#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 4.01 -0.46 -0.18 1.01 -1.26 -4.92 120.40 118.60 3hhq s VAL 8 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 3hhq s VAL 8 Cb 0.00 -2.66 0.07 0.00 0.00 0.00 0.00 36.38 33.78 3hhq s VAL 8 CO 0.00 0.60 0.37 -0.22 0.00 0.00 0.00 175.10 175.85 3hhq s LEU 9 N -0.83 5.50 -0.11 3.92 2.96 -1.26 -3.00 118.68 125.86 3hhq s LEU 9 Ca 0.13 -1.29 -0.21 0.00 -0.22 0.00 0.00 54.13 52.53 3hhq s LEU 9 Cb -0.11 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 3hhq s LEU 9 CO 0.02 -0.61 0.61 -0.54 -1.32 0.00 0.00 176.35 174.51 3hhq s LYS 10 N 1.62 4.37 -0.14 1.98 1.02 -0.62 -4.94 119.74 123.03 3hhq s LYS 10 Ca 0.04 0.69 -0.01 0.00 0.02 0.00 0.00 55.97 56.71 3hhq s LYS 10 Cb -0.23 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 3hhq s LYS 10 CO 0.06 0.05 -0.12 0.42 -0.92 0.00 0.00 175.35 174.85 3hhq s ILE 11 N 0.91 3.18 -0.17 2.17 -1.09 -1.26 -1.06 121.20 123.88 3hhq s ILE 11 Ca 0.32 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 58.11 3hhq s ILE 11 Cb -0.16 -2.35 -0.01 0.00 -1.58 0.00 0.00 42.46 38.36 3hhq s ILE 11 CO 0.14 0.52 -0.10 -1.58 -1.23 0.00 0.00 174.94 172.69 3hhq s GLN 12 N 0.37 3.37 -0.32 2.79 0.74 0.32 -5.01 119.66 121.93 3hhq s GLN 12 Ca -0.10 -0.66 -0.15 0.00 0.05 0.00 0.00 55.36 54.50 3hhq s GLN 12 Cb -0.16 -2.79 -0.02 0.00 1.10 0.00 0.00 33.01 31.14 3hhq s GLN 12 CO 0.05 0.02 0.38 -0.51 -0.55 0.00 0.00 175.29 174.68 3hhq s LEU 13 N 0.86 4.27 0.06 3.68 1.43 -1.26 -1.72 118.68 126.00 3hhq s LEU 13 Ca -0.03 -0.01 0.25 0.00 -1.03 0.00 0.00 54.13 53.31 3hhq s LEU 13 Cb -0.15 -2.40 0.44 0.00 0.03 0.00 0.00 46.19 44.11 3hhq s LEU 13 CO 0.00 -0.29 1.37 0.54 0.23 0.00 0.00 176.35 178.20 3hhq n ARG 14 N 5.40 0.16 -3.89 1.70 1.74 0.97 -4.90 116.66 117.84 3hhq n ARG 14 Ca -0.08 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 56.94 3hhq n ARG 14 Cb 0.50 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 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 -3.66 0.13 0.00 0.55 1.04 -1.25 -5.03 113.70 105.47 3hhq s SER 15 Ca 0.08 -1.09 0.24 0.00 0.48 0.00 0.00 55.95 55.66 3hhq s SER 15 Cb 0.15 0.76 1.16 0.00 0.10 0.00 0.00 66.02 68.20 3hhq s SER 15 CO 0.71 -1.49 1.78 0.00 0.98 0.00 0.00 173.24 175.22 3hhq n ALA 16 N -0.51 2.19 0.48 5.32 0.00 -1.26 -2.70 120.51 124.04 3hhq n ALA 16 Ca -0.05 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.41 3hhq n ALA 16 Cb 0.60 -1.38 0.32 0.00 0.00 0.00 0.00 19.45 18.99 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 -4.13 0.00 0.02 -1.95 -3.47 113.55 104.03 3hhq h SER 17 Ca 0.00 -0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3hhq h SER 17 Cb 0.25 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.80 3hhq h SER 17 CO 0.00 0.00 0.35 0.00 -1.14 0.00 0.00 176.83 176.04 3hhq s ALA 18 N -3.14 3.09 -0.06 3.77 0.00 -1.10 -4.42 121.76 119.90 3hhq s ALA 18 Ca 0.09 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3hhq s ALA 18 Cb 0.10 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.15 3hhq s ALA 18 CO 0.62 -0.15 -0.10 0.99 0.00 0.00 0.00 175.76 177.12 3hhq s THR 19 N -2.53 0.97 0.05 0.00 2.01 -1.26 -5.00 115.64 109.89 3hhq s THR 19 Ca 0.59 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 3hhq s THR 19 Cb -0.10 -0.91 -0.08 0.00 0.01 0.00 0.00 72.50 71.42 3hhq s THR 19 CO 0.28 0.32 1.74 -0.69 -0.69 0.00 0.00 174.62 175.58 3hhq s VAL 20 N 0.75 3.03 0.39 3.82 1.01 -1.26 -4.74 120.40 123.40 3hhq s VAL 20 Ca -0.13 0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 3hhq s VAL 20 Cb -0.15 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 3hhq s VAL 20 CO 0.02 -0.01 0.99 -2.65 0.00 0.00 0.00 175.10 173.46 3hhq n PRO 21 N 6.18 1.34 -4.61 2.72 -0.02 -1.26 -4.99 135.00 134.36 3hhq n PRO 21 Ca 0.17 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.90 3hhq n PRO 21 Cb 0.40 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.23 1.20 0.02 3.45 -4.23 -1.23 -4.85 115.64 108.77 3hhq s THR 22 Ca 0.62 -0.76 0.06 0.00 -1.18 0.00 0.00 61.69 60.42 3hhq s THR 22 Cb -0.59 -1.02 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 3hhq s THR 22 CO 0.58 0.25 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.98 3hhq s LYS 23 N -0.60 1.24 0.00 3.99 2.20 -1.26 -0.54 119.74 124.77 3hhq s LYS 23 Ca 0.05 -0.75 0.09 0.00 -0.36 0.00 0.00 55.97 54.99 3hhq s LYS 23 Cb -0.06 -1.27 0.13 0.00 -1.51 0.00 0.00 37.83 35.12 3hhq s LYS 23 CO 0.00 0.33 0.94 0.41 -0.36 0.00 0.00 175.35 176.67 3hhq n GLY 24 N 2.19 0.71 3.20 5.54 0.00 -1.26 -4.95 105.19 110.62 3hhq n GLY 24 Ca -0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.83 -0.36 0.29 1.61 0.15 -1.26 -5.01 113.70 108.29 3hhq s SER 25 Ca 0.13 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.50 3hhq s SER 25 Cb 0.08 0.64 0.69 0.00 -1.71 0.00 0.00 66.02 65.72 3hhq s SER 25 CO 0.11 -0.14 1.77 0.00 1.20 0.00 0.00 173.24 176.19 3hhq h ALA 26 N 6.20 1.56 -0.01 5.45 0.00 -2.03 -2.54 119.26 127.89 3hhq h ALA 26 Ca -0.31 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hhq h ALA 26 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hhq h ALA 26 CO 0.31 -0.06 -0.32 0.25 0.00 0.00 0.00 179.25 179.43 3hhq n THR 27 N -4.80 0.00 -1.67 0.00 -2.24 -1.26 -4.99 114.28 99.32 3hhq n THR 27 Ca 0.22 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 3hhq n THR 27 Cb 0.54 0.91 0.05 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 -0.10 0.66 -0.10 6.98 0.00 -0.96 -4.92 120.51 122.08 3hhq n ALA 28 Ca 0.12 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 3hhq n ALA 28 Cb 0.43 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 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 0.70 0.43 -2.17 0.00 0.00 -1.94 -3.48 119.26 112.79 3hhq h ALA 29 Ca -0.49 -0.36 -0.41 0.00 0.00 0.00 0.00 54.91 53.64 3hhq h ALA 29 Cb 1.35 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 3hhq h ALA 29 CO 0.53 0.37 -0.60 0.20 0.00 0.00 0.00 179.25 179.75 3hhq s GLY 30 N -3.57 1.94 -0.05 0.00 0.00 -1.26 -4.36 107.32 100.02 3hhq s GLY 30 Ca -0.13 -1.92 0.02 0.00 0.00 0.00 0.00 44.72 42.70 3hhq s GLY 30 CO 0.81 -1.70 -0.10 -0.19 0.00 0.00 0.00 173.10 171.93 3hhq s TYR 31 N -3.53 2.84 0.16 1.90 1.51 0.58 -4.71 117.35 116.10 3hhq s TYR 31 Ca 0.37 -0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 56.07 3hhq s TYR 31 Cb 0.08 -1.66 -0.08 0.00 -0.11 0.00 0.00 41.96 40.19 3hhq s TYR 31 CO 0.15 0.29 1.23 -0.51 -1.11 0.00 0.00 175.55 175.60 3hhq s ASP 32 N -0.88 7.03 -0.13 2.29 1.01 0.30 0.80 116.67 127.08 3hhq s ASP 32 Ca 0.13 2.23 -0.03 0.00 0.71 0.00 0.00 52.55 55.59 3hhq s ASP 32 Cb -0.11 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 3hhq s ASP 32 CO 0.02 -0.44 -0.04 -0.63 0.21 0.00 0.00 175.17 174.28 3hhq s ILE 33 N 0.29 3.86 -0.04 0.77 -1.09 -0.83 -3.52 121.20 120.64 3hhq s ILE 33 Ca 0.56 -0.38 0.06 0.00 -2.23 0.00 0.00 60.65 58.65 3hhq s ILE 33 Cb -0.33 -2.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 3hhq s ILE 33 CO 0.35 0.52 -0.20 -0.31 -1.23 0.00 0.00 174.94 174.07 3hhq s TYR 34 N 0.08 2.53 0.53 3.97 2.02 -1.26 -0.59 117.35 124.62 3hhq s TYR 34 Ca -0.01 -0.30 -0.22 0.00 -0.37 0.00 0.00 57.07 56.17 3hhq s TYR 34 Cb -0.14 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 3hhq s TYR 34 CO 0.03 0.07 1.35 0.00 -1.57 0.00 0.00 175.55 175.43 3hhq s ALA 35 N -0.65 2.88 -0.34 3.71 0.00 -0.32 -4.53 121.76 122.51 3hhq s ALA 35 Ca 0.10 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.40 3hhq s ALA 35 Cb -0.10 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.48 3hhq s ALA 35 CO -0.00 -1.29 0.54 -1.13 0.00 0.00 0.00 175.76 173.88 3hhq n SER 36 N -0.89 1.12 -3.82 0.00 3.41 -0.30 -0.54 113.62 112.61 3hhq n SER 36 Ca 0.09 -1.06 -0.12 0.00 -0.26 0.00 0.00 58.87 57.52 3hhq n SER 36 Cb 0.45 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.40 3hhq n SER 36 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3hhq s GLN 37 N -0.36 0.41 0.34 4.33 0.74 -1.25 -4.80 119.66 119.08 3hhq s GLN 37 Ca 0.03 -0.03 -0.29 0.00 0.05 0.00 0.00 55.36 55.13 3hhq s GLN 37 Cb 0.02 0.18 -0.11 0.00 1.10 0.00 0.00 33.01 34.21 3hhq s GLN 37 CO 0.04 -0.09 1.39 -0.51 -0.55 0.00 0.00 175.29 175.58 3hhq s ASP 38 N -0.66 6.59 -0.19 6.67 1.11 -1.26 -4.15 116.67 124.78 3hhq s ASP 38 Ca -0.08 2.83 -0.27 0.00 0.18 0.00 0.00 52.55 55.21 3hhq s ASP 38 Cb -0.04 -2.65 0.07 0.00 1.07 0.00 0.00 42.92 41.37 3hhq s ASP 38 CO 0.01 -0.69 0.73 -0.51 1.18 0.00 0.00 175.17 175.90 3hhq s ILE 39 N -1.00 0.00 -0.19 0.77 2.07 -0.77 -4.97 121.20 117.11 3hhq s ILE 39 Ca 0.52 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.69 3hhq s ILE 39 Cb -0.43 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.13 3hhq s ILE 39 CO 0.56 0.00 0.03 -0.89 -1.91 0.00 0.00 174.94 172.73 3hhq s THR 40 N -0.26 4.39 -0.57 4.00 2.01 -1.26 0.25 115.64 124.20 3hhq s THR 40 Ca -0.04 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.56 3hhq s THR 40 Cb -0.03 -2.98 0.05 0.00 0.01 0.00 0.00 72.50 69.55 3hhq s THR 40 CO 0.04 0.44 0.93 -0.63 -0.69 0.00 0.00 174.62 174.71 3hhq s ILE 41 N 0.68 4.40 0.58 1.82 -1.09 0.44 -4.89 121.20 123.14 3hhq s ILE 41 Ca 0.02 0.11 -0.20 0.00 -2.23 0.00 0.00 60.65 58.35 3hhq s ILE 41 Cb -0.14 -4.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.15 3hhq s ILE 41 CO 0.02 -1.17 1.26 -2.84 -1.23 0.00 0.00 174.94 170.99 3hhq s PRO 42 N 3.90 2.97 0.01 2.79 0.02 -1.26 0.20 135.00 143.63 3hhq s PRO 42 Ca 0.28 1.98 -0.38 0.00 0.02 0.00 0.00 61.00 62.90 3hhq s PRO 42 Cb -0.14 -2.02 -0.17 0.00 0.02 0.00 0.00 34.50 32.19 3hhq s PRO 42 CO 0.17 -1.25 1.36 0.00 -0.33 0.00 0.00 177.00 176.95 3hhq n ALA 43 N -1.45 -1.31 -2.74 -1.55 0.00 -1.25 -1.21 120.51 111.00 3hhq n ALA 43 Ca 0.13 0.51 -0.19 0.00 0.00 0.00 0.00 53.44 53.89 3hhq n ALA 43 Cb 0.48 -2.04 0.02 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 2.77 -3.42 -0.19 0.00 2.81 0.10 -4.92 117.12 114.28 3hhq n MET 44 Ca 0.20 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.90 3hhq n MET 44 Cb 0.16 -5.38 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 -1.30 5.71 3.06 3.03 0.00 -0.35 -4.92 105.19 110.41 3hhq n GLY 45 Ca -0.13 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 0.72 0.36 0.05 1.61 0.74 -1.26 -1.09 119.66 120.79 3hhq s GLN 46 Ca 0.00 -0.24 -0.20 0.00 0.05 0.00 0.00 55.36 54.96 3hhq s GLN 46 Cb 0.00 0.15 0.05 0.00 1.10 0.00 0.00 33.01 34.31 3hhq s GLN 46 CO 0.00 -0.08 0.47 0.20 -0.55 0.00 0.00 175.29 175.34 3hhq s GLY 47 N -0.94 -0.36 -0.40 2.59 0.00 0.78 -4.57 107.32 104.41 3hhq s GLY 47 Ca -0.10 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 45.02 3hhq s GLY 47 CO 0.01 0.18 0.21 1.06 0.00 0.00 0.00 173.10 174.56 3hhq s MET 48 N -2.51 2.35 -0.03 2.90 -1.94 -1.26 -0.39 119.30 118.43 3hhq s MET 48 Ca -0.05 -1.59 -0.30 0.00 -1.71 0.00 0.00 55.69 52.04 3hhq s MET 48 Cb -0.01 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.18 3hhq s MET 48 CO -0.02 -0.97 1.00 0.08 -0.01 0.00 0.00 175.02 175.09 3hhq s VAL 49 N 1.29 4.82 0.27 -6.03 1.01 0.91 -4.83 120.40 117.85 3hhq s VAL 49 Ca 0.04 2.04 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 3hhq s VAL 49 Cb -0.23 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 3hhq s VAL 49 CO -0.01 0.12 1.05 -0.44 0.00 0.00 0.00 175.10 175.82 3hhq s SER 50 N 1.04 7.37 -0.03 3.32 0.01 -1.26 -1.66 113.70 122.49 3hhq s SER 50 Ca 0.51 2.16 0.04 0.00 1.31 0.00 0.00 55.95 59.97 3hhq s SER 50 Cb -0.21 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.35 3hhq s SER 50 CO 0.25 -0.06 0.05 0.35 0.41 0.00 0.00 173.24 174.24 3hhq n THR 51 N 1.23 0.16 -3.36 1.44 -2.24 -1.26 -1.15 114.28 109.09 3hhq n THR 51 Ca -0.01 -0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.38 3hhq n THR 51 Cb 0.46 -0.37 0.02 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.94 -5.05 -4.28 3.42 8.00 -1.26 -4.34 116.55 111.10 3hhq n ASP 52 Ca -0.04 -0.44 -0.23 0.00 0.71 0.00 0.00 54.79 54.79 3hhq n ASP 52 Cb 0.42 -4.08 -0.12 0.00 -0.02 0.00 0.00 41.12 37.31 3hhq n ASP 52 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hhq s ILE 53 N -3.13 1.68 0.22 0.53 -4.36 -1.26 -0.02 121.20 114.86 3hhq s ILE 53 Ca 0.43 -1.56 0.10 0.00 -0.26 0.00 0.00 60.65 59.36 3hhq s ILE 53 Cb -0.21 -1.55 -0.05 0.00 1.25 0.00 0.00 42.46 41.90 3hhq s ILE 53 CO 0.53 -0.10 -0.19 -0.44 0.24 0.00 0.00 174.94 174.98 3hhq s SER 54 N -1.97 3.13 0.02 4.36 0.01 -0.70 -0.77 113.70 117.78 3hhq s SER 54 Ca 0.07 -0.96 -0.11 0.00 1.31 0.00 0.00 55.95 56.26 3hhq s SER 54 Cb -0.10 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.92 3hhq s SER 54 CO 0.04 -0.00 0.23 0.72 0.41 0.00 0.00 173.24 174.64 3hhq s PHE 55 N -2.33 -0.04 -0.26 2.43 -0.71 -1.26 -0.52 117.98 115.29 3hhq s PHE 55 Ca 0.23 -0.05 -0.04 0.00 -1.04 0.00 0.00 56.93 56.03 3hhq s PHE 55 Cb -0.05 0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 3hhq s PHE 55 CO 0.10 -0.40 0.01 0.99 -1.34 0.00 0.00 175.22 174.58 3hhq s THR 56 N -1.94 3.50 0.66 -4.49 2.01 -0.22 -4.77 115.64 110.38 3hhq s THR 56 Ca -0.10 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 3hhq s THR 56 Cb -0.04 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 3hhq s THR 56 CO -0.00 0.21 1.06 0.68 -0.69 0.00 0.00 174.62 175.88 3hhq s VAL 57 N 1.45 3.86 0.67 3.82 -7.23 -1.26 -1.59 120.40 120.12 3hhq s VAL 57 Ca 0.03 0.73 -0.17 0.00 -1.81 0.00 0.00 61.98 60.76 3hhq s VAL 57 Cb -0.16 -3.35 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 3hhq s VAL 57 CO -0.01 -0.67 0.90 -2.65 -0.31 0.00 0.00 175.10 172.36 3hhq n PRO 58 N -2.66 0.63 -1.70 4.82 -0.02 -1.16 -4.90 135.00 130.01 3hhq n PRO 58 Ca 0.08 0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 3hhq n PRO 58 Cb 0.53 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 3hhq n PRO 58 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hhq n VAL 59 N -2.19 1.44 -0.73 -1.45 0.31 -1.26 -2.16 118.33 112.30 3hhq n VAL 59 Ca 0.13 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3hhq n VAL 59 Cb 0.49 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3hhq n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hhq n GLY 60 N 1.50 0.67 3.29 2.92 0.00 -1.26 -4.91 105.19 107.40 3hhq n GLY 60 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.22 0.21 0.13 2.61 -4.23 -0.92 -0.65 115.64 110.57 3hhq s THR 61 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3hhq s THR 61 Cb 0.00 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 3hhq s THR 61 CO 0.00 0.00 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.29 3hhq s TYR 62 N -3.74 1.07 -0.31 3.99 1.13 -0.83 -4.59 117.35 114.07 3hhq s TYR 62 Ca 0.37 -0.87 -0.23 0.00 -1.41 0.00 0.00 57.07 54.94 3hhq s TYR 62 Cb 0.05 -0.59 -0.00 0.00 -1.10 0.00 0.00 41.96 40.33 3hhq s TYR 62 CO 0.17 -0.07 0.75 0.20 -2.51 0.00 0.00 175.55 174.09 3hhq s GLY 63 N -3.11 1.72 -0.30 5.49 0.00 -0.22 -1.77 107.32 109.14 3hhq s GLY 63 Ca 0.15 -0.48 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 3hhq s GLY 63 CO -0.02 1.68 0.40 -1.60 0.00 0.00 0.00 173.10 173.57 3hhq s ARG 64 N 2.88 3.85 -0.59 2.90 3.52 0.11 -1.09 118.95 130.52 3hhq s ARG 64 Ca 0.31 -0.09 -0.28 0.00 -0.13 0.00 0.00 55.73 55.54 3hhq s ARG 64 Cb -0.14 -3.72 0.02 0.00 -1.56 0.00 0.00 34.95 29.55 3hhq s ARG 64 CO 0.12 -0.40 1.32 0.42 -0.81 0.00 0.00 175.30 175.95 3hhq s ILE 65 N 2.13 3.86 0.15 4.11 -1.09 -0.22 -0.13 121.20 130.01 3hhq s ILE 65 Ca 0.15 0.72 0.08 0.00 -2.23 0.00 0.00 60.65 59.37 3hhq s ILE 65 Cb -0.16 -4.60 -0.04 0.00 -1.58 0.00 0.00 42.46 36.08 3hhq s ILE 65 CO 0.11 -1.31 -0.08 0.00 -1.23 0.00 0.00 174.94 172.43 3hhq s ALA 66 N 5.64 3.00 0.48 9.38 0.00 0.49 -4.60 121.76 136.15 3hhq s ALA 66 Ca 0.47 -1.36 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 3hhq s ALA 66 Cb -0.09 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 22.10 3hhq s ALA 66 CO 0.24 0.54 1.12 -1.25 0.00 0.00 0.00 175.76 176.42 3hhq s PRO 67 N -2.59 3.68 -0.04 0.00 0.04 -1.26 -0.49 135.00 134.34 3hhq s PRO 67 Ca 0.24 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 3hhq s PRO 67 Cb -0.10 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 3hhq s PRO 67 CO 0.15 -0.58 1.03 1.03 0.04 0.00 0.00 177.00 178.67 3hhq s ARG 68 N -2.94 4.48 0.23 4.56 0.52 -1.26 -4.63 118.95 119.91 3hhq s ARG 68 Ca 0.66 1.46 -0.07 0.00 -0.52 0.00 0.00 55.73 57.26 3hhq s ARG 68 Cb -0.25 -3.49 0.25 0.00 0.52 0.00 0.00 34.95 31.99 3hhq s ARG 68 CO 0.29 -0.21 1.89 0.77 0.02 0.00 0.00 175.30 178.06 3hhq h SER 69 N 6.98 0.95 -0.36 0.23 0.02 -1.96 -2.70 113.55 116.71 3hhq h SER 69 Ca -0.36 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 3hhq h SER 69 Cb 1.18 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3hhq h SER 69 CO 0.81 0.66 0.12 1.23 -1.14 0.00 0.00 176.83 178.52 3hhq h GLY 70 N 1.11 0.59 1.61 -3.77 0.00 -1.99 -2.23 103.07 98.39 3hhq h GLY 70 Ca 0.34 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3hhq h GLY 70 CO -0.11 0.32 -0.23 1.41 0.00 0.00 0.00 176.54 177.93 3hhq h LEU 71 N 0.43 0.46 0.26 3.11 3.38 -1.90 0.14 115.31 121.19 3hhq h LEU 71 Ca 0.12 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hhq h LEU 71 Cb 0.23 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3hhq h LEU 71 CO -0.01 0.69 -0.43 0.00 0.09 0.00 0.00 178.44 178.79 3hhq h ALA 72 N 1.35 -0.84 -0.17 1.53 0.00 -1.31 0.19 119.26 120.01 3hhq h ALA 72 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hhq h ALA 72 Cb 0.63 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3hhq h ALA 72 CO 0.04 -1.03 -0.03 0.28 0.00 0.00 0.00 179.25 178.52 3hhq h VAL 73 N -0.75 1.28 0.00 0.00 2.07 -1.26 -1.05 116.25 116.53 3hhq h VAL 73 Ca -0.01 -0.96 -0.18 0.00 0.82 0.00 0.00 66.70 66.37 3hhq h VAL 73 Cb 0.72 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3hhq h VAL 73 CO -0.16 0.29 -1.10 0.11 0.02 0.00 0.00 177.57 176.73 3hhq h LYS 74 N 0.04 0.00 0.00 1.57 1.57 -0.81 -3.40 116.57 115.54 3hhq h LYS 74 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3hhq h LYS 74 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hhq h LYS 74 CO 0.01 0.54 0.00 0.09 -0.57 0.00 0.00 179.45 179.52 3hhq n ASN 75 N -3.11 0.51 -0.28 0.86 3.02 -0.00 -5.04 115.26 111.22 3hhq n ASN 75 Ca -0.05 -0.94 -0.04 0.00 -0.03 0.00 0.00 54.58 53.52 3hhq n ASN 75 Cb 0.86 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 40.06 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 0.05 0.66 3.70 7.41 0.00 -0.40 -4.43 105.19 112.18 3hhq n GLY 76 Ca 0.00 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.04 5.02 -0.00 -0.61 -1.09 -1.02 -0.41 121.20 121.05 3hhq s ILE 77 Ca 0.00 1.38 0.08 0.00 -2.23 0.00 0.00 60.65 59.88 3hhq s ILE 77 Cb 0.00 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 3hhq s ILE 77 CO 0.00 0.19 -0.24 -1.58 -1.23 0.00 0.00 174.94 172.08 3hhq s GLN 78 N 1.26 1.87 0.28 2.79 2.00 -0.15 -3.63 119.66 124.08 3hhq s GLN 78 Ca 0.35 -0.90 -0.28 0.00 -2.00 0.00 0.00 55.36 52.52 3hhq s GLN 78 Cb -0.17 -1.86 -0.09 0.00 0.80 0.00 0.00 33.01 31.68 3hhq s GLN 78 CO 0.15 0.50 0.96 0.95 -0.50 0.00 0.00 175.29 177.35 3hhq s THR 79 N -0.62 4.07 0.35 -0.34 -4.23 -1.26 -0.52 115.64 113.09 3hhq s THR 79 Ca 0.09 1.94 0.04 0.00 -1.18 0.00 0.00 61.69 62.58 3hhq s THR 79 Cb -0.09 -4.18 0.04 0.00 1.34 0.00 0.00 72.50 69.61 3hhq s THR 79 CO -0.00 0.35 0.33 0.61 -0.54 0.00 0.00 174.62 175.37 3hhq n GLY 80 N 1.12 2.59 7.00 3.99 0.00 0.84 -4.88 105.19 115.85 3hhq n GLY 80 Ca -0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.38 0.00 -0.01 4.61 0.00 -1.26 -4.37 120.51 117.10 3hhq n ALA 81 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3hhq n ALA 81 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.25 3.38 0.00 0.00 -1.26 -4.92 105.19 102.64 3hhq n GLY 82 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.06 5.19 -0.36 1.61 1.01 -1.26 -1.05 120.40 123.47 3hhq s VAL 83 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 3hhq s VAL 83 Cb 0.00 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3hhq s VAL 83 CO 0.00 -0.65 0.18 -0.69 0.00 0.00 0.00 175.10 173.95 3hhq s VAL 84 N 1.75 4.43 0.52 2.92 1.01 -0.25 -5.00 120.40 125.78 3hhq s VAL 84 Ca 0.05 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 3hhq s VAL 84 Cb -0.25 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 3hhq s VAL 84 CO 0.07 -0.21 1.11 -1.81 0.00 0.00 0.00 175.10 174.25 3hhq s ASP 85 N 1.53 5.91 0.32 3.32 1.11 -1.26 -1.06 116.67 126.54 3hhq s ASP 85 Ca 0.01 2.12 0.09 0.00 0.18 0.00 0.00 52.55 54.95 3hhq s ASP 85 Cb -0.19 -2.58 0.83 0.00 1.07 0.00 0.00 42.92 42.05 3hhq s ASP 85 CO 0.06 -1.09 1.77 -0.09 1.18 0.00 0.00 175.17 177.00 3hhq h ARG 86 N 1.33 0.65 -0.00 8.23 2.43 -1.90 -2.04 114.38 123.07 3hhq h ARG 86 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3hhq h ARG 86 Cb 1.25 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3hhq h ARG 86 CO 0.58 0.43 -0.00 -0.40 -1.51 0.00 0.00 179.97 179.06 3hhq n ASP 87 N -4.76 0.28 -4.71 -3.80 3.85 -1.26 -4.61 116.55 101.55 3hhq n ASP 87 Ca 0.24 -1.09 -0.42 0.00 -0.71 0.00 0.00 54.79 52.81 3hhq n ASP 87 Cb 0.65 -0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.39 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 -2.00 3.50 0.00 2.11 5.04 -0.77 -4.93 117.35 120.30 3hhq s TYR 88 Ca 0.46 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 3hhq s TYR 88 Cb 0.22 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 39.24 3hhq s TYR 88 CO 0.36 -0.73 0.71 0.25 -1.34 0.00 0.00 175.55 174.80 3hhq n THR 89 N 4.03 0.50 -2.06 4.34 -2.24 -1.26 -4.62 114.28 112.96 3hhq n THR 89 Ca 0.08 -0.58 -0.28 0.00 -2.27 0.00 0.00 64.05 61.00 3hhq n THR 89 Cb 0.48 0.83 0.13 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.50 1.71 0.17 3.38 0.00 -1.26 -4.90 107.32 105.92 3hhq s GLY 90 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 44.72 43.33 3hhq s GLY 90 CO 0.00 -0.48 1.48 1.85 0.00 0.00 0.00 173.10 175.95 3hhq s GLU 91 N -5.58 4.27 -0.39 2.90 2.12 -1.26 -4.50 118.70 116.25 3hhq s GLU 91 Ca 0.67 2.24 -0.28 0.00 0.36 0.00 0.00 54.97 57.97 3hhq s GLU 91 Cb -0.07 -3.18 0.02 0.00 0.26 0.00 0.00 34.13 31.16 3hhq s GLU 91 CO 0.49 -0.50 1.03 0.08 -0.54 0.00 0.00 175.26 175.82 3hhq s VAL 92 N 0.88 4.45 0.02 3.70 1.01 0.05 -5.00 120.40 125.51 3hhq s VAL 92 Ca 0.66 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.96 3hhq s VAL 92 Cb -0.41 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.49 3hhq s VAL 92 CO 0.33 -0.67 0.22 -0.54 0.00 0.00 0.00 175.10 174.44 3hhq s LYS 93 N 3.82 3.47 -0.29 2.72 1.02 -1.26 -3.99 119.74 125.23 3hhq s LYS 93 Ca 0.43 -0.30 -0.08 0.00 0.02 0.00 0.00 55.97 56.04 3hhq s LYS 93 Cb -0.11 -3.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.14 3hhq s LYS 93 CO 0.22 0.64 0.10 0.08 -0.92 0.00 0.00 175.35 175.46 3hhq s VAL 94 N -1.39 4.22 -0.17 3.17 1.01 -0.66 -4.90 120.40 121.67 3hhq s VAL 94 Ca 0.30 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 3hhq s VAL 94 Cb -0.13 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3hhq s VAL 94 CO 0.21 0.14 0.96 -0.69 0.00 0.00 0.00 175.10 175.71 3hhq s VAL 95 N 1.56 4.78 -0.02 2.92 1.01 -1.26 -0.06 120.40 129.33 3hhq s VAL 95 Ca 0.04 1.89 0.08 0.00 0.00 0.00 0.00 61.98 63.99 3hhq s VAL 95 Cb -0.17 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 3hhq s VAL 95 CO 0.04 -0.06 -0.26 -0.76 0.00 0.00 0.00 175.10 174.06 3hhq s LEU 96 N 2.50 2.06 -0.10 3.92 1.43 0.48 -0.11 118.68 128.86 3hhq s LEU 96 Ca 0.43 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3hhq s LEU 96 Cb -0.16 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 3hhq s LEU 96 CO 0.12 0.32 -0.09 -0.36 0.23 0.00 0.00 176.35 176.56 3hhq s PHE 97 N -0.62 2.88 -0.37 0.29 2.99 0.33 -0.15 117.98 123.33 3hhq s PHE 97 Ca 0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 56.93 56.74 3hhq s PHE 97 Cb -0.10 -1.78 0.07 0.00 0.00 0.00 0.00 43.02 41.21 3hhq s PHE 97 CO -0.01 0.10 0.15 1.21 -0.00 0.00 0.00 175.22 176.67 3hhq s ASN 98 N -0.28 5.29 0.00 1.36 3.84 -0.25 -0.98 114.94 123.91 3hhq s ASN 98 Ca 0.03 -1.49 0.31 0.00 0.21 0.00 0.00 52.86 51.91 3hhq s ASN 98 Cb -0.13 -1.85 1.60 0.00 -0.55 0.00 0.00 41.25 40.32 3hhq s ASN 98 CO 0.03 -0.42 2.07 1.41 -2.79 0.00 0.00 177.10 177.39 3hhq n HIS 99 N 4.74 0.00 -3.37 0.43 8.25 0.45 -0.72 115.22 125.01 3hhq n HIS 99 Ca -0.09 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.19 3hhq n HIS 99 Cb 0.43 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.49 3hhq n HIS 99 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3hhq n SER 100 N -0.88 2.00 -1.04 0.41 3.41 -1.26 -4.78 113.62 111.47 3hhq n SER 100 Ca 0.20 -2.35 0.11 0.00 -0.26 0.00 0.00 58.87 56.57 3hhq n SER 100 Cb 0.20 -0.21 0.26 0.00 -0.26 0.00 0.00 64.21 64.20 3hhq n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhq n GLN 101 N -1.80 2.35 -5.22 4.33 1.13 -1.26 -2.43 117.38 114.48 3hhq n GLN 101 Ca 0.07 -2.06 -0.32 0.00 -1.94 0.00 0.00 57.00 52.75 3hhq n GLN 101 Cb 0.49 -1.48 -0.17 0.00 0.11 0.00 0.00 30.24 29.18 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 -1.46 2.98 0.41 -1.09 0.52 -1.26 -4.80 118.95 114.25 3hhq s ARG 102 Ca 0.38 -0.88 -0.26 0.00 -0.52 0.00 0.00 55.73 54.46 3hhq s ARG 102 Cb 0.21 -2.29 -0.08 0.00 0.52 0.00 0.00 34.95 33.32 3hhq s ARG 102 CO 0.30 0.21 1.29 -0.51 0.02 0.00 0.00 175.30 176.60 3hhq s ASP 103 N 0.26 6.27 -0.32 0.23 -0.00 -1.26 -3.96 116.67 117.89 3hhq s ASP 103 Ca -0.17 2.61 -0.06 0.00 -0.00 0.00 0.00 52.55 54.93 3hhq s ASP 103 Cb -0.17 -2.63 0.03 0.00 -0.00 0.00 0.00 42.92 40.14 3hhq s ASP 103 CO 0.08 -0.87 0.09 0.12 -0.00 0.00 0.00 175.17 174.59 3hhq s PHE 104 N -1.29 3.21 -0.09 4.23 2.19 0.13 -4.87 117.98 121.49 3hhq s PHE 104 Ca 0.58 -1.28 -0.24 0.00 0.33 0.00 0.00 56.93 56.31 3hhq s PHE 104 Cb -0.37 -2.26 -0.03 0.00 -1.31 0.00 0.00 43.02 39.05 3hhq s PHE 104 CO 0.47 -0.68 0.76 0.00 1.83 0.00 0.00 175.22 177.60 3hhq s ALA 105 N 1.43 3.37 -0.09 11.12 0.00 -1.26 -0.42 121.76 135.91 3hhq s ALA 105 Ca -0.00 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.11 3hhq s ALA 105 Cb -0.19 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 3hhq s ALA 105 CO 0.03 -0.28 -0.16 0.42 0.00 0.00 0.00 175.76 175.76 3hhq s ILE 106 N 1.24 2.79 0.07 0.00 1.01 0.14 -5.00 121.20 121.44 3hhq s ILE 106 Ca 0.39 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3hhq s ILE 106 Cb -0.18 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3hhq s ILE 106 CO 0.17 0.55 -0.00 -0.54 0.00 0.00 0.00 174.94 175.12 3hhq s LYS 107 N -0.02 2.60 -0.22 2.79 -0.14 -1.26 -1.85 119.74 121.63 3hhq s LYS 107 Ca -0.05 -0.78 -0.41 0.00 -1.36 0.00 0.00 55.97 53.37 3hhq s LYS 107 Cb -0.14 -2.57 -0.18 0.00 -1.68 0.00 0.00 37.83 33.26 3hhq s LYS 107 CO 0.04 0.56 1.51 1.17 -0.76 0.00 0.00 175.35 177.87 3hhq n LYS 108 N 0.78 0.63 0.00 1.68 4.81 -1.26 -1.40 118.16 123.40 3hhq n LYS 108 Ca -0.12 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 3hhq n LYS 108 Cb 0.52 -1.82 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3hhq n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hhq n GLY 109 N 3.35 2.45 3.75 3.14 0.00 0.30 -4.96 105.19 113.22 3hhq n GLY 109 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.48 7.26 0.07 1.61 1.01 -0.49 -4.75 116.67 119.90 3hhq s ASP 110 Ca 0.00 2.18 -0.31 0.00 0.71 0.00 0.00 52.55 55.13 3hhq s ASP 110 Cb 0.00 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.24 3hhq s ASP 110 CO 0.00 -0.19 1.51 -0.13 0.21 0.00 0.00 175.17 176.57 3hhq s ARG 111 N -0.87 4.25 -0.00 8.23 0.52 -1.26 -1.17 118.95 128.64 3hhq s ARG 111 Ca 0.47 2.17 0.02 0.00 -0.52 0.00 0.00 55.73 57.88 3hhq s ARG 111 Cb -0.31 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 3hhq s ARG 111 CO 0.38 -0.60 0.06 1.33 0.02 0.00 0.00 175.30 176.48 3hhq n VAL 112 N 4.43 0.00 -3.41 3.52 0.24 0.24 -4.93 118.33 118.42 3hhq n VAL 112 Ca 0.14 -0.10 -0.03 0.00 -2.04 0.00 0.00 64.34 62.31 3hhq n VAL 112 Cb 0.42 0.51 0.01 0.00 -1.47 0.00 0.00 33.84 33.31 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 -1.52 -0.81 -2.89 2.33 0.00 -1.21 -4.63 120.51 111.79 3hhq n ALA 113 Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 3hhq n ALA 113 Cb 0.06 0.34 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 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 0.47 -0.22 0.00 -2.07 0.35 -1.97 119.66 114.19 3hhq s GLN 114 Ca 0.07 -0.72 -0.12 0.00 -1.82 0.00 0.00 55.36 52.77 3hhq s GLN 114 Cb -0.02 -0.18 -0.05 0.00 -1.09 0.00 0.00 33.01 31.67 3hhq s GLN 114 CO 0.04 0.02 0.23 -1.17 -1.32 0.00 0.00 175.29 173.09 3hhq s LEU 115 N -1.55 4.15 -0.08 2.60 2.96 0.24 -0.38 118.68 126.61 3hhq s LEU 115 Ca -0.12 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3hhq s LEU 115 Cb -0.10 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 3hhq s LEU 115 CO 0.00 0.05 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.28 3hhq s ILE 116 N 1.00 2.76 -1.09 6.68 1.01 0.82 -0.30 121.20 132.07 3hhq s ILE 116 Ca 0.11 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 3hhq s ILE 116 Cb -0.13 -2.09 0.17 0.00 0.01 0.00 0.00 42.46 40.41 3hhq s ILE 116 CO 0.05 0.56 1.27 -0.76 0.00 0.00 0.00 174.94 176.06 3hhq s LEU 117 N -0.18 5.21 -0.13 2.97 1.43 -1.26 0.08 118.68 126.79 3hhq s LEU 117 Ca -0.01 -2.68 -0.29 0.00 -1.03 0.00 0.00 54.13 50.11 3hhq s LEU 117 Cb -0.13 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 3hhq s LEU 117 CO 0.03 -0.82 1.08 -1.61 0.23 0.00 0.00 176.35 175.27 3hhq s GLU 118 N 1.73 4.35 0.21 1.70 0.41 -0.73 -4.89 118.70 121.48 3hhq s GLU 118 Ca 0.37 1.48 -0.30 0.00 -0.41 0.00 0.00 54.97 56.11 3hhq s GLU 118 Cb -0.04 -3.59 -0.08 0.00 -1.78 0.00 0.00 34.13 28.63 3hhq s GLU 118 CO -0.04 -0.46 1.18 0.15 -0.49 0.00 0.00 175.26 175.60 3hhq s LYS 119 N 2.48 4.52 0.14 1.61 1.02 -1.26 -1.96 119.74 126.29 3hhq s LYS 119 Ca 0.50 1.87 0.01 0.00 0.02 0.00 0.00 55.97 58.37 3hhq s LYS 119 Cb -0.19 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 3hhq s LYS 119 CO 0.16 -0.03 -0.00 0.96 -0.92 0.00 0.00 175.35 175.52 3hhq s ILE 120 N -0.33 0.53 -0.48 2.17 -4.36 0.18 -4.95 121.20 113.96 3hhq s ILE 120 Ca 0.51 -1.94 -0.27 0.00 -0.26 0.00 0.00 60.65 58.68 3hhq s ILE 120 Cb -0.33 -1.97 0.03 0.00 1.25 0.00 0.00 42.46 41.44 3hhq s ILE 120 CO 0.38 -0.59 1.04 -0.69 0.24 0.00 0.00 174.94 175.32 3hhq s VAL 121 N -3.75 4.32 -2.18 8.37 1.01 -1.26 -4.69 120.40 122.23 3hhq s VAL 121 Ca 0.20 0.96 0.19 0.00 0.00 0.00 0.00 61.98 63.34 3hhq s VAL 121 Cb 0.06 -4.53 0.25 0.00 0.00 0.00 0.00 36.38 32.16 3hhq s VAL 121 CO 0.01 -0.95 1.19 -0.90 0.00 0.00 0.00 175.10 174.45 3hhq n ASP 122 N 7.55 2.86 -0.90 3.32 3.85 -1.26 -4.55 116.55 127.42 3hhq n ASP 122 Ca 0.09 -1.85 0.05 0.00 -0.71 0.00 0.00 54.79 52.37 3hhq n ASP 122 Cb 0.49 -0.11 0.09 0.00 -1.35 0.00 0.00 41.12 40.24 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 1.12 1.23 -4.66 -1.12 3.85 -1.26 -5.07 116.55 110.64 3hhq n ASP 123 Ca 0.14 -2.73 -0.37 0.00 -0.71 0.00 0.00 54.79 51.12 3hhq n ASP 123 Cb 0.50 -0.37 0.07 0.00 -1.35 0.00 0.00 41.12 39.96 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 -0.31 0.43 -2.88 2.12 0.00 -1.26 -5.04 120.51 113.58 3hhq n ALA 124 Ca 0.10 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 3hhq n ALA 124 Cb 0.88 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 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 -3.15 3.33 -0.09 0.00 -0.21 -1.26 -5.12 119.66 113.15 3hhq s GLN 125 Ca 0.78 -0.41 -0.15 0.00 0.02 0.00 0.00 55.36 55.60 3hhq s GLN 125 Cb -0.38 -3.01 -0.05 0.00 1.00 0.00 0.00 33.01 30.57 3hhq s GLN 125 CO 0.45 0.64 0.38 0.42 -2.12 0.00 0.00 175.29 175.06 3hhq s ILE 126 N -1.36 5.19 -0.10 1.08 1.01 -1.26 -5.09 121.20 120.67 3hhq s ILE 126 Ca 0.29 0.75 0.02 0.00 0.00 0.00 0.00 60.65 61.71 3hhq s ILE 126 Cb -0.13 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 3hhq s ILE 126 CO 0.21 0.44 -0.16 -0.69 0.00 0.00 0.00 174.94 174.74 3hhq s VAL 127 N -0.07 2.80 -0.24 2.92 1.01 -1.26 -5.12 120.40 120.44 3hhq s VAL 127 Ca 0.22 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 3hhq s VAL 127 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3hhq s VAL 127 CO 0.09 0.55 0.34 -0.69 0.00 0.00 0.00 175.10 175.39 3hhq s VAL 128 N -0.00 5.22 0.21 2.92 1.01 -1.26 -5.08 120.40 123.42 3hhq s VAL 128 Ca -0.05 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.54 3hhq s VAL 128 Cb -0.14 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3hhq s VAL 128 CO 0.04 0.23 -0.12 0.68 0.00 0.00 0.00 175.10 175.93 3hhq s VAL 129 N 1.58 1.64 0.13 2.92 -7.23 -1.26 -5.05 120.40 113.13 3hhq s VAL 129 Ca 0.15 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 58.07 3hhq s VAL 129 Cb -0.15 -2.09 -0.15 0.00 0.56 0.00 0.00 36.38 34.55 3hhq s VAL 129 CO 0.08 -0.56 1.34 0.44 -0.31 0.00 0.00 175.10 176.10 3hhq h ASP 130 N 2.54 0.70 -5.02 4.85 3.32 -1.99 -3.45 116.42 117.35 3hhq h ASP 130 Ca -0.38 -0.48 -0.08 0.00 0.02 0.00 0.00 57.03 56.10 3hhq h ASP 130 Cb 1.22 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.39 3hhq h ASP 130 CO 0.63 1.26 -0.11 -0.94 -1.72 0.00 0.00 179.24 178.36 3hhq s SER 131 N -7.07 -0.29 0.00 6.45 1.04 -1.26 -5.04 113.70 107.52 3hhq s SER 131 Ca -0.08 0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.46 3hhq s SER 131 Cb 0.09 0.41 0.24 0.00 0.10 0.00 0.00 66.02 66.86 3hhq s SER 131 CO 0.88 -0.62 1.14 0.18 0.98 0.00 0.00 173.24 175.80 3hhq n LEU 132 N 0.68 0.00 0.00 2.42 4.77 -1.26 -5.21 117.00 118.40 3hhq n LEU 132 Ca -0.19 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.90 3hhq n LEU 132 Cb 0.59 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.32 3hhq n LEU 132 CO 0.21 0.00 0.83 -0.62 -1.33 0.00 0.00 177.39 176.48