#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 0.15 -0.29 3.15 0.11 -1.26 -5.09 120.40 117.17 3hhq s VAL 8 Ca 0.00 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 3hhq s VAL 8 Cb 0.00 -0.16 -0.00 0.00 -1.53 0.00 0.00 36.38 34.69 3hhq s VAL 8 CO 0.00 0.06 0.10 -0.22 -3.33 0.00 0.00 175.10 171.71 3hhq s LEU 9 N 0.13 3.86 -0.12 2.54 2.96 -1.26 -3.54 118.68 123.24 3hhq s LEU 9 Ca -0.01 -0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 53.13 3hhq s LEU 9 Cb -0.03 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3hhq s LEU 9 CO -0.00 -0.17 0.49 -0.54 -1.32 0.00 0.00 176.35 174.81 3hhq s LYS 10 N 1.55 4.33 -0.12 1.98 1.02 -0.73 -4.96 119.74 122.81 3hhq s LYS 10 Ca 0.04 0.47 0.01 0.00 0.02 0.00 0.00 55.97 56.51 3hhq s LYS 10 Cb -0.17 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.68 3hhq s LYS 10 CO 0.04 0.12 -0.17 0.42 -0.92 0.00 0.00 175.35 174.84 3hhq s ILE 11 N 0.73 2.71 -0.20 2.17 -1.09 -1.26 -1.64 121.20 122.62 3hhq s ILE 11 Ca 0.26 -0.79 -0.03 0.00 -2.23 0.00 0.00 60.65 57.87 3hhq s ILE 11 Cb -0.15 -2.11 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 3hhq s ILE 11 CO 0.11 0.54 -0.07 -1.58 -1.23 0.00 0.00 174.94 172.70 3hhq s GLN 12 N 0.32 3.36 -0.38 2.79 0.74 0.34 -5.00 119.66 121.83 3hhq s GLN 12 Ca -0.13 -0.65 -0.26 0.00 0.05 0.00 0.00 55.36 54.37 3hhq s GLN 12 Cb -0.17 -2.90 0.02 0.00 1.10 0.00 0.00 33.01 31.07 3hhq s GLN 12 CO 0.07 -0.10 0.95 -0.51 -0.55 0.00 0.00 175.29 175.15 3hhq s LEU 13 N 1.19 3.97 0.09 3.68 1.43 -1.26 -1.40 118.68 126.37 3hhq s LEU 13 Ca 0.02 0.55 0.26 0.00 -1.03 0.00 0.00 54.13 53.93 3hhq s LEU 13 Cb -0.14 -3.29 0.66 0.00 0.03 0.00 0.00 46.19 43.44 3hhq s LEU 13 CO -0.02 -0.91 1.56 0.54 0.23 0.00 0.00 176.35 177.74 3hhq n ARG 14 N 6.91 0.16 -3.82 1.70 1.74 0.14 -4.92 116.66 118.56 3hhq n ARG 14 Ca 0.08 0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 57.15 3hhq n ARG 14 Cb 0.48 -1.63 0.01 0.00 -1.02 0.00 0.00 32.46 30.30 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 -3.76 -0.08 0.46 0.55 1.04 -1.25 -5.02 113.70 105.64 3hhq s SER 15 Ca 0.10 -0.96 0.28 0.00 0.48 0.00 0.00 55.95 55.85 3hhq s SER 15 Cb 0.15 0.81 0.90 0.00 0.10 0.00 0.00 66.02 67.98 3hhq s SER 15 CO 0.65 -1.57 1.80 0.00 0.98 0.00 0.00 173.24 175.11 3hhq h ALA 16 N 2.00 1.00 0.00 5.32 0.00 -1.95 -2.96 119.26 122.67 3hhq h ALA 16 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hhq h ALA 16 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hhq h ALA 16 CO 0.35 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.37 3hhq h SER 17 N 0.00 0.00 -4.14 0.00 0.02 -1.95 -3.46 113.55 104.02 3hhq h SER 17 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3hhq h SER 17 Cb 0.70 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.30 3hhq h SER 17 CO 0.00 0.00 0.39 0.00 -1.14 0.00 0.00 176.83 176.08 3hhq s ALA 18 N -3.40 2.76 -0.05 3.77 0.00 -1.12 -4.47 121.76 119.25 3hhq s ALA 18 Ca 0.04 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.61 3hhq s ALA 18 Cb 0.09 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 3hhq s ALA 18 CO 0.51 -0.67 -0.22 0.99 0.00 0.00 0.00 175.76 176.37 3hhq s THR 19 N -2.18 1.81 0.13 0.00 2.01 -1.26 -5.02 115.64 111.13 3hhq s THR 19 Ca 0.67 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 3hhq s THR 19 Cb -0.18 -1.53 -0.09 0.00 0.01 0.00 0.00 72.50 70.71 3hhq s THR 19 CO 0.30 0.51 1.54 -0.69 -0.69 0.00 0.00 174.62 175.58 3hhq s VAL 20 N -0.13 2.89 0.51 3.82 1.01 -1.26 -4.76 120.40 122.48 3hhq s VAL 20 Ca -0.02 0.58 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 3hhq s VAL 20 Cb -0.12 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 3hhq s VAL 20 CO 0.03 0.04 1.11 -2.65 0.00 0.00 0.00 175.10 173.62 3hhq n PRO 21 N 4.32 1.37 -4.82 2.72 -0.02 -1.26 -5.00 135.00 132.31 3hhq n PRO 21 Ca 0.14 0.50 -0.27 0.00 -2.02 0.00 0.00 63.50 61.84 3hhq n PRO 21 Cb 0.40 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.35 1.82 -0.19 3.45 -4.23 -1.19 -4.85 115.64 109.10 3hhq s THR 22 Ca 0.69 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3hhq s THR 22 Cb -0.47 -1.56 0.04 0.00 1.34 0.00 0.00 72.50 71.86 3hhq s THR 22 CO 0.52 0.32 -0.08 -0.75 -0.54 0.00 0.00 174.62 174.09 3hhq s LYS 23 N -1.05 1.77 0.00 3.99 2.20 -1.26 -0.49 119.74 124.90 3hhq s LYS 23 Ca 0.09 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 3hhq s LYS 23 Cb -0.09 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 3hhq s LYS 23 CO 0.01 -0.44 0.74 0.41 -0.36 0.00 0.00 175.35 175.71 3hhq n GLY 24 N 4.76 -2.76 3.89 5.54 0.00 -1.26 -4.84 105.19 110.52 3hhq n GLY 24 Ca -0.13 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.07 6.31 0.39 1.61 1.04 -1.26 -4.97 113.70 114.75 3hhq s SER 25 Ca 0.00 1.09 0.27 0.00 0.48 0.00 0.00 55.95 57.79 3hhq s SER 25 Cb 0.00 -2.31 0.92 0.00 0.10 0.00 0.00 66.02 64.73 3hhq s SER 25 CO 0.00 -0.61 1.79 0.00 0.98 0.00 0.00 173.24 175.40 3hhq h ALA 26 N 0.30 1.00 0.00 5.32 0.00 -2.02 -3.24 119.26 120.62 3hhq h ALA 26 Ca -0.46 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 3hhq h ALA 26 Cb 1.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3hhq h ALA 26 CO 0.62 0.00 -1.94 0.25 0.00 0.00 0.00 179.25 178.18 3hhq n THR 27 N -2.72 0.74 -1.54 0.00 -2.24 -1.26 -4.97 114.28 102.29 3hhq n THR 27 Ca 0.03 -0.66 -0.44 0.00 -2.27 0.00 0.00 64.05 60.70 3hhq n THR 27 Cb 0.36 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.44 -0.78 -0.25 6.98 0.00 -1.23 -4.86 120.51 117.93 3hhq n ALA 28 Ca -0.14 0.36 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 3hhq n ALA 28 Cb 0.82 -1.93 0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 1.64 0.90 -1.88 0.00 0.00 -1.93 -3.48 119.26 114.51 3hhq h ALA 29 Ca -0.38 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 53.79 3hhq h ALA 29 Cb 1.36 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 3hhq h ALA 29 CO 0.58 0.58 -0.60 0.20 0.00 0.00 0.00 179.25 180.01 3hhq s GLY 30 N -3.34 2.24 -0.15 0.00 0.00 -1.26 -4.53 107.32 100.28 3hhq s GLY 30 Ca -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 44.72 42.48 3hhq s GLY 30 CO 0.83 -1.91 -0.06 -0.19 0.00 0.00 0.00 173.10 171.76 3hhq s TYR 31 N -3.11 2.96 0.24 1.90 1.51 -0.04 -4.65 117.35 116.16 3hhq s TYR 31 Ca 0.35 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 3hhq s TYR 31 Cb 0.09 -1.93 -0.10 0.00 -0.11 0.00 0.00 41.96 39.92 3hhq s TYR 31 CO 0.16 -0.09 1.38 -0.51 -1.11 0.00 0.00 175.55 175.39 3hhq s ASP 32 N 0.36 6.74 -0.14 2.29 1.01 0.35 0.27 116.67 127.56 3hhq s ASP 32 Ca -0.06 2.59 0.00 0.00 0.71 0.00 0.00 52.55 55.79 3hhq s ASP 32 Cb -0.15 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.15 3hhq s ASP 32 CO 0.04 -0.63 -0.15 -0.63 0.21 0.00 0.00 175.17 174.01 3hhq s ILE 33 N -0.09 2.81 -0.06 0.77 -1.09 -0.37 -3.15 121.20 120.01 3hhq s ILE 33 Ca 0.57 -0.74 -0.00 0.00 -2.23 0.00 0.00 60.65 58.25 3hhq s ILE 33 Cb -0.40 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.28 3hhq s ILE 33 CO 0.43 0.52 -0.02 -0.31 -1.23 0.00 0.00 174.94 174.33 3hhq s TYR 34 N 0.53 3.06 0.34 3.97 2.02 -1.26 -0.71 117.35 125.30 3hhq s TYR 34 Ca -0.10 0.11 -0.29 0.00 -0.37 0.00 0.00 57.07 56.43 3hhq s TYR 34 Cb -0.16 -1.73 -0.11 0.00 -0.40 0.00 0.00 41.96 39.56 3hhq s TYR 34 CO 0.04 0.42 1.41 0.00 -1.57 0.00 0.00 175.55 175.86 3hhq s ALA 35 N -0.91 3.56 -0.62 3.71 0.00 -0.11 -4.46 121.76 122.93 3hhq s ALA 35 Ca 0.14 1.42 0.20 0.00 0.00 0.00 0.00 51.96 53.72 3hhq s ALA 35 Cb -0.11 -3.55 -0.25 0.00 0.00 0.00 0.00 23.12 19.21 3hhq s ALA 35 CO 0.04 -0.85 0.70 -1.13 0.00 0.00 0.00 175.76 174.52 3hhq n SER 36 N 0.90 0.74 -3.96 0.00 3.41 0.04 0.09 113.62 114.84 3hhq n SER 36 Ca 0.02 -0.63 -0.10 0.00 -0.26 0.00 0.00 58.87 57.90 3hhq n SER 36 Cb 0.40 1.32 -0.11 0.00 -0.26 0.00 0.00 64.21 65.56 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 -3.04 0.30 0.36 4.33 -0.21 -1.25 -4.77 119.66 115.37 3hhq s GLN 37 Ca 0.02 -0.53 -0.28 0.00 0.02 0.00 0.00 55.36 54.59 3hhq s GLN 37 Cb 0.14 0.11 -0.11 0.00 1.00 0.00 0.00 33.01 34.15 3hhq s GLN 37 CO 0.82 -0.05 1.49 -0.25 -2.12 0.00 0.00 175.29 175.17 3hhq n ASP 38 N 1.73 3.72 -3.52 5.90 9.92 -1.26 -4.18 116.55 128.85 3hhq n ASP 38 Ca -0.23 1.21 -0.16 0.00 -0.53 0.00 0.00 54.79 55.08 3hhq n ASP 38 Cb 0.56 -1.61 -0.06 0.00 -0.64 0.00 0.00 41.12 39.37 3hhq n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hhq s ILE 39 N -0.95 0.00 -0.14 0.53 2.07 -0.65 -4.95 121.20 117.11 3hhq s ILE 39 Ca 0.55 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.77 3hhq s ILE 39 Cb -0.49 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.08 3hhq s ILE 39 CO 0.61 0.00 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.66 3hhq s THR 40 N -1.39 3.41 -0.33 4.00 2.01 -1.26 -1.08 115.64 120.99 3hhq s THR 40 Ca -0.09 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.19 3hhq s THR 40 Cb -0.00 -2.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.04 3hhq s THR 40 CO 0.07 0.51 0.60 -0.63 -0.69 0.00 0.00 174.62 174.48 3hhq s ILE 41 N 0.38 4.94 0.47 1.82 -1.09 0.36 -4.84 121.20 123.24 3hhq s ILE 41 Ca -0.08 0.62 -0.23 0.00 -2.23 0.00 0.00 60.65 58.73 3hhq s ILE 41 Cb -0.15 -4.01 -0.07 0.00 -1.58 0.00 0.00 42.46 36.65 3hhq s ILE 41 CO 0.04 -0.22 1.25 -2.16 -1.23 0.00 0.00 174.94 172.63 3hhq s PRO 42 N 2.58 3.66 0.31 2.79 0.04 -1.26 -0.87 135.00 142.24 3hhq s PRO 42 Ca 0.23 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 3hhq s PRO 42 Cb -0.15 -2.47 -0.12 0.00 0.04 0.00 0.00 34.50 31.80 3hhq s PRO 42 CO 0.13 -0.69 1.38 0.00 0.04 0.00 0.00 177.00 177.86 3hhq n ALA 43 N -0.45 1.46 -1.80 8.56 0.00 -1.26 -1.46 120.51 125.57 3hhq n ALA 43 Ca 0.07 0.38 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 3hhq n ALA 43 Cb 0.46 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 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 1.22 -1.52 0.00 0.00 2.81 0.51 -4.88 117.12 115.26 3hhq n MET 44 Ca 0.07 1.12 0.00 0.00 -1.81 0.00 0.00 57.70 57.08 3hhq n MET 44 Cb 0.35 -5.56 0.00 0.00 -0.71 0.00 0.00 33.22 27.29 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 -0.54 5.24 3.37 3.03 0.00 -0.54 -4.93 105.19 110.83 3hhq n GLY 45 Ca -0.21 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 2.03 1.26 0.18 1.61 -2.07 -1.26 0.39 119.66 121.81 3hhq s GLN 46 Ca 0.00 -1.30 -0.20 0.00 -1.82 0.00 0.00 55.36 52.04 3hhq s GLN 46 Cb 0.00 0.38 0.04 0.00 -1.09 0.00 0.00 33.01 32.34 3hhq s GLN 46 CO 0.00 -0.47 0.55 0.20 -1.32 0.00 0.00 175.29 174.25 3hhq s GLY 47 N -3.02 -0.30 -0.15 2.60 0.00 -0.53 -4.32 107.32 101.60 3hhq s GLY 47 Ca 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.97 3hhq s GLY 47 CO 0.05 -0.11 -0.06 -0.29 0.00 0.00 0.00 173.10 172.70 3hhq s MET 48 N -3.83 3.58 -0.26 2.90 1.75 -1.26 -1.14 119.30 121.04 3hhq s MET 48 Ca 0.06 -0.55 -0.10 0.00 -1.25 0.00 0.00 55.69 53.84 3hhq s MET 48 Cb -0.01 -2.84 -0.05 0.00 2.84 0.00 0.00 34.83 34.77 3hhq s MET 48 CO -0.07 0.26 0.17 0.08 -0.65 0.00 0.00 175.02 174.81 3hhq s VAL 49 N 0.31 5.22 0.30 10.11 1.01 0.19 -4.91 120.40 132.63 3hhq s VAL 49 Ca -0.05 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 3hhq s VAL 49 Cb -0.14 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 3hhq s VAL 49 CO 0.03 0.29 1.24 -0.44 0.00 0.00 0.00 175.10 176.23 3hhq s SER 50 N 1.51 6.95 -0.03 3.32 0.01 -1.26 -0.72 113.70 123.48 3hhq s SER 50 Ca 0.07 2.52 0.05 0.00 1.31 0.00 0.00 55.95 59.91 3hhq s SER 50 Cb -0.15 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.36 3hhq s SER 50 CO 0.08 -0.41 0.08 0.35 0.41 0.00 0.00 173.24 173.76 3hhq n THR 51 N 1.11 0.15 -1.98 1.44 -2.24 -1.26 -0.78 114.28 110.73 3hhq n THR 51 Ca 0.00 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.44 3hhq n THR 51 Cb 0.43 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.90 -4.82 -4.54 3.42 8.00 -1.26 -4.30 116.55 111.16 3hhq n ASP 52 Ca -0.04 0.24 -0.29 0.00 0.71 0.00 0.00 54.79 55.42 3hhq n ASP 52 Cb 0.36 -4.18 -0.10 0.00 -0.02 0.00 0.00 41.12 37.18 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 -2.67 3.08 0.21 0.53 -4.36 -1.26 0.26 121.20 116.99 3hhq s ILE 53 Ca 0.00 -1.50 0.11 0.00 -0.26 0.00 0.00 60.65 59.01 3hhq s ILE 53 Cb 0.00 -2.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.21 3hhq s ILE 53 CO 0.00 0.04 -0.23 -0.44 0.24 0.00 0.00 174.94 174.55 3hhq s SER 54 N -2.37 3.49 0.12 4.36 0.01 -0.49 -1.25 113.70 117.56 3hhq s SER 54 Ca 0.21 -0.89 -0.08 0.00 1.31 0.00 0.00 55.95 56.50 3hhq s SER 54 Cb -0.10 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 3hhq s SER 54 CO 0.13 0.10 0.20 0.72 0.41 0.00 0.00 173.24 174.80 3hhq s PHE 55 N -1.84 0.34 -0.23 2.43 -0.71 -1.26 -0.50 117.98 116.22 3hhq s PHE 55 Ca 0.23 -0.75 0.01 0.00 -1.04 0.00 0.00 56.93 55.38 3hhq s PHE 55 Cb -0.07 -0.12 0.05 0.00 -1.21 0.00 0.00 43.02 41.67 3hhq s PHE 55 CO 0.11 -0.60 -0.09 0.99 -1.34 0.00 0.00 175.22 174.29 3hhq s THR 56 N -3.93 1.71 0.74 -4.49 2.01 -0.65 -4.72 115.64 106.32 3hhq s THR 56 Ca 0.12 -1.22 -0.11 0.00 0.31 0.00 0.00 61.69 60.79 3hhq s THR 56 Cb 0.05 -1.87 0.04 0.00 0.01 0.00 0.00 72.50 70.73 3hhq s THR 56 CO -0.05 0.03 1.08 0.68 -0.69 0.00 0.00 174.62 175.67 3hhq s VAL 57 N 1.33 3.54 0.86 3.82 -7.23 -1.26 -1.77 120.40 119.69 3hhq s VAL 57 Ca -0.05 0.51 -0.12 0.00 -1.81 0.00 0.00 61.98 60.52 3hhq s VAL 57 Cb -0.18 -3.07 0.11 0.00 0.56 0.00 0.00 36.38 33.80 3hhq s VAL 57 CO -0.07 -0.65 1.17 -2.84 -0.31 0.00 0.00 175.10 172.41 3hhq s PRO 58 N -4.91 1.32 0.24 4.82 0.02 -1.23 -4.91 135.00 130.35 3hhq s PRO 58 Ca 0.60 1.65 -0.31 0.00 0.02 0.00 0.00 61.00 62.96 3hhq s PRO 58 Cb -0.16 -1.75 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 3hhq s PRO 58 CO 0.55 -2.43 1.56 0.54 -0.33 0.00 0.00 177.00 176.90 3hhq s VAL 59 N -2.41 2.34 0.00 3.83 0.11 -1.26 -2.32 120.40 120.68 3hhq s VAL 59 Ca 0.70 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.02 3hhq s VAL 59 Cb -0.26 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.42 3hhq s VAL 59 CO 0.54 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 3hhq n GLY 60 N 2.76 0.61 3.17 6.54 0.00 -1.26 -4.97 105.19 112.05 3hhq n GLY 60 Ca 0.10 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 0.35 0.32 2.61 -4.23 -0.98 -2.04 115.64 109.67 3hhq s THR 61 Ca 0.00 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 3hhq s THR 61 Cb 0.00 -1.94 -0.06 0.00 1.34 0.00 0.00 72.50 71.84 3hhq s THR 61 CO 0.00 -0.60 -0.12 -0.72 -0.54 0.00 0.00 174.62 172.64 3hhq s TYR 62 N -3.87 2.33 -0.32 3.99 1.13 -0.96 -4.48 117.35 115.16 3hhq s TYR 62 Ca 0.20 -0.47 -0.20 0.00 -1.41 0.00 0.00 57.07 55.19 3hhq s TYR 62 Cb 0.07 -1.25 -0.00 0.00 -1.10 0.00 0.00 41.96 39.68 3hhq s TYR 62 CO -0.00 0.59 0.64 0.20 -2.51 0.00 0.00 175.55 174.47 3hhq s GLY 63 N -3.57 1.76 -0.27 5.49 0.00 -0.29 -1.87 107.32 108.58 3hhq s GLY 63 Ca 0.31 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 44.20 3hhq s GLY 63 CO 0.16 1.48 0.23 -1.60 0.00 0.00 0.00 173.10 173.36 3hhq s ARG 64 N 2.65 3.98 -0.43 2.90 3.52 0.25 -1.04 118.95 130.79 3hhq s ARG 64 Ca 0.25 -0.23 -0.29 0.00 -0.13 0.00 0.00 55.73 55.34 3hhq s ARG 64 Cb -0.15 -3.64 0.02 0.00 -1.56 0.00 0.00 34.95 29.62 3hhq s ARG 64 CO 0.13 -0.17 1.31 0.42 -0.81 0.00 0.00 175.30 176.18 3hhq s ILE 65 N 1.72 4.02 0.21 4.11 1.01 0.60 -0.91 121.20 131.96 3hhq s ILE 65 Ca 0.09 1.04 0.11 0.00 0.00 0.00 0.00 60.65 61.89 3hhq s ILE 65 Cb -0.16 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 3hhq s ILE 65 CO 0.10 -0.84 -0.19 0.00 0.00 0.00 0.00 174.94 174.00 3hhq s ALA 66 N 5.05 2.68 0.37 9.38 0.00 0.67 -4.68 121.76 135.23 3hhq s ALA 66 Ca 0.56 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 3hhq s ALA 66 Cb -0.11 -0.42 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 3hhq s ALA 66 CO 0.32 0.41 1.15 -1.25 0.00 0.00 0.00 175.76 176.39 3hhq s PRO 67 N -2.86 4.19 0.22 0.00 0.04 -1.26 -0.92 135.00 134.41 3hhq s PRO 67 Ca 0.23 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 3hhq s PRO 67 Cb -0.08 -2.78 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 3hhq s PRO 67 CO 0.12 -0.20 1.13 1.03 0.04 0.00 0.00 177.00 179.13 3hhq s ARG 68 N -2.13 4.57 0.22 4.56 0.52 -1.26 -4.67 118.95 120.76 3hhq s ARG 68 Ca 0.54 1.81 0.01 0.00 -0.52 0.00 0.00 55.73 57.57 3hhq s ARG 68 Cb -0.31 -3.23 0.22 0.00 0.52 0.00 0.00 34.95 32.15 3hhq s ARG 68 CO 0.39 0.07 1.56 0.77 0.02 0.00 0.00 175.30 178.11 3hhq h SER 69 N 4.66 0.44 -0.01 0.23 0.02 -1.96 -2.23 113.55 114.70 3hhq h SER 69 Ca -0.45 -0.23 -0.20 0.00 -0.84 0.00 0.00 61.79 60.07 3hhq h SER 69 Cb 1.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3hhq h SER 69 CO 0.71 0.89 -0.69 1.23 -1.14 0.00 0.00 176.83 177.83 3hhq h GLY 70 N 1.22 0.71 1.31 -3.77 0.00 -1.99 -2.75 103.07 97.80 3hhq h GLY 70 Ca 0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.29 3hhq h GLY 70 CO 0.09 0.84 -0.14 1.41 0.00 0.00 0.00 176.54 178.74 3hhq h LEU 71 N 0.46 0.81 0.08 3.11 3.38 -1.91 0.11 115.31 121.35 3hhq h LEU 71 Ca -0.03 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3hhq h LEU 71 Cb 1.29 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 3hhq h LEU 71 CO 0.13 0.96 -0.51 0.00 0.09 0.00 0.00 178.44 179.12 3hhq h ALA 72 N 1.11 -0.93 -0.03 1.53 0.00 -1.37 -0.40 119.26 119.18 3hhq h ALA 72 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hhq h ALA 72 Cb 0.64 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 3hhq h ALA 72 CO 0.05 -1.10 0.02 0.28 0.00 0.00 0.00 179.25 178.50 3hhq h VAL 73 N -0.71 1.05 0.11 0.00 2.07 -1.43 -1.42 116.25 115.91 3hhq h VAL 73 Ca 0.01 -0.14 -0.27 0.00 0.82 0.00 0.00 66.70 67.12 3hhq h VAL 73 Cb 0.74 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3hhq h VAL 73 CO -0.30 0.04 -1.26 0.11 0.02 0.00 0.00 177.57 176.18 3hhq h LYS 74 N -0.02 0.22 0.00 1.57 1.57 -0.82 -3.39 116.57 115.71 3hhq h LYS 74 Ca 0.01 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3hhq h LYS 74 Cb 0.05 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hhq h LYS 74 CO -0.00 1.16 0.00 0.09 -0.57 0.00 0.00 179.45 180.12 3hhq n ASN 75 N -3.48 1.10 -1.07 0.86 3.02 -0.18 -5.01 115.26 110.49 3hhq n ASN 75 Ca -0.09 -1.44 -0.12 0.00 -0.03 0.00 0.00 54.58 52.90 3hhq n ASN 75 Cb 1.02 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.15 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 -0.22 0.92 3.68 7.41 0.00 -0.54 -4.30 105.19 112.14 3hhq n GLY 76 Ca 0.00 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.50 4.89 -0.04 -0.61 -1.09 -1.11 -0.92 121.20 119.81 3hhq s ILE 77 Ca 0.00 1.69 0.06 0.00 -2.23 0.00 0.00 60.65 60.16 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 0.05 -0.21 -1.58 -1.23 0.00 0.00 174.94 171.97 3hhq s GLN 78 N 1.93 2.07 0.09 2.79 2.00 0.08 -3.59 119.66 125.03 3hhq s GLN 78 Ca 0.40 -0.77 -0.31 0.00 -2.00 0.00 0.00 55.36 52.68 3hhq s GLN 78 Cb -0.17 -1.83 -0.07 0.00 0.80 0.00 0.00 33.01 31.75 3hhq s GLN 78 CO 0.14 0.36 1.26 0.95 -0.50 0.00 0.00 175.29 177.50 3hhq s THR 79 N -0.19 3.75 0.54 -0.34 -4.23 -1.26 0.45 115.64 114.35 3hhq s THR 79 Ca -0.00 1.27 0.06 0.00 -1.18 0.00 0.00 61.69 61.84 3hhq s THR 79 Cb -0.11 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 69.97 3hhq s THR 79 CO 0.02 0.11 0.74 -0.83 -0.54 0.00 0.00 174.62 174.12 3hhq s GLY 80 N 0.99 1.83 0.00 3.99 0.00 -0.16 -4.87 107.32 109.09 3hhq s GLY 80 Ca 0.60 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.56 3hhq s GLY 80 CO 0.30 -1.41 0.00 0.00 0.00 0.00 0.00 173.10 171.99 3hhq n ALA 81 N -2.22 0.00 -0.33 3.20 0.00 -1.26 -4.43 120.51 115.48 3hhq n ALA 81 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hhq n ALA 81 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3hhq n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhq n GLY 82 N 0.00 0.69 3.34 0.00 0.00 -1.26 -4.92 105.19 103.05 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 -2.54 5.09 -0.31 1.61 1.01 -1.26 -0.29 120.40 123.72 3hhq s VAL 83 Ca 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 61.98 60.60 3hhq s VAL 83 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3hhq s VAL 83 CO 0.00 -0.69 0.15 -0.69 0.00 0.00 0.00 175.10 173.88 3hhq s VAL 84 N 1.60 4.67 0.54 2.92 1.01 -0.20 -5.00 120.40 125.93 3hhq s VAL 84 Ca 0.04 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 3hhq s VAL 84 Cb -0.26 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 3hhq s VAL 84 CO 0.05 0.09 1.04 -1.81 0.00 0.00 0.00 175.10 174.47 3hhq s ASP 85 N 1.63 6.10 0.51 3.32 -0.00 -1.26 -1.14 116.67 125.82 3hhq s ASP 85 Ca 0.05 1.83 0.17 0.00 -0.00 0.00 0.00 52.55 54.60 3hhq s ASP 85 Cb -0.17 -2.54 1.25 0.00 -0.00 0.00 0.00 42.92 41.46 3hhq s ASP 85 CO 0.07 -0.95 2.12 -0.09 -0.00 0.00 0.00 175.17 176.32 3hhq h ARG 86 N 0.94 0.00 -0.04 8.23 2.43 -1.93 -1.83 114.38 122.19 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 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3hhq h ARG 86 CO 0.58 0.04 0.00 -0.40 -1.51 0.00 0.00 179.97 178.69 3hhq n ASP 87 N -4.43 0.50 -4.71 -3.80 3.85 -1.26 -4.49 116.55 102.20 3hhq n ASP 87 Ca -0.03 -1.39 -0.41 0.00 -0.71 0.00 0.00 54.79 52.25 3hhq n ASP 87 Cb 0.13 -0.02 -0.04 0.00 -1.35 0.00 0.00 41.12 39.84 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 -1.96 3.61 0.00 2.11 5.04 -0.69 -4.92 117.35 120.55 3hhq s TYR 88 Ca 0.34 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.46 3hhq s TYR 88 Cb 0.17 -2.98 0.00 0.00 0.35 0.00 0.00 41.96 39.49 3hhq s TYR 88 CO 0.27 0.02 0.37 0.25 -1.34 0.00 0.00 175.55 175.12 3hhq n THR 89 N 3.89 0.03 -1.34 4.34 -2.24 -1.26 -4.59 114.28 113.11 3hhq n THR 89 Ca 0.03 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 3hhq n THR 89 Cb 0.51 1.28 0.19 0.00 -2.10 0.00 0.00 70.33 70.21 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 -0.03 1.60 0.24 3.38 0.00 -1.26 -4.85 107.32 106.40 3hhq s GLY 90 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 3hhq s GLY 90 CO 0.00 -0.02 1.50 1.85 0.00 0.00 0.00 173.10 176.44 3hhq s GLU 91 N -5.33 4.22 -0.62 2.90 2.12 -1.26 -4.49 118.70 116.24 3hhq s GLU 91 Ca 0.68 2.38 -0.23 0.00 0.36 0.00 0.00 54.97 58.15 3hhq s GLU 91 Cb -0.12 -3.10 0.06 0.00 0.26 0.00 0.00 34.13 31.22 3hhq s GLU 91 CO 0.55 -0.51 0.96 0.08 -0.54 0.00 0.00 175.26 175.80 3hhq s VAL 92 N 0.28 4.33 0.25 3.70 1.01 -0.38 -5.01 120.40 124.58 3hhq s VAL 92 Ca 0.63 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3hhq s VAL 92 Cb -0.44 -4.64 -0.05 0.00 0.00 0.00 0.00 36.38 31.26 3hhq s VAL 92 CO 0.41 -1.35 0.50 -0.54 0.00 0.00 0.00 175.10 174.12 3hhq s LYS 93 N 4.06 3.61 -0.28 2.72 1.02 -1.26 -4.00 119.74 125.61 3hhq s LYS 93 Ca 0.25 -0.07 -0.08 0.00 0.02 0.00 0.00 55.97 56.09 3hhq s LYS 93 Cb -0.15 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 3hhq s LYS 93 CO 0.13 0.29 0.10 0.08 -0.92 0.00 0.00 175.35 175.03 3hhq s VAL 94 N -1.98 4.36 -0.17 3.17 1.01 0.10 -4.89 120.40 122.00 3hhq s VAL 94 Ca 0.43 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 3hhq s VAL 94 Cb -0.11 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 3hhq s VAL 94 CO 0.29 0.18 1.18 -0.69 0.00 0.00 0.00 175.10 176.06 3hhq s VAL 95 N 1.59 4.42 -0.13 2.92 1.01 -1.26 0.54 120.40 129.48 3hhq s VAL 95 Ca 0.05 1.72 0.02 0.00 0.00 0.00 0.00 61.98 63.77 3hhq s VAL 95 Cb -0.16 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3hhq s VAL 95 CO 0.04 -0.13 -0.20 -0.76 0.00 0.00 0.00 175.10 174.06 3hhq s LEU 96 N 3.18 2.25 -0.14 3.92 1.43 -0.30 -0.99 118.68 128.03 3hhq s LEU 96 Ca 0.51 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 3hhq s LEU 96 Cb -0.20 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3hhq s LEU 96 CO 0.13 0.11 0.38 -0.36 0.23 0.00 0.00 176.35 176.84 3hhq s PHE 97 N 0.68 3.48 -0.44 0.29 0.40 0.17 -1.46 117.98 121.10 3hhq s PHE 97 Ca -0.09 0.73 -0.10 0.00 -0.60 0.00 0.00 56.93 56.86 3hhq s PHE 97 Cb -0.16 -2.44 0.08 0.00 0.51 0.00 0.00 43.02 41.01 3hhq s PHE 97 CO 0.02 0.20 0.30 1.21 0.70 0.00 0.00 175.22 177.64 3hhq s ASN 98 N 0.56 5.74 -0.01 1.36 3.84 0.16 -0.74 114.94 125.86 3hhq s ASN 98 Ca 0.21 -1.53 0.13 0.00 0.21 0.00 0.00 52.86 51.88 3hhq s ASN 98 Cb -0.14 -2.03 0.40 0.00 -0.55 0.00 0.00 41.25 38.93 3hhq s ASN 98 CO 0.07 -0.58 1.32 1.41 -2.79 0.00 0.00 177.10 176.53 3hhq n HIS 99 N 4.97 0.64 -3.04 0.43 8.25 -0.10 -0.36 115.22 126.01 3hhq n HIS 99 Ca -0.10 -0.31 -0.21 0.00 -0.26 0.00 0.00 57.72 56.84 3hhq n HIS 99 Cb 0.43 -0.03 0.01 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 -0.96 5.72 0.00 0.41 1.04 -1.26 -4.76 113.70 113.89 3hhq s SER 100 Ca 0.30 -0.01 0.28 0.00 0.48 0.00 0.00 55.95 57.00 3hhq s SER 100 Cb 0.16 -1.18 1.28 0.00 0.10 0.00 0.00 66.02 66.38 3hhq s SER 100 CO 0.19 -0.74 1.92 0.00 0.98 0.00 0.00 173.24 175.59 3hhq n GLN 101 N -1.99 0.18 -4.29 4.02 1.13 -1.26 -1.13 117.38 114.04 3hhq n GLN 101 Ca 0.03 0.03 -0.34 0.00 -1.94 0.00 0.00 57.00 54.78 3hhq n GLN 101 Cb 0.58 -1.50 -0.11 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 -2.81 3.58 0.35 -1.09 0.52 -1.26 -4.81 118.95 113.43 3hhq s ARG 102 Ca 0.19 -0.44 -0.26 0.00 -0.52 0.00 0.00 55.73 54.69 3hhq s ARG 102 Cb 0.18 -2.96 -0.13 0.00 0.52 0.00 0.00 34.95 32.56 3hhq s ARG 102 CO 0.47 0.37 1.00 -0.25 0.02 0.00 0.00 175.30 176.91 3hhq n ASP 103 N 3.17 1.26 -4.25 0.23 10.43 -1.26 -4.17 116.55 121.96 3hhq n ASP 103 Ca -0.17 1.11 -0.35 0.00 2.57 0.00 0.00 54.79 57.95 3hhq n ASP 103 Cb 0.53 -1.31 -0.14 0.00 1.84 0.00 0.00 41.12 42.03 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 -1.16 3.09 -0.10 1.24 2.19 -0.05 -4.89 117.98 118.29 3hhq s PHE 104 Ca 0.60 -1.36 -0.11 0.00 0.33 0.00 0.00 56.93 56.39 3hhq s PHE 104 Cb -0.63 -2.12 -0.05 0.00 -1.31 0.00 0.00 43.02 38.91 3hhq s PHE 104 CO 0.59 -0.68 0.26 0.00 1.83 0.00 0.00 175.22 177.22 3hhq s ALA 105 N 1.38 3.74 -0.09 11.12 0.00 -1.26 -0.49 121.76 136.16 3hhq s ALA 105 Ca 0.01 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.54 3hhq s ALA 105 Cb -0.17 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3hhq s ALA 105 CO -0.02 0.41 -0.20 0.42 0.00 0.00 0.00 175.76 176.37 3hhq s ILE 106 N -0.57 1.76 0.15 0.00 1.01 -0.24 -5.01 121.20 118.30 3hhq s ILE 106 Ca 0.18 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3hhq s ILE 106 Cb -0.14 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3hhq s ILE 106 CO 0.06 0.49 0.24 -0.54 0.00 0.00 0.00 174.94 175.19 3hhq s LYS 107 N 0.41 3.27 0.07 2.79 -0.14 -1.26 -1.64 119.74 123.25 3hhq s LYS 107 Ca -0.17 -0.68 -0.37 0.00 -1.36 0.00 0.00 55.97 53.40 3hhq s LYS 107 Cb -0.17 -2.87 -0.18 0.00 -1.68 0.00 0.00 37.83 32.93 3hhq s LYS 107 CO 0.07 0.51 1.15 1.17 -0.76 0.00 0.00 175.35 177.49 3hhq n LYS 108 N -0.47 0.61 0.00 1.68 4.81 -1.26 -1.06 118.16 122.47 3hhq n LYS 108 Ca -0.07 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3hhq n LYS 108 Cb 0.54 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.86 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 1.99 1.67 3.77 3.14 0.00 0.11 -4.99 105.19 110.88 3hhq n GLY 109 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.85 6.97 0.02 1.61 1.01 -0.22 -4.75 116.67 119.46 3hhq s ASP 110 Ca 0.00 2.33 -0.30 0.00 0.71 0.00 0.00 52.55 55.29 3hhq s ASP 110 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 3hhq s ASP 110 CO 0.00 -0.36 1.48 -0.13 0.21 0.00 0.00 175.17 176.37 3hhq s ARG 111 N -1.80 4.26 0.00 8.23 0.52 -1.26 -0.94 118.95 127.96 3hhq s ARG 111 Ca 0.49 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.78 3hhq s ARG 111 Cb -0.32 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.57 3hhq s ARG 111 CO 0.41 -0.63 0.00 1.33 0.02 0.00 0.00 175.30 176.43 3hhq n VAL 112 N 4.68 0.00 -3.78 3.52 0.24 0.11 -4.95 118.33 118.16 3hhq n VAL 112 Ca 0.14 -0.22 -0.04 0.00 -2.04 0.00 0.00 64.34 62.19 3hhq n VAL 112 Cb 0.43 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 33.50 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 -1.31 -1.59 0.06 2.33 0.00 -1.19 -4.58 121.76 115.49 3hhq s ALA 113 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.04 3hhq s ALA 113 Cb 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3hhq s ALA 113 CO 0.00 -1.05 -0.18 1.14 0.00 0.00 0.00 175.76 175.68 3hhq s GLN 114 N -3.18 1.12 -0.24 0.00 -2.07 -0.10 -1.24 119.66 113.96 3hhq s GLN 114 Ca 0.13 -0.92 -0.10 0.00 -1.82 0.00 0.00 55.36 52.65 3hhq s GLN 114 Cb -0.02 -1.21 -0.05 0.00 -1.09 0.00 0.00 33.01 30.64 3hhq s GLN 114 CO 0.03 0.30 0.15 -1.17 -1.32 0.00 0.00 175.29 173.28 3hhq s LEU 115 N -1.37 4.06 -0.09 2.60 2.96 0.14 -0.24 118.68 126.75 3hhq s LEU 115 Ca 0.04 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3hhq s LEU 115 Cb -0.09 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3hhq s LEU 115 CO 0.02 0.07 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.35 3hhq s ILE 116 N 1.04 3.02 -1.08 6.68 1.01 -0.09 -0.86 121.20 130.92 3hhq s ILE 116 Ca 0.07 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 3hhq s ILE 116 Cb -0.14 -2.22 0.20 0.00 0.01 0.00 0.00 42.46 40.31 3hhq s ILE 116 CO 0.04 0.56 1.20 -0.76 0.00 0.00 0.00 174.94 175.98 3hhq s LEU 117 N -0.17 5.67 -0.09 2.97 1.43 -1.26 -0.58 118.68 126.65 3hhq s LEU 117 Ca -0.00 -2.97 -0.30 0.00 -1.03 0.00 0.00 54.13 49.83 3hhq s LEU 117 Cb -0.13 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 3hhq s LEU 117 CO 0.03 -0.64 1.03 -1.61 0.23 0.00 0.00 176.35 175.39 3hhq s GLU 118 N 0.73 4.43 0.27 1.70 0.41 -0.78 -4.91 118.70 120.54 3hhq s GLU 118 Ca 0.34 1.43 -0.29 0.00 -0.41 0.00 0.00 54.97 56.04 3hhq s GLU 118 Cb -0.06 -3.53 -0.09 0.00 -1.78 0.00 0.00 34.13 28.66 3hhq s GLU 118 CO -0.05 -0.31 0.99 0.15 -0.49 0.00 0.00 175.26 175.55 3hhq s LYS 119 N 1.94 4.73 0.14 1.61 1.02 -1.26 -2.26 119.74 125.66 3hhq s LYS 119 Ca 0.50 1.56 -0.08 0.00 0.02 0.00 0.00 55.97 57.97 3hhq s LYS 119 Cb -0.19 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 3hhq s LYS 119 CO 0.19 0.38 0.24 0.96 -0.92 0.00 0.00 175.35 176.20 3hhq s ILE 120 N -1.25 0.09 -0.45 2.17 -4.36 -0.86 -4.96 121.20 111.58 3hhq s ILE 120 Ca 0.44 -1.37 -0.19 0.00 -0.26 0.00 0.00 60.65 59.27 3hhq s ILE 120 Cb -0.27 -1.71 0.03 0.00 1.25 0.00 0.00 42.46 41.76 3hhq s ILE 120 CO 0.33 -0.41 0.58 -0.69 0.24 0.00 0.00 174.94 174.99 3hhq s VAL 121 N -3.94 4.92 -1.79 8.37 1.01 -1.26 -4.69 120.40 123.02 3hhq s VAL 121 Ca 0.14 -0.15 0.16 0.00 0.00 0.00 0.00 61.98 62.13 3hhq s VAL 121 Cb 0.04 -4.17 0.21 0.00 0.00 0.00 0.00 36.38 32.46 3hhq s VAL 121 CO -0.03 -0.59 1.10 -0.90 0.00 0.00 0.00 175.10 174.68 3hhq n ASP 122 N 6.04 2.58 -2.47 3.32 3.85 -1.26 -4.46 116.55 124.16 3hhq n ASP 122 Ca -0.04 -1.75 -0.14 0.00 -0.71 0.00 0.00 54.79 52.15 3hhq n ASP 122 Cb 0.47 -0.09 0.03 0.00 -1.35 0.00 0.00 41.12 40.18 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 0.90 3.20 -4.86 -1.12 3.85 -1.26 -5.08 116.55 112.18 3hhq n ASP 123 Ca 0.11 -2.97 -0.31 0.00 -0.71 0.00 0.00 54.79 50.91 3hhq n ASP 123 Cb 0.42 -0.43 0.03 0.00 -1.35 0.00 0.00 41.12 39.78 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 -3.61 2.96 -0.21 2.12 0.00 -1.26 -5.05 121.76 116.71 3hhq s ALA 124 Ca 0.39 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 3hhq s ALA 124 Cb 0.38 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 3hhq s ALA 124 CO -0.02 -0.89 0.07 -1.14 0.00 0.00 0.00 175.76 173.78 3hhq s GLN 125 N -5.16 3.84 -0.11 0.00 0.74 -1.26 -5.08 119.66 112.63 3hhq s GLN 125 Ca 0.56 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 55.28 3hhq s GLN 125 Cb -0.12 -3.27 -0.01 0.00 1.10 0.00 0.00 33.01 30.71 3hhq s GLN 125 CO 0.54 0.07 1.04 0.42 -0.55 0.00 0.00 175.29 176.81 3hhq s ILE 126 N 0.92 4.69 -0.11 -2.34 1.01 -1.26 -5.04 121.20 119.08 3hhq s ILE 126 Ca 0.04 1.97 0.01 0.00 0.00 0.00 0.00 60.65 62.67 3hhq s ILE 126 Cb -0.14 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.05 3hhq s ILE 126 CO 0.03 -0.01 -0.14 -0.69 0.00 0.00 0.00 174.94 174.13 3hhq s VAL 127 N 2.13 3.01 -0.24 2.92 1.01 -1.26 -5.11 120.40 122.86 3hhq s VAL 127 Ca 0.49 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 3hhq s VAL 127 Cb -0.19 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3hhq s VAL 127 CO 0.18 0.54 0.42 -0.69 0.00 0.00 0.00 175.10 175.55 3hhq s VAL 128 N 0.14 5.15 0.20 2.92 1.01 -1.26 -5.07 120.40 123.49 3hhq s VAL 128 Ca -0.07 0.71 0.10 0.00 0.00 0.00 0.00 61.98 62.72 3hhq s VAL 128 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3hhq s VAL 128 CO 0.05 0.17 -0.20 0.68 0.00 0.00 0.00 175.10 175.80 3hhq s VAL 129 N 1.86 2.08 0.07 2.92 -7.23 -1.26 -5.03 120.40 113.81 3hhq s VAL 129 Ca 0.18 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 3hhq s VAL 129 Cb -0.15 -2.04 -0.25 0.00 0.56 0.00 0.00 36.38 34.50 3hhq s VAL 129 CO 0.09 -0.32 1.11 0.44 -0.31 0.00 0.00 175.10 176.11 3hhq h ASP 130 N 2.93 0.24 -4.60 4.85 3.32 -2.10 -3.45 116.42 117.61 3hhq h ASP 130 Ca -0.42 -0.28 -0.19 0.00 0.02 0.00 0.00 57.03 56.16 3hhq h ASP 130 Cb 1.22 -0.08 -0.23 0.00 0.22 0.00 0.00 39.33 40.46 3hhq h ASP 130 CO 0.54 1.22 -0.71 -0.55 -1.72 0.00 0.00 179.24 178.02 3hhq s SER 131 N -6.89 0.20 0.00 6.45 0.15 -1.26 -5.37 113.70 106.99 3hhq s SER 131 Ca -0.03 -0.35 0.29 0.00 0.70 0.00 0.00 55.95 56.56 3hhq s SER 131 Cb 0.08 0.07 1.28 0.00 -1.71 0.00 0.00 66.02 65.73 3hhq s SER 131 CO 0.85 -0.21 1.87 0.18 1.20 0.00 0.00 173.24 177.14