#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 4.93 -0.39 3.15 1.01 -1.26 -4.87 120.40 122.98 3hhq s VAL 8 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 3hhq s VAL 8 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3hhq s VAL 8 CO 0.00 0.55 0.45 -0.22 0.00 0.00 0.00 175.10 175.88 3hhq s LEU 9 N -0.41 4.60 -0.11 3.92 2.96 -1.26 -3.25 118.68 125.14 3hhq s LEU 9 Ca 0.10 -0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 53.46 3hhq s LEU 9 Cb -0.12 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 3hhq s LEU 9 CO 0.02 -0.51 0.44 -0.54 -1.32 0.00 0.00 176.35 174.43 3hhq s LYS 10 N 2.22 4.27 -0.06 1.98 1.02 -0.77 -4.95 119.74 123.46 3hhq s LYS 10 Ca 0.14 0.39 0.05 0.00 0.02 0.00 0.00 55.97 56.58 3hhq s LYS 10 Cb -0.16 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 3hhq s LYS 10 CO 0.13 0.25 -0.23 0.42 -0.92 0.00 0.00 175.35 175.00 3hhq s ILE 11 N 0.34 2.20 -0.21 2.17 -1.09 -1.26 -1.80 121.20 121.56 3hhq s ILE 11 Ca 0.24 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 3hhq s ILE 11 Cb -0.15 -1.81 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 3hhq s ILE 11 CO 0.10 0.57 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.64 3hhq s GLN 12 N -0.16 2.74 -0.13 2.79 0.74 -0.28 -5.02 119.66 120.35 3hhq s GLN 12 Ca -0.03 -1.01 -0.27 0.00 0.05 0.00 0.00 55.36 54.10 3hhq s GLN 12 Cb -0.14 -2.71 -0.02 0.00 1.10 0.00 0.00 33.01 31.25 3hhq s GLN 12 CO 0.04 -0.34 0.88 -0.51 -0.55 0.00 0.00 175.29 174.81 3hhq s LEU 13 N 1.23 4.23 0.00 3.68 1.43 -1.26 -1.41 118.68 126.57 3hhq s LEU 13 Ca 0.00 1.31 0.22 0.00 -1.03 0.00 0.00 54.13 54.63 3hhq s LEU 13 Cb -0.16 -3.33 -0.22 0.00 0.03 0.00 0.00 46.19 42.51 3hhq s LEU 13 CO -0.10 -0.37 0.74 0.54 0.23 0.00 0.00 176.35 177.39 3hhq n ARG 14 N 4.90 0.36 -3.98 1.70 1.74 0.23 -4.96 116.66 116.65 3hhq n ARG 14 Ca 0.05 -0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 3hhq n ARG 14 Cb 0.49 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 3hhq n ARG 14 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hhq s SER 15 N -3.90 0.42 0.09 0.55 1.04 -1.25 -5.01 113.70 105.65 3hhq s SER 15 Ca -0.00 -1.25 0.26 0.00 0.48 0.00 0.00 55.95 55.44 3hhq s SER 15 Cb 0.15 0.71 1.01 0.00 0.10 0.00 0.00 66.02 67.98 3hhq s SER 15 CO 0.87 -1.38 1.81 0.00 0.98 0.00 0.00 173.24 175.52 3hhq n ALA 16 N -0.52 2.19 0.40 5.32 0.00 -1.26 -2.57 120.51 124.07 3hhq n ALA 16 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.50 3hhq n ALA 16 Cb 0.61 -1.44 0.46 0.00 0.00 0.00 0.00 19.45 19.09 3hhq n ALA 16 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hhq h SER 17 N 0.00 0.00 -4.08 0.00 0.02 -1.95 -3.46 113.55 104.08 3hhq h SER 17 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 3hhq h SER 17 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3hhq h SER 17 CO 0.00 0.00 0.36 0.00 -1.14 0.00 0.00 176.83 176.05 3hhq s ALA 18 N -3.33 2.97 -0.05 3.77 0.00 -1.06 -4.44 121.76 119.63 3hhq s ALA 18 Ca 0.06 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.52 3hhq s ALA 18 Cb 0.09 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3hhq s ALA 18 CO 0.53 -0.09 -0.20 0.99 0.00 0.00 0.00 175.76 176.98 3hhq s THR 19 N -2.16 1.68 0.12 0.00 2.01 -1.26 -4.98 115.64 111.04 3hhq s THR 19 Ca 0.64 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 61.47 3hhq s THR 19 Cb -0.12 -1.43 -0.10 0.00 0.01 0.00 0.00 72.50 70.86 3hhq s THR 19 CO 0.18 0.48 1.84 -0.69 -0.69 0.00 0.00 174.62 175.73 3hhq s VAL 20 N -0.08 2.56 0.52 3.82 1.01 -1.26 -4.74 120.40 122.22 3hhq s VAL 20 Ca -0.03 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 3hhq s VAL 20 Cb -0.12 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 3hhq s VAL 20 CO 0.02 -0.00 0.81 -2.65 0.00 0.00 0.00 175.10 173.29 3hhq n PRO 21 N 5.79 0.90 -4.26 2.72 -0.02 -1.26 -5.01 135.00 133.86 3hhq n PRO 21 Ca 0.18 0.34 -0.18 0.00 -2.02 0.00 0.00 63.50 61.82 3hhq n PRO 21 Cb 0.38 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.49 0.88 -0.06 3.45 -4.23 -1.22 -4.86 115.64 108.11 3hhq s THR 22 Ca 0.69 -0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 60.28 3hhq s THR 22 Cb -0.49 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 3hhq s THR 22 CO 0.53 -0.07 0.04 -0.54 -0.54 0.00 0.00 174.62 174.04 3hhq s LYS 23 N -1.09 3.04 0.00 3.99 1.02 -1.26 -0.14 119.74 125.30 3hhq s LYS 23 Ca -0.01 -0.41 0.21 0.00 0.02 0.00 0.00 55.97 55.78 3hhq s LYS 23 Cb -0.07 -2.84 0.11 0.00 -0.52 0.00 0.00 37.83 34.50 3hhq s LYS 23 CO 0.01 0.69 1.13 0.41 -0.92 0.00 0.00 175.35 176.67 3hhq n GLY 24 N 1.84 0.51 3.35 -3.33 0.00 -1.26 -4.94 105.19 101.37 3hhq n GLY 24 Ca -0.17 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 3hhq n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hhq s SER 25 N -1.96 -0.42 0.41 1.61 0.15 -1.26 -5.05 113.70 107.17 3hhq s SER 25 Ca 0.22 0.59 0.09 0.00 0.70 0.00 0.00 55.95 57.55 3hhq s SER 25 Cb 0.17 0.64 0.85 0.00 -1.71 0.00 0.00 66.02 65.98 3hhq s SER 25 CO 0.35 -0.36 2.00 0.00 1.20 0.00 0.00 173.24 176.43 3hhq h ALA 26 N 4.34 1.63 -0.11 5.45 0.00 -2.02 -2.77 119.26 125.79 3hhq h ALA 26 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hhq h ALA 26 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hhq h ALA 26 CO 0.31 0.28 0.00 0.25 0.00 0.00 0.00 179.25 180.10 3hhq n THR 27 N -4.39 0.13 -1.57 0.00 -2.24 -1.26 -4.99 114.28 99.97 3hhq n THR 27 Ca 0.01 -0.57 -0.40 0.00 -2.27 0.00 0.00 64.05 60.82 3hhq n THR 27 Cb 0.16 1.32 0.02 0.00 -2.10 0.00 0.00 70.33 69.74 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hhq n ALA 28 N 1.25 -0.28 0.16 6.98 0.00 -1.05 -4.88 120.51 122.69 3hhq n ALA 28 Ca 0.14 0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.75 3hhq n ALA 28 Cb 0.55 -2.00 0.23 0.00 0.00 0.00 0.00 19.45 18.23 3hhq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hhq h ALA 29 N 1.06 0.93 -2.30 0.00 0.00 -1.94 -3.47 119.26 113.54 3hhq h ALA 29 Ca -0.45 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 53.80 3hhq h ALA 29 Cb 1.36 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 3hhq h ALA 29 CO 0.54 0.62 -0.70 0.20 0.00 0.00 0.00 179.25 179.91 3hhq s GLY 30 N -4.42 0.69 -0.14 0.00 0.00 -1.26 -4.29 107.32 97.89 3hhq s GLY 30 Ca -0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 44.72 43.39 3hhq s GLY 30 CO 0.72 -1.38 0.05 -0.19 0.00 0.00 0.00 173.10 172.31 3hhq s TYR 31 N -3.51 3.27 0.29 1.90 1.51 -0.18 -4.61 117.35 116.03 3hhq s TYR 31 Ca 0.09 0.16 -0.30 0.00 -1.01 0.00 0.00 57.07 56.02 3hhq s TYR 31 Cb 0.05 -1.97 -0.11 0.00 -0.11 0.00 0.00 41.96 39.82 3hhq s TYR 31 CO -0.05 0.33 1.49 -0.51 -1.11 0.00 0.00 175.55 175.69 3hhq s ASP 32 N -0.20 6.52 -0.15 2.29 1.01 0.81 0.29 116.67 127.23 3hhq s ASP 32 Ca 0.07 2.83 -0.04 0.00 0.71 0.00 0.00 52.55 56.12 3hhq s ASP 32 Cb -0.12 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 3hhq s ASP 32 CO 0.01 -0.79 -0.02 -0.63 0.21 0.00 0.00 175.17 173.96 3hhq s ILE 33 N -0.32 4.06 -0.12 0.77 1.01 -0.21 -3.44 121.20 122.95 3hhq s ILE 33 Ca 0.58 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 3hhq s ILE 33 Cb -0.44 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3hhq s ILE 33 CO 0.49 0.50 -0.06 -0.31 0.00 0.00 0.00 174.94 175.56 3hhq s TYR 34 N 0.27 2.98 0.31 3.97 2.02 -1.26 -0.92 117.35 124.71 3hhq s TYR 34 Ca -0.02 -0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.19 3hhq s TYR 34 Cb -0.14 -1.85 -0.10 0.00 -0.40 0.00 0.00 41.96 39.47 3hhq s TYR 34 CO 0.02 0.10 1.37 0.00 -1.57 0.00 0.00 175.55 175.47 3hhq s ALA 35 N -0.11 3.55 -0.54 3.71 0.00 0.38 -4.59 121.76 124.16 3hhq s ALA 35 Ca 0.02 1.32 0.21 0.00 0.00 0.00 0.00 51.96 53.50 3hhq s ALA 35 Cb -0.13 -3.52 -0.28 0.00 0.00 0.00 0.00 23.12 19.19 3hhq s ALA 35 CO 0.03 -0.72 0.69 -1.13 0.00 0.00 0.00 175.76 174.63 3hhq n SER 36 N 1.29 0.56 -4.26 0.00 3.41 0.87 0.21 113.62 115.68 3hhq n SER 36 Ca 0.02 -0.53 -0.21 0.00 -0.26 0.00 0.00 58.87 57.89 3hhq n SER 36 Cb 0.41 1.46 -0.12 0.00 -0.26 0.00 0.00 64.21 65.70 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 -3.22 1.08 0.37 4.33 -0.21 -1.24 -4.76 119.66 116.01 3hhq s GLN 37 Ca 0.01 -1.20 -0.25 0.00 0.02 0.00 0.00 55.36 53.93 3hhq s GLN 37 Cb 0.15 -1.15 -0.09 0.00 1.00 0.00 0.00 33.01 32.92 3hhq s GLN 37 CO 0.88 0.25 1.01 -0.51 -2.12 0.00 0.00 175.29 174.79 3hhq s ASP 38 N -2.20 7.00 -0.09 5.90 1.11 -1.26 -3.79 116.67 123.34 3hhq s ASP 38 Ca 0.08 1.97 -0.30 0.00 0.18 0.00 0.00 52.55 54.48 3hhq s ASP 38 Cb -0.08 -2.58 0.11 0.00 1.07 0.00 0.00 42.92 41.44 3hhq s ASP 38 CO 0.04 -0.32 0.89 -0.51 1.18 0.00 0.00 175.17 176.46 3hhq s ILE 39 N -1.64 0.00 -0.12 0.77 2.07 -0.49 -4.95 121.20 116.85 3hhq s ILE 39 Ca 0.54 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.78 3hhq s ILE 39 Cb -0.21 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.36 3hhq s ILE 39 CO 0.26 0.00 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.30 3hhq s THR 40 N -1.69 3.33 -0.42 4.00 2.01 -1.26 -0.56 115.64 121.05 3hhq s THR 40 Ca -0.02 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 3hhq s THR 40 Cb -0.01 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.12 3hhq s THR 40 CO 0.00 0.53 0.49 -0.63 -0.69 0.00 0.00 174.62 174.33 3hhq s ILE 41 N 0.09 5.02 0.54 1.82 -1.09 -0.61 -4.89 121.20 122.08 3hhq s ILE 41 Ca -0.04 -0.16 -0.21 0.00 -2.23 0.00 0.00 60.65 58.01 3hhq s ILE 41 Cb -0.14 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 3hhq s ILE 41 CO 0.04 -0.44 1.26 -2.84 -1.23 0.00 0.00 174.94 171.74 3hhq s PRO 42 N 2.32 3.24 0.19 2.79 0.02 -1.26 -0.91 135.00 141.40 3hhq s PRO 42 Ca 0.15 2.00 -0.32 0.00 0.02 0.00 0.00 61.00 62.85 3hhq s PRO 42 Cb -0.16 -2.20 -0.15 0.00 0.02 0.00 0.00 34.50 32.00 3hhq s PRO 42 CO 0.15 -1.03 1.12 0.00 -0.33 0.00 0.00 177.00 176.90 3hhq n ALA 43 N -1.05 -0.76 -0.96 -1.55 0.00 -1.26 -1.63 120.51 113.31 3hhq n ALA 43 Ca 0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3hhq n ALA 43 Cb 0.47 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 1.55 -1.16 0.00 0.00 2.81 -0.31 -4.88 117.12 115.12 3hhq n MET 44 Ca 0.14 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 3hhq n MET 44 Cb 0.26 -4.27 0.00 0.00 -0.71 0.00 0.00 33.22 28.50 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 -0.55 5.97 3.19 3.03 0.00 -0.64 -4.87 105.19 111.31 3hhq n GLY 45 Ca 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 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 1.60 0.81 0.28 1.61 -2.07 -1.26 -0.02 119.66 120.61 3hhq s GLN 46 Ca 0.00 -1.02 -0.20 0.00 -1.82 0.00 0.00 55.36 52.31 3hhq s GLN 46 Cb 0.00 0.32 0.02 0.00 -1.09 0.00 0.00 33.01 32.26 3hhq s GLN 46 CO 0.00 -0.24 0.71 0.20 -1.32 0.00 0.00 175.29 174.64 3hhq s GLY 47 N -2.88 -0.04 -0.12 2.60 0.00 -0.66 -4.48 107.32 101.74 3hhq s GLY 47 Ca 0.06 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.43 3hhq s GLY 47 CO -0.10 -0.13 -0.14 -0.29 0.00 0.00 0.00 173.10 172.44 3hhq s MET 48 N -3.87 2.11 -0.29 2.90 1.75 -1.26 -1.26 119.30 119.37 3hhq s MET 48 Ca 0.12 -0.50 -0.09 0.00 -1.25 0.00 0.00 55.69 53.97 3hhq s MET 48 Cb -0.06 -1.88 -0.02 0.00 2.84 0.00 0.00 34.83 35.71 3hhq s MET 48 CO 0.07 -0.14 0.13 0.08 -0.65 0.00 0.00 175.02 174.51 3hhq s VAL 49 N 1.24 4.56 0.33 10.11 1.01 -0.07 -4.94 120.40 132.64 3hhq s VAL 49 Ca -0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 3hhq s VAL 49 Cb -0.14 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.88 3hhq s VAL 49 CO -0.05 0.17 1.39 -0.44 0.00 0.00 0.00 175.10 176.16 3hhq s SER 50 N 1.62 6.62 -0.01 3.32 0.01 -1.26 -1.54 113.70 122.46 3hhq s SER 50 Ca 0.05 2.79 0.02 0.00 1.31 0.00 0.00 55.95 60.12 3hhq s SER 50 Cb -0.16 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 3hhq s SER 50 CO 0.06 -0.67 0.03 0.35 0.41 0.00 0.00 173.24 173.41 3hhq n THR 51 N 1.04 0.05 -2.82 1.44 -2.24 -1.25 -0.09 114.28 110.41 3hhq n THR 51 Ca 0.02 -0.05 -0.20 0.00 -2.27 0.00 0.00 64.05 61.54 3hhq n THR 51 Cb 0.41 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.75 -5.21 -4.19 3.42 8.00 -1.26 -4.36 116.55 111.20 3hhq n ASP 52 Ca -0.01 -0.14 -0.20 0.00 0.71 0.00 0.00 54.79 55.15 3hhq n ASP 52 Cb 0.24 -4.29 -0.12 0.00 -0.02 0.00 0.00 41.12 36.93 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 -2.99 1.24 0.19 0.53 -4.36 -1.26 0.75 121.20 115.30 3hhq s ILE 53 Ca 0.19 -1.34 0.11 0.00 -0.26 0.00 0.00 60.65 59.35 3hhq s ILE 53 Cb -0.09 -1.17 -0.04 0.00 1.25 0.00 0.00 42.46 42.40 3hhq s ILE 53 CO 0.23 -0.17 -0.24 -0.44 0.24 0.00 0.00 174.94 174.56 3hhq s SER 54 N -1.73 3.38 0.07 4.36 0.01 -0.50 -1.11 113.70 118.18 3hhq s SER 54 Ca 0.00 -0.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.31 3hhq s SER 54 Cb -0.10 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 3hhq s SER 54 CO 0.03 0.11 0.16 0.72 0.41 0.00 0.00 173.24 174.67 3hhq s PHE 55 N -1.69 0.16 -0.18 2.43 -0.71 -1.26 -1.13 117.98 115.60 3hhq s PHE 55 Ca 0.20 -0.53 0.01 0.00 -1.04 0.00 0.00 56.93 55.57 3hhq s PHE 55 Cb -0.08 -0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.66 3hhq s PHE 55 CO 0.10 -0.48 -0.20 0.99 -1.34 0.00 0.00 175.22 174.29 3hhq s THR 56 N -3.39 2.08 0.42 -4.49 2.01 -0.74 -4.69 115.64 106.84 3hhq s THR 56 Ca 0.01 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 3hhq s THR 56 Cb 0.03 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3hhq s THR 56 CO -0.08 0.54 0.72 0.68 -0.69 0.00 0.00 174.62 175.78 3hhq s VAL 57 N 1.28 4.93 0.86 3.82 -7.23 -1.26 -1.84 120.40 120.97 3hhq s VAL 57 Ca 0.05 0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.26 3hhq s VAL 57 Cb -0.13 -3.82 0.11 0.00 0.56 0.00 0.00 36.38 33.09 3hhq s VAL 57 CO -0.13 -0.68 1.14 -0.81 -0.31 0.00 0.00 175.10 174.31 3hhq n PRO 58 N -1.85 -0.12 -1.90 4.82 -0.04 -1.20 -4.91 135.00 129.80 3hhq n PRO 58 Ca -0.00 0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 3hhq n PRO 58 Cb 0.55 -2.38 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 3hhq n PRO 58 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hhq s VAL 59 N -2.36 2.30 0.00 0.52 1.01 -1.26 -2.57 120.40 118.05 3hhq s VAL 59 Ca 0.70 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3hhq s VAL 59 Cb -0.26 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3hhq s VAL 59 CO 0.55 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3hhq n GLY 60 N 1.28 0.68 3.15 4.51 0.00 -1.26 -4.95 105.19 108.60 3hhq n GLY 60 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.15 0.37 0.27 2.61 -4.23 -1.06 -1.15 115.64 110.29 3hhq s THR 61 Ca 0.00 -1.89 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 3hhq s THR 61 Cb 0.00 -1.79 -0.06 0.00 1.34 0.00 0.00 72.50 71.99 3hhq s THR 61 CO 0.00 -0.74 -0.07 -0.72 -0.54 0.00 0.00 174.62 172.55 3hhq s TYR 62 N -3.85 1.90 -0.40 3.99 1.13 -0.40 -4.62 117.35 115.11 3hhq s TYR 62 Ca 0.15 -0.69 -0.22 0.00 -1.41 0.00 0.00 57.07 54.90 3hhq s TYR 62 Cb 0.07 -1.06 0.01 0.00 -1.10 0.00 0.00 41.96 39.89 3hhq s TYR 62 CO -0.03 0.28 0.70 0.20 -2.51 0.00 0.00 175.55 174.19 3hhq s GLY 63 N -3.42 1.68 -0.24 5.49 0.00 -0.21 -2.25 107.32 108.38 3hhq s GLY 63 Ca 0.29 -0.94 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 3hhq s GLY 63 CO 0.11 1.63 0.44 -1.60 0.00 0.00 0.00 173.10 173.68 3hhq s ARG 64 N 2.96 4.10 -0.51 2.90 3.52 -0.01 -0.36 118.95 131.56 3hhq s ARG 64 Ca 0.27 0.22 -0.27 0.00 -0.13 0.00 0.00 55.73 55.83 3hhq s ARG 64 Cb -0.13 -3.60 0.03 0.00 -1.56 0.00 0.00 34.95 29.68 3hhq s ARG 64 CO 0.18 -0.21 1.03 0.42 -0.81 0.00 0.00 175.30 175.92 3hhq s ILE 65 N 1.84 4.29 0.29 4.11 -1.09 -0.07 -0.87 121.20 129.69 3hhq s ILE 65 Ca 0.19 0.78 0.10 0.00 -2.23 0.00 0.00 60.65 59.49 3hhq s ILE 65 Cb -0.15 -4.56 -0.05 0.00 -1.58 0.00 0.00 42.46 36.12 3hhq s ILE 65 CO 0.09 -1.05 -0.03 0.00 -1.23 0.00 0.00 174.94 172.73 3hhq s ALA 66 N 4.22 3.12 0.25 9.38 0.00 0.05 -4.60 121.76 134.18 3hhq s ALA 66 Ca 0.39 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 3hhq s ALA 66 Cb -0.09 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 3hhq s ALA 66 CO 0.26 0.22 1.17 -1.25 0.00 0.00 0.00 175.76 176.16 3hhq s PRO 67 N -3.66 4.54 0.14 0.00 0.04 -1.26 -0.86 135.00 133.93 3hhq s PRO 67 Ca 0.32 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 3hhq s PRO 67 Cb -0.05 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 3hhq s PRO 67 CO 0.19 0.03 1.16 1.03 0.04 0.00 0.00 177.00 179.45 3hhq s ARG 68 N -1.01 4.51 0.08 4.56 0.52 -1.26 -4.71 118.95 121.64 3hhq s ARG 68 Ca 0.49 1.78 -0.19 0.00 -0.52 0.00 0.00 55.73 57.28 3hhq s ARG 68 Cb -0.33 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 31.75 3hhq s ARG 68 CO 0.41 -0.08 1.53 0.77 0.02 0.00 0.00 175.30 177.95 3hhq h SER 69 N 5.70 0.36 -0.53 0.23 0.02 -1.97 -3.05 113.55 114.30 3hhq h SER 69 Ca -0.43 -0.28 0.11 0.00 -0.84 0.00 0.00 61.79 60.34 3hhq h SER 69 Cb 1.21 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.57 3hhq h SER 69 CO 0.76 0.55 0.00 1.23 -1.14 0.00 0.00 176.83 178.23 3hhq h GLY 70 N 0.15 0.56 1.77 -3.77 0.00 -2.00 -1.80 103.07 97.98 3hhq h GLY 70 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.47 3hhq h GLY 70 CO 0.01 -0.15 0.14 1.41 0.00 0.00 0.00 176.54 177.95 3hhq h LEU 71 N 0.12 0.22 0.36 3.11 3.38 -1.91 0.14 115.31 120.74 3hhq h LEU 71 Ca 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3hhq h LEU 71 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hhq h LEU 71 CO -0.45 0.16 -0.17 0.00 0.09 0.00 0.00 178.44 178.07 3hhq h ALA 72 N 1.87 -0.49 -0.08 1.53 0.00 -1.24 -0.95 119.26 119.90 3hhq h ALA 72 Ca 0.08 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hhq h ALA 72 Cb 0.01 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3hhq h ALA 72 CO -0.02 -0.49 -0.42 0.28 0.00 0.00 0.00 179.25 178.60 3hhq h VAL 73 N -1.05 0.15 0.00 0.00 2.07 -1.38 0.21 116.25 116.25 3hhq h VAL 73 Ca -0.05 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 3hhq h VAL 73 Cb 0.48 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3hhq h VAL 73 CO 0.08 0.00 -0.82 0.11 0.02 0.00 0.00 177.57 176.97 3hhq h LYS 74 N -0.52 0.04 0.00 1.57 1.57 -0.85 -3.38 116.57 115.00 3hhq h LYS 74 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hhq h LYS 74 Cb 0.63 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3hhq h LYS 74 CO -0.37 0.83 0.00 0.09 -0.57 0.00 0.00 179.45 179.44 3hhq n ASN 75 N -3.61 0.18 -1.08 0.86 3.02 -0.41 -5.02 115.26 109.21 3hhq n ASN 75 Ca -0.01 -0.52 -0.11 0.00 -0.03 0.00 0.00 54.58 53.91 3hhq n ASN 75 Cb 0.78 0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 40.43 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 0.51 0.38 3.77 7.41 0.00 0.74 -4.32 105.19 113.67 3hhq n GLY 76 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.48 4.41 0.02 -0.61 -1.09 -0.91 -0.42 121.20 120.11 3hhq s ILE 77 Ca 0.00 1.74 0.03 0.00 -2.23 0.00 0.00 60.65 60.18 3hhq s ILE 77 Cb 0.00 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 3hhq s ILE 77 CO 0.00 0.49 -0.09 -1.58 -1.23 0.00 0.00 174.94 172.53 3hhq s GLN 78 N -0.93 0.62 0.21 2.79 2.00 -0.18 -3.90 119.66 120.26 3hhq s GLN 78 Ca 0.37 -0.49 -0.26 0.00 -2.00 0.00 0.00 55.36 52.98 3hhq s GLN 78 Cb -0.23 -0.55 -0.08 0.00 0.80 0.00 0.00 33.01 32.95 3hhq s GLN 78 CO 0.26 0.14 0.84 0.95 -0.50 0.00 0.00 175.29 176.98 3hhq s THR 79 N -0.63 4.28 0.08 -0.34 -4.23 -1.26 -0.39 115.64 113.15 3hhq s THR 79 Ca -0.01 1.80 0.01 0.00 -1.18 0.00 0.00 61.69 62.32 3hhq s THR 79 Cb -0.06 -4.17 0.01 0.00 1.34 0.00 0.00 72.50 69.63 3hhq s THR 79 CO 0.00 0.46 0.12 0.61 -0.54 0.00 0.00 174.62 175.27 3hhq n GLY 80 N 1.40 1.95 6.97 3.99 0.00 0.17 -4.83 105.19 114.85 3hhq n GLY 80 Ca -0.04 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.90 0.00 0.00 4.61 0.00 -1.26 -4.48 120.51 116.48 3hhq n ALA 81 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hhq n ALA 81 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 1.72 3.41 0.00 0.00 -1.26 -4.92 105.19 104.13 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 -2.34 4.74 -0.32 1.61 1.01 -1.26 -0.90 120.40 122.93 3hhq s VAL 83 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 3hhq s VAL 83 Cb 0.00 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 3hhq s VAL 83 CO 0.00 -1.31 0.41 -0.69 0.00 0.00 0.00 175.10 173.51 3hhq s VAL 84 N 2.81 5.12 0.52 2.92 1.01 0.51 -5.00 120.40 128.30 3hhq s VAL 84 Ca 0.21 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 3hhq s VAL 84 Cb -0.15 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 3hhq s VAL 84 CO 0.01 -0.06 0.99 -1.81 0.00 0.00 0.00 175.10 174.24 3hhq s ASP 85 N 1.71 6.54 0.52 3.32 -0.00 -1.26 -1.05 116.67 126.45 3hhq s ASP 85 Ca 0.15 1.61 0.19 0.00 -0.00 0.00 0.00 52.55 54.50 3hhq s ASP 85 Cb -0.16 -2.51 1.32 0.00 -0.00 0.00 0.00 42.92 41.57 3hhq s ASP 85 CO 0.12 -0.64 2.13 -0.09 -0.00 0.00 0.00 175.17 176.69 3hhq h ARG 86 N 0.94 0.00 -0.16 8.23 2.43 -1.91 -2.24 114.38 121.67 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 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3hhq h ARG 86 CO 0.61 0.05 0.00 -0.40 -1.51 0.00 0.00 179.97 178.72 3hhq n ASP 87 N -4.32 1.24 -4.68 -3.80 3.85 -1.26 -4.51 116.55 103.07 3hhq n ASP 87 Ca -0.03 -1.73 -0.41 0.00 -0.71 0.00 0.00 54.79 51.91 3hhq n ASP 87 Cb 0.13 -0.10 -0.05 0.00 -1.35 0.00 0.00 41.12 39.75 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 -1.80 3.44 0.00 2.11 5.04 -0.85 -4.89 117.35 120.41 3hhq s TYR 88 Ca 0.27 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 3hhq s TYR 88 Cb 0.14 -2.91 0.00 0.00 0.35 0.00 0.00 41.96 39.54 3hhq s TYR 88 CO 0.21 -0.15 0.48 0.25 -1.34 0.00 0.00 175.55 175.00 3hhq n THR 89 N 4.52 0.09 -1.80 4.34 -2.24 -1.26 -4.60 114.28 113.32 3hhq n THR 89 Ca 0.02 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 3hhq n THR 89 Cb 0.50 1.08 0.10 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.09 1.59 0.03 3.38 0.00 -1.26 -4.86 107.32 106.11 3hhq s GLY 90 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 44.72 43.79 3hhq s GLY 90 CO 0.00 -0.11 1.87 -2.21 0.00 0.00 0.00 173.10 172.65 3hhq n GLU 91 N -3.44 2.56 -2.52 2.90 2.13 -1.26 -4.48 120.64 116.53 3hhq n GLU 91 Ca 0.08 0.93 -0.43 0.00 0.66 0.00 0.00 57.16 58.40 3hhq n GLU 91 Cb 0.60 -2.82 -0.02 0.00 0.27 0.00 0.00 31.44 29.47 3hhq n GLU 91 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hhq s VAL 92 N 3.51 4.19 -0.08 6.31 1.01 -0.26 -5.01 120.40 130.07 3hhq s VAL 92 Ca 0.87 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 64.11 3hhq s VAL 92 Cb -0.55 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 3hhq s VAL 92 CO 0.43 -0.75 -0.01 -0.54 0.00 0.00 0.00 175.10 174.23 3hhq s LYS 93 N 4.35 2.93 -0.34 2.72 1.02 -1.26 -3.93 119.74 125.23 3hhq s LYS 93 Ca 0.52 -0.45 -0.23 0.00 0.02 0.00 0.00 55.97 55.84 3hhq s LYS 93 Cb -0.11 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 3hhq s LYS 93 CO 0.27 0.69 0.75 0.08 -0.92 0.00 0.00 175.35 176.22 3hhq s VAL 94 N -0.89 4.79 -0.11 3.17 1.01 -0.59 -4.87 120.40 122.91 3hhq s VAL 94 Ca 0.14 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 3hhq s VAL 94 Cb -0.11 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3hhq s VAL 94 CO 0.03 -0.32 1.48 -0.69 0.00 0.00 0.00 175.10 175.59 3hhq s VAL 95 N 2.95 3.90 -0.08 2.92 1.01 -1.26 -0.89 120.40 128.95 3hhq s VAL 95 Ca 0.30 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.39 3hhq s VAL 95 Cb -0.14 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3hhq s VAL 95 CO 0.15 -0.10 -0.13 -0.76 0.00 0.00 0.00 175.10 174.25 3hhq s LEU 96 N 3.83 2.75 -0.15 3.92 1.43 -0.39 -0.65 118.68 129.41 3hhq s LEU 96 Ca 0.65 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3hhq s LEU 96 Cb -0.28 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3hhq s LEU 96 CO 0.23 0.28 0.07 -0.36 0.23 0.00 0.00 176.35 176.80 3hhq s PHE 97 N -0.32 3.31 -0.40 0.29 0.40 0.48 -1.66 117.98 120.07 3hhq s PHE 97 Ca 0.03 0.19 -0.09 0.00 -0.60 0.00 0.00 56.93 56.46 3hhq s PHE 97 Cb -0.13 -2.00 0.07 0.00 0.51 0.00 0.00 43.02 41.47 3hhq s PHE 97 CO 0.02 0.33 0.24 1.21 0.70 0.00 0.00 175.22 177.72 3hhq s ASN 98 N -0.12 5.61 0.00 1.36 3.84 0.98 -1.02 114.94 125.60 3hhq s ASN 98 Ca 0.07 -1.40 0.29 0.00 0.21 0.00 0.00 52.86 52.03 3hhq s ASN 98 Cb -0.12 -1.98 1.26 0.00 -0.55 0.00 0.00 41.25 39.86 3hhq s ASN 98 CO 0.01 -0.49 1.87 1.41 -2.79 0.00 0.00 177.10 177.10 3hhq n HIS 99 N 4.91 0.00 -2.66 0.43 8.25 0.43 -1.17 115.22 125.42 3hhq n HIS 99 Ca -0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.14 3hhq n HIS 99 Cb 0.43 -0.09 0.07 0.00 1.12 0.00 0.00 29.99 31.52 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 -2.26 4.84 0.00 0.41 1.04 -1.26 -4.74 113.70 111.73 3hhq s SER 100 Ca 0.35 -0.27 0.24 0.00 0.48 0.00 0.00 55.95 56.75 3hhq s SER 100 Cb 0.21 -0.36 0.94 0.00 0.10 0.00 0.00 66.02 66.91 3hhq s SER 100 CO 0.42 -1.48 1.67 0.00 0.98 0.00 0.00 173.24 174.82 3hhq n GLN 101 N -2.55 1.65 -4.79 4.02 1.13 -1.26 -1.61 117.38 113.97 3hhq n GLN 101 Ca 0.12 -0.96 -0.33 0.00 -1.94 0.00 0.00 57.00 53.89 3hhq n GLN 101 Cb 0.60 -1.43 -0.15 0.00 0.11 0.00 0.00 30.24 29.37 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 -1.90 3.27 0.38 -1.09 0.52 -1.26 -4.82 118.95 114.05 3hhq s ARG 102 Ca 0.35 -0.74 -0.26 0.00 -0.52 0.00 0.00 55.73 54.56 3hhq s ARG 102 Cb 0.19 -2.56 -0.11 0.00 0.52 0.00 0.00 34.95 32.98 3hhq s ARG 102 CO 0.30 0.15 1.14 -0.25 0.02 0.00 0.00 175.30 176.65 3hhq n ASP 103 N 3.69 1.92 -4.34 0.23 10.43 -1.26 -4.04 116.55 123.17 3hhq n ASP 103 Ca -0.19 1.12 -0.39 0.00 2.57 0.00 0.00 54.79 57.90 3hhq n ASP 103 Cb 0.52 -1.41 -0.12 0.00 1.84 0.00 0.00 41.12 41.96 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 -1.17 3.24 -0.01 1.24 5.99 -0.09 -4.87 117.98 122.31 3hhq s PHE 104 Ca 0.60 -1.10 -0.26 0.00 0.00 0.00 0.00 56.93 56.18 3hhq s PHE 104 Cb -0.58 -2.37 -0.04 0.00 0.00 0.00 0.00 43.02 40.04 3hhq s PHE 104 CO 0.59 -0.66 0.80 0.00 -0.00 0.00 0.00 175.22 175.95 3hhq s ALA 105 N 1.50 3.30 -0.09 11.12 0.00 -1.26 -1.57 121.76 134.76 3hhq s ALA 105 Ca 0.01 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.29 3hhq s ALA 105 Cb -0.19 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3hhq s ALA 105 CO 0.05 -0.07 -0.18 0.42 0.00 0.00 0.00 175.76 175.97 3hhq s ILE 106 N 0.53 1.65 0.06 0.00 1.01 0.28 -5.01 121.20 119.71 3hhq s ILE 106 Ca 0.42 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.33 3hhq s ILE 106 Cb -0.20 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3hhq s ILE 106 CO 0.22 0.47 0.05 -0.54 0.00 0.00 0.00 174.94 175.14 3hhq s LYS 107 N 0.60 2.81 0.01 2.79 -0.14 -1.26 -1.39 119.74 123.16 3hhq s LYS 107 Ca -0.14 -0.69 -0.39 0.00 -1.36 0.00 0.00 55.97 53.38 3hhq s LYS 107 Cb -0.17 -2.69 -0.19 0.00 -1.68 0.00 0.00 37.83 33.10 3hhq s LYS 107 CO 0.05 0.58 1.15 1.17 -0.76 0.00 0.00 175.35 177.53 3hhq n LYS 108 N 0.68 0.29 -0.14 1.68 0.00 -1.25 -0.59 118.16 118.83 3hhq n LYS 108 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3hhq n LYS 108 Cb 0.52 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.91 3hhq n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hhq n GLY 109 N 1.80 0.67 3.77 3.14 0.00 0.13 -4.99 105.19 109.71 3hhq n GLY 109 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.77 6.91 -0.20 1.61 1.11 0.24 -4.70 116.67 118.86 3hhq s ASP 110 Ca 0.00 2.23 -0.29 0.00 0.18 0.00 0.00 52.55 54.67 3hhq s ASP 110 Cb 0.00 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.38 3hhq s ASP 110 CO 0.00 -0.40 1.03 -0.13 1.18 0.00 0.00 175.17 176.85 3hhq s ARG 111 N -1.99 4.29 0.00 8.23 0.52 -1.26 -0.47 118.95 128.27 3hhq s ARG 111 Ca 0.52 1.36 0.04 0.00 -0.52 0.00 0.00 55.73 57.13 3hhq s ARG 111 Cb -0.29 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 3hhq s ARG 111 CO 0.37 -0.56 0.20 1.33 0.02 0.00 0.00 175.30 176.66 3hhq n VAL 112 N 5.14 0.00 -3.86 3.52 0.24 -0.10 -4.95 118.33 118.32 3hhq n VAL 112 Ca 0.11 -0.41 -0.01 0.00 -2.04 0.00 0.00 64.34 61.99 3hhq n VAL 112 Cb 0.47 1.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.86 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 -1.04 -2.41 -2.71 2.33 0.00 -1.22 -4.66 120.51 110.80 3hhq n ALA 113 Ca 0.01 -0.78 -0.14 0.00 0.00 0.00 0.00 53.44 52.53 3hhq n ALA 113 Cb 0.07 0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.03 0.65 -0.26 0.00 -2.07 -0.04 -1.05 119.66 114.87 3hhq s GLN 114 Ca 0.20 -0.91 -0.07 0.00 -1.82 0.00 0.00 55.36 52.77 3hhq s GLN 114 Cb -0.02 -0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 31.47 3hhq s GLN 114 CO 0.03 0.07 0.06 -1.17 -1.32 0.00 0.00 175.29 172.97 3hhq s LEU 115 N -1.88 3.47 -0.14 2.60 2.96 0.15 -0.77 118.68 125.07 3hhq s LEU 115 Ca -0.04 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3hhq s LEU 115 Cb -0.07 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3hhq s LEU 115 CO 0.00 -0.06 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.32 3hhq s ILE 116 N 1.59 4.05 -1.19 6.68 1.01 -0.05 -1.01 121.20 132.27 3hhq s ILE 116 Ca 0.06 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 3hhq s ILE 116 Cb -0.15 -2.75 0.20 0.00 0.01 0.00 0.00 42.46 39.77 3hhq s ILE 116 CO 0.03 0.52 1.38 0.18 0.00 0.00 0.00 174.94 177.05 3hhq n LEU 117 N 3.14 5.43 -4.70 2.97 4.77 -1.26 -0.83 117.00 126.52 3hhq n LEU 117 Ca -0.18 -4.65 -0.42 0.00 -0.03 0.00 0.00 56.01 50.73 3hhq n LEU 117 Cb 0.53 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 3hhq n LEU 117 CO 0.32 0.97 1.19 -1.61 -1.33 0.00 0.00 177.39 176.92 3hhq s GLU 118 N 0.58 4.25 0.18 3.23 0.41 -0.95 -4.88 118.70 121.53 3hhq s GLU 118 Ca 0.39 2.18 -0.24 0.00 -0.41 0.00 0.00 54.97 56.89 3hhq s GLU 118 Cb -0.04 -3.42 -0.08 0.00 -1.78 0.00 0.00 34.13 28.81 3hhq s GLU 118 CO -0.02 -0.59 0.76 0.15 -0.49 0.00 0.00 175.26 175.07 3hhq s LYS 119 N 1.90 4.48 0.13 1.61 1.02 -1.26 -1.27 119.74 126.35 3hhq s LYS 119 Ca 0.68 1.08 -0.10 0.00 0.02 0.00 0.00 55.97 57.65 3hhq s LYS 119 Cb -0.38 -3.16 -0.00 0.00 -0.52 0.00 0.00 37.83 33.77 3hhq s LYS 119 CO 0.30 0.53 0.27 0.96 -0.92 0.00 0.00 175.35 176.49 3hhq s ILE 120 N -1.24 0.09 -0.53 2.17 -4.36 -0.30 -4.95 121.20 112.07 3hhq s ILE 120 Ca 0.37 -1.21 -0.24 0.00 -0.26 0.00 0.00 60.65 59.31 3hhq s ILE 120 Cb -0.21 -1.58 0.04 0.00 1.25 0.00 0.00 42.46 41.96 3hhq s ILE 120 CO 0.25 -0.43 0.93 -0.69 0.24 0.00 0.00 174.94 175.24 3hhq s VAL 121 N -3.91 4.42 -2.52 8.37 1.01 -1.26 -4.66 120.40 121.85 3hhq s VAL 121 Ca 0.11 0.34 0.21 0.00 0.00 0.00 0.00 61.98 62.64 3hhq s VAL 121 Cb 0.04 -4.51 0.26 0.00 0.00 0.00 0.00 36.38 32.16 3hhq s VAL 121 CO -0.05 -1.06 1.25 -0.90 0.00 0.00 0.00 175.10 174.34 3hhq n ASP 122 N 7.38 3.01 -1.72 3.32 3.85 -1.26 -4.46 116.55 126.66 3hhq n ASP 122 Ca 0.02 -1.92 -0.01 0.00 -0.71 0.00 0.00 54.79 52.17 3hhq n ASP 122 Cb 0.48 -0.09 0.07 0.00 -1.35 0.00 0.00 41.12 40.22 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 1.27 1.95 -4.76 -1.12 3.85 -1.26 -5.08 116.55 111.40 3hhq n ASP 123 Ca 0.15 -2.73 -0.30 0.00 -0.71 0.00 0.00 54.79 51.19 3hhq n ASP 123 Cb 0.55 -0.40 0.10 0.00 -1.35 0.00 0.00 41.12 40.02 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 -2.30 2.03 0.02 2.12 0.00 -1.26 -5.05 121.76 117.31 3hhq s ALA 124 Ca 0.36 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.42 3hhq s ALA 124 Cb 0.37 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3hhq s ALA 124 CO -0.08 -1.93 -0.10 -0.65 0.00 0.00 0.00 175.76 172.99 3hhq s GLN 125 N -4.96 2.39 0.01 0.00 -0.21 -1.26 -5.12 119.66 110.52 3hhq s GLN 125 Ca 0.62 -0.81 -0.12 0.00 0.02 0.00 0.00 55.36 55.06 3hhq s GLN 125 Cb -0.17 -2.40 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 3hhq s GLN 125 CO 0.56 0.58 0.37 0.42 -2.12 0.00 0.00 175.29 175.10 3hhq s ILE 126 N -0.98 5.11 -0.13 1.08 1.01 -1.26 -5.08 121.20 120.95 3hhq s ILE 126 Ca 0.16 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.45 3hhq s ILE 126 Cb -0.11 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.73 3hhq s ILE 126 CO 0.07 0.49 -0.13 -0.69 0.00 0.00 0.00 174.94 174.67 3hhq s VAL 127 N -1.18 1.43 -0.29 2.92 1.01 -1.26 -5.12 120.40 117.91 3hhq s VAL 127 Ca 0.26 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 3hhq s VAL 127 Cb -0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3hhq s VAL 127 CO 0.14 0.43 0.66 -0.69 0.00 0.00 0.00 175.10 175.64 3hhq s VAL 128 N 1.36 4.93 0.32 2.92 1.01 -1.26 -5.06 120.40 124.62 3hhq s VAL 128 Ca 0.01 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.11 3hhq s VAL 128 Cb -0.13 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 3hhq s VAL 128 CO -0.07 -0.10 -0.13 0.68 0.00 0.00 0.00 175.10 175.49 3hhq s VAL 129 N 2.63 2.33 -0.05 2.92 -7.23 -1.26 -5.07 120.40 114.67 3hhq s VAL 129 Ca 0.27 -2.26 -0.26 0.00 -1.81 0.00 0.00 61.98 57.91 3hhq s VAL 129 Cb -0.15 -2.54 -0.22 0.00 0.56 0.00 0.00 36.38 34.03 3hhq s VAL 129 CO 0.11 -0.27 1.13 0.44 -0.31 0.00 0.00 175.10 176.20 3hhq h ASP 130 N 2.10 0.06 -4.57 4.85 3.32 -2.09 -3.45 116.42 116.64 3hhq h ASP 130 Ca -0.41 -0.64 -0.21 0.00 0.02 0.00 0.00 57.03 55.78 3hhq h ASP 130 Cb 1.25 -0.02 -0.23 0.00 0.22 0.00 0.00 39.33 40.55 3hhq h ASP 130 CO 0.67 0.70 -0.71 -0.55 -1.72 0.00 0.00 179.24 177.62 3hhq s SER 131 N -5.94 0.28 0.29 6.45 0.15 -1.26 -5.04 113.70 108.64 3hhq s SER 131 Ca -0.16 -0.35 0.16 0.00 0.70 0.00 0.00 55.95 56.29 3hhq s SER 131 Cb 0.01 0.06 0.20 0.00 -1.71 0.00 0.00 66.02 64.57 3hhq s SER 131 CO 0.69 -0.19 1.51 -0.07 1.20 0.00 0.00 173.24 176.38 3hhq h LEU 132 N 5.10 0.00 0.00 3.45 3.38 -2.04 -3.54 115.31 121.66 3hhq h LEU 132 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3hhq h LEU 132 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3hhq h LEU 132 CO 0.44 0.50 0.00 -0.62 0.09 0.00 0.00 178.44 178.85