2.72 1.02 -1.26 -4.32 119.74 125.22 3hhq s LYS 93 Ca 0.21 0.28 -0.09 0.00 0.02 0.00 0.00 55.97 56.38 3hhq s LYS 93 Cb -0.18 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 3hhq s LYS 93 CO 0.11 0.18 0.14 0.08 -0.92 0.00 0.00 175.35 174.94 3hhq s VAL 94 N -2.05 4.94 -0.06 3.17 1.01 0.21 -4.91 120.40 122.70 3hhq s VAL 94 Ca 0.48 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.23 3hhq s VAL 94 Cb -0.11 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3hhq s VAL 94 CO 0.26 0.31 0.87 -0.69 0.00 0.00 0.00 175.10 175.84 3hhq s VAL 95 N 1.51 4.92 -0.06 2.92 1.01 -1.26 0.74 120.40 130.19 3hhq s VAL 95 Ca 0.06 1.78 0.04 0.00 0.00 0.00 0.00 61.98 63.86 3hhq s VAL 95 Cb -0.15 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3hhq s VAL 95 CO 0.07 0.15 -0.16 -0.76 0.00 0.00 0.00 175.10 174.39 3hhq s LEU 96 N 1.27 1.86 -0.07 3.92 1.43 -0.57 -0.17 118.68 126.35 3hhq s LEU 96 Ca 0.44 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3hhq s LEU 96 Cb -0.19 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 3hhq s LEU 96 CO 0.21 0.12 0.09 -0.36 0.23 0.00 0.00 176.35 176.64 3hhq s PHE 97 N 0.26 3.39 -0.30 0.29 0.40 0.23 -1.94 117.98 120.32 3hhq s PHE 97 Ca -0.09 0.33 -0.06 0.00 -0.60 0.00 0.00 56.93 56.52 3hhq s PHE 97 Cb -0.13 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.58 3hhq s PHE 97 CO 0.03 0.61 0.06 1.21 0.70 0.00 0.00 175.22 177.83 3hhq s ASN 98 N -1.29 5.03 0.00 1.36 3.84 -0.44 -1.56 114.94 121.88 3hhq s ASN 98 Ca 0.18 -0.83 0.27 0.00 0.21 0.00 0.00 52.86 52.68 3hhq s ASN 98 Cb -0.12 -1.84 0.79 0.00 -0.55 0.00 0.00 41.25 39.53 3hhq s ASN 98 CO 0.08 -0.21 1.59 1.41 -2.79 0.00 0.00 177.10 177.18 3hhq n HIS 99 N 4.82 0.00 -2.27 0.43 8.25 0.86 -1.37 115.22 125.93 3hhq n HIS 99 Ca -0.14 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 3hhq n HIS 99 Cb 0.47 -0.13 0.10 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.49 4.37 -0.04 0.41 1.04 -1.26 -4.70 113.70 111.02 3hhq s SER 100 Ca 0.25 0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.93 3hhq s SER 100 Cb 0.19 -0.64 0.31 0.00 0.10 0.00 0.00 66.02 65.98 3hhq s SER 100 CO 0.51 -1.88 1.16 0.00 0.98 0.00 0.00 173.24 174.02 3hhq n GLN 101 N -3.04 2.09 -4.92 4.02 1.13 -1.26 -1.31 117.38 114.09 3hhq n GLN 101 Ca 0.11 -1.22 -0.26 0.00 -1.94 0.00 0.00 57.00 53.69 3hhq n GLN 101 Cb 0.60 -1.47 -0.16 0.00 0.11 0.00 0.00 30.24 29.33 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 -1.64 1.62 0.40 -1.09 3.00 -1.26 -4.91 118.95 115.06 3hhq s ARG 102 Ca 0.22 -0.68 -0.26 0.00 0.00 0.00 0.00 55.73 55.02 3hhq s ARG 102 Cb 0.14 -1.53 -0.09 0.00 0.00 0.00 0.00 34.95 33.47 3hhq s ARG 102 CO 0.12 0.38 1.21 -0.51 0.00 0.00 0.00 175.30 176.50 3hhq s ASP 103 N -0.36 6.48 -0.42 0.23 -0.00 -1.26 -3.84 116.67 117.50 3hhq s ASP 103 Ca 0.05 2.44 -0.10 0.00 -0.00 0.00 0.00 52.55 54.94 3hhq s ASP 103 Cb -0.08 -2.62 0.07 0.00 -0.00 0.00 0.00 42.92 40.28 3hhq s ASP 103 CO -0.00 -0.71 0.26 0.12 -0.00 0.00 0.00 175.17 174.84 3hhq s PHE 104 N -1.36 3.31 -0.25 4.23 2.19 0.57 -4.90 117.98 121.77 3hhq s PHE 104 Ca 0.57 -1.35 -0.29 0.00 0.33 0.00 0.00 56.93 56.18 3hhq s PHE 104 Cb -0.33 -2.87 -0.01 0.00 -1.31 0.00 0.00 43.02 38.50 3hhq s PHE 104 CO 0.42 -0.80 1.33 0.00 1.83 0.00 0.00 175.22 178.00 3hhq s ALA 105 N 1.47 3.43 -0.17 11.12 0.00 -1.26 -1.03 121.76 135.33 3hhq s ALA 105 Ca 0.03 0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.18 3hhq s ALA 105 Cb -0.22 -3.75 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 3hhq s ALA 105 CO 0.03 -1.64 -0.01 0.42 0.00 0.00 0.00 175.76 174.56 3hhq s ILE 106 N 4.25 4.04 0.14 0.00 1.01 -0.30 -5.02 121.20 125.32 3hhq s ILE 106 Ca 0.58 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.97 3hhq s ILE 106 Cb -0.19 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3hhq s ILE 106 CO 0.22 0.47 0.11 -0.54 0.00 0.00 0.00 174.94 175.20 3hhq s LYS 107 N 0.50 2.88 -0.12 2.79 -0.14 -1.26 -1.46 119.74 122.91 3hhq s LYS 107 Ca -0.02 -0.82 -0.40 0.00 -1.36 0.00 0.00 55.97 53.37 3hhq s LYS 107 Cb -0.14 -2.66 -0.19 0.00 -1.68 0.00 0.00 37.83 33.15 3hhq s LYS 107 CO 0.02 0.51 1.17 1.17 -0.76 0.00 0.00 175.35 177.46 3hhq n LYS 108 N -0.08 0.00 0.00 1.68 4.81 -1.26 -1.39 118.16 121.92 3hhq n LYS 108 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3hhq n LYS 108 Cb 0.54 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.13 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 2.07 1.93 3.77 3.14 0.00 0.22 -4.97 105.19 111.35 3hhq n GLY 109 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.46 7.22 -0.05 1.61 1.01 -0.48 -4.78 116.67 119.73 3hhq s ASP 110 Ca 0.00 2.09 -0.30 0.00 0.71 0.00 0.00 52.55 55.05 3hhq s ASP 110 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 3hhq s ASP 110 CO 0.00 -0.17 1.03 -0.13 0.21 0.00 0.00 175.17 176.11 3hhq s ARG 111 N -1.75 4.47 0.00 8.23 0.52 -1.26 -0.67 118.95 128.49 3hhq s ARG 111 Ca 0.48 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 3hhq s ARG 111 Cb -0.27 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.70 3hhq s ARG 111 CO 0.34 -0.23 0.08 1.33 0.02 0.00 0.00 175.30 176.83 3hhq n VAL 112 N 4.28 0.00 -3.81 3.52 0.24 0.48 -4.94 118.33 118.11 3hhq n VAL 112 Ca 0.08 -0.40 -0.01 0.00 -2.04 0.00 0.00 64.34 61.98 3hhq n VAL 112 Cb 0.49 1.04 0.01 0.00 -1.47 0.00 0.00 33.84 33.91 3hhq n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhq n ALA 113 N -0.64 -1.93 -2.98 2.33 0.00 -1.20 -4.64 120.51 111.44 3hhq n ALA 113 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.74 3hhq n ALA 113 Cb 0.01 0.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 3hhq n ALA 113 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3hhq s GLN 114 N -2.02 0.46 -0.24 0.00 -2.07 0.39 -2.10 119.66 114.08 3hhq s GLN 114 Ca 0.16 -0.54 -0.09 0.00 -1.82 0.00 0.00 55.36 53.08 3hhq s GLN 114 Cb -0.01 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 3hhq s GLN 114 CO 0.02 -0.11 0.12 -1.17 -1.32 0.00 0.00 175.29 172.83 3hhq s LEU 115 N -1.58 3.83 -0.10 2.60 2.96 0.71 -0.40 118.68 126.71 3hhq s LEU 115 Ca -0.13 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3hhq s LEU 115 Cb -0.07 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3hhq s LEU 115 CO -0.00 0.04 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.28 3hhq s ILE 116 N 1.20 2.90 -0.99 6.68 1.01 0.32 -1.23 121.20 131.09 3hhq s ILE 116 Ca 0.06 -0.74 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 3hhq s ILE 116 Cb -0.14 -2.17 0.12 0.00 0.01 0.00 0.00 42.46 40.28 3hhq s ILE 116 CO 0.05 0.55 1.23 -0.76 0.00 0.00 0.00 174.94 176.00 3hhq s LEU 117 N -0.01 4.82 -0.16 2.97 1.43 -1.26 -0.76 118.68 125.71 3hhq s LEU 117 Ca -0.04 -2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 50.66 3hhq s LEU 117 Cb -0.14 -2.43 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 3hhq s LEU 117 CO 0.04 -1.08 1.08 -1.61 0.23 0.00 0.00 176.35 175.01 3hhq s GLU 118 N 2.88 4.32 0.39 1.70 0.41 -0.33 -4.87 118.70 123.19 3hhq s GLU 118 Ca 0.36 1.45 -0.24 0.00 -0.41 0.00 0.00 54.97 56.13 3hhq s GLU 118 Cb -0.04 -3.62 -0.09 0.00 -1.78 0.00 0.00 34.13 28.61 3hhq s GLU 118 CO -0.08 -0.53 1.07 0.15 -0.49 0.00 0.00 175.26 175.38 3hhq s LYS 119 N 2.77 4.17 0.11 1.61 1.02 -1.26 -1.74 119.74 126.42 3hhq s LYS 119 Ca 0.48 1.57 -0.11 0.00 0.02 0.00 0.00 55.97 57.92 3hhq s LYS 119 Cb -0.18 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 3hhq s LYS 119 CO 0.13 -0.15 0.28 0.96 -0.92 0.00 0.00 175.35 175.64 3hhq s ILE 120 N -1.60 0.11 -0.33 2.17 -4.36 -0.80 -4.96 121.20 111.43 3hhq s ILE 120 Ca 0.57 -0.99 -0.20 0.00 -0.26 0.00 0.00 60.65 59.77 3hhq s ILE 120 Cb -0.24 -1.33 -0.00 0.00 1.25 0.00 0.00 42.46 42.14 3hhq s ILE 120 CO 0.30 -0.50 0.62 -0.69 0.24 0.00 0.00 174.94 174.91 3hhq s VAL 121 N -3.85 4.92 -0.61 8.37 1.01 -1.26 -4.70 120.40 124.27 3hhq s VAL 121 Ca 0.05 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.80 3hhq s VAL 121 Cb 0.04 -4.03 0.13 0.00 0.00 0.00 0.00 36.38 32.51 3hhq s VAL 121 CO -0.10 -0.22 0.98 -0.90 0.00 0.00 0.00 175.10 174.85 3hhq n ASP 122 N 5.94 2.15 -1.64 3.32 3.85 -1.26 -4.45 116.55 124.46 3hhq n ASP 122 Ca -0.01 -1.73 -0.13 0.00 -0.71 0.00 0.00 54.79 52.21 3hhq n ASP 122 Cb 0.49 -0.08 0.08 0.00 -1.35 0.00 0.00 41.12 40.25 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 0.17 3.65 -4.38 -1.12 3.85 -1.26 -5.11 116.55 112.35 3hhq n ASP 123 Ca 0.05 -3.63 -0.39 0.00 -0.71 0.00 0.00 54.79 50.11 3hhq n ASP 123 Cb 0.28 -0.40 0.02 0.00 -1.35 0.00 0.00 41.12 39.67 3hhq n ASP 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hhq n ALA 124 N -0.79 -1.95 -3.53 2.12 0.00 -1.26 -4.98 120.51 110.12 3hhq n ALA 124 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 3hhq n ALA 124 Cb 0.88 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 3hhq n ALA 124 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hhq s GLN 125 N -1.58 2.76 0.08 0.00 -0.21 -1.26 -5.07 119.66 114.37 3hhq s GLN 125 Ca 0.63 -2.08 -0.31 0.00 0.02 0.00 0.00 55.36 53.63 3hhq s GLN 125 Cb -0.49 -4.01 -0.09 0.00 1.00 0.00 0.00 33.01 29.42 3hhq s GLN 125 CO 0.59 -1.22 1.68 0.42 -2.12 0.00 0.00 175.29 174.64 3hhq s ILE 126 N 0.81 2.97 -0.07 1.08 1.01 -1.26 -5.02 121.20 120.72 3hhq s ILE 126 Ca 0.11 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.21 3hhq s ILE 126 Cb -0.22 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 38.99 3hhq s ILE 126 CO -0.03 -0.00 -0.15 -0.69 0.00 0.00 0.00 174.94 174.07 3hhq s VAL 127 N 2.68 1.36 -0.12 2.92 1.01 -1.26 -5.12 120.40 121.87 3hhq s VAL 127 Ca 0.75 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 3hhq s VAL 127 Cb -0.41 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3hhq s VAL 127 CO 0.33 0.40 0.67 -0.69 0.00 0.00 0.00 175.10 175.81 3hhq s VAL 128 N 0.51 5.04 0.21 2.92 1.01 -1.26 -5.08 120.40 123.76 3hhq s VAL 128 Ca -0.14 1.33 0.05 0.00 0.00 0.00 0.00 61.98 63.22 3hhq s VAL 128 Cb -0.16 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3hhq s VAL 128 CO 0.05 0.20 -0.06 0.68 0.00 0.00 0.00 175.10 175.97 3hhq s VAL 129 N 1.22 1.25 0.17 2.92 -7.23 -1.26 -5.07 120.40 112.40 3hhq s VAL 129 Ca 0.34 -2.08 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 3hhq s VAL 129 Cb -0.17 -2.17 0.04 0.00 0.56 0.00 0.00 36.38 34.64 3hhq s VAL 129 CO 0.14 -0.48 1.60 -0.78 -0.31 0.00 0.00 175.10 175.27 3hhq h ASP 130 N 2.55 1.00 -5.01 4.85 3.58 -2.10 -3.46 116.42 117.83 3hhq h ASP 130 Ca -0.38 -0.33 -0.07 0.00 0.42 0.00 0.00 57.03 56.66 3hhq h ASP 130 Cb 1.21 -0.27 -0.18 0.00 1.72 0.00 0.00 39.33 41.82 3hhq h ASP 130 CO 0.64 1.09 -0.02 -0.94 -2.88 0.00 0.00 179.24 177.14 3hhq s SER 131 N -6.56 -0.41 0.00 2.28 1.04 -1.26 -5.36 113.70 103.43 3hhq s SER 131 Ca -0.12 0.23 0.29 0.00 0.48 0.00 0.00 55.95 56.84 3hhq s SER 131 Cb 0.13 0.45 1.31 0.00 0.10 0.00 0.00 66.02 68.02 3hhq s SER 131 CO 0.85 -0.64 1.89 0.18 0.98 0.00 0.00 173.24 176.51