#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 1.36 -0.32 3.15 1.01 -1.26 -5.09 120.40 119.25 3hhq s VAL 8 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3hhq s VAL 8 Cb 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.23 3hhq s VAL 8 CO 0.00 0.40 0.08 -0.22 0.00 0.00 0.00 175.10 175.35 3hhq s LEU 9 N 0.17 4.10 -0.14 3.92 2.96 -1.26 -3.73 118.68 124.69 3hhq s LEU 9 Ca -0.06 -1.04 -0.20 0.00 -0.22 0.00 0.00 54.13 52.61 3hhq s LEU 9 Cb -0.12 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3hhq s LEU 9 CO 0.03 -0.28 0.55 -0.54 -1.32 0.00 0.00 176.35 174.79 3hhq s LYS 10 N 1.41 4.30 -0.07 1.98 1.02 -0.76 -4.98 119.74 122.64 3hhq s LYS 10 Ca -0.01 0.54 0.04 0.00 0.02 0.00 0.00 55.97 56.56 3hhq s LYS 10 Cb -0.19 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 3hhq s LYS 10 CO 0.02 0.00 -0.17 0.42 -0.92 0.00 0.00 175.35 174.70 3hhq s ILE 11 N 1.11 2.76 -0.15 2.17 -1.09 -1.26 -1.51 121.20 123.21 3hhq s ILE 11 Ca 0.28 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.90 3hhq s ILE 11 Cb -0.16 -2.08 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 3hhq s ILE 11 CO 0.11 0.57 -0.21 -1.58 -1.23 0.00 0.00 174.94 172.61 3hhq s GLN 12 N -0.33 3.03 -0.19 2.79 0.74 0.11 -4.99 119.66 120.81 3hhq s GLN 12 Ca 0.02 -0.84 -0.19 0.00 0.05 0.00 0.00 55.36 54.40 3hhq s GLN 12 Cb -0.13 -2.49 -0.03 0.00 1.10 0.00 0.00 33.01 31.46 3hhq s GLN 12 CO 0.02 -0.07 0.55 -0.51 -0.55 0.00 0.00 175.29 174.73 3hhq s LEU 13 N 0.96 4.15 0.00 3.68 1.43 -1.26 -1.53 118.68 126.11 3hhq s LEU 13 Ca -0.03 0.73 0.24 0.00 -1.03 0.00 0.00 54.13 54.04 3hhq s LEU 13 Cb -0.15 -2.76 0.30 0.00 0.03 0.00 0.00 46.19 43.61 3hhq s LEU 13 CO -0.05 -0.20 1.29 0.54 0.23 0.00 0.00 176.35 178.16 3hhq n ARG 14 N 4.81 1.14 -3.81 1.70 1.74 0.52 -4.98 116.66 117.78 3hhq n ARG 14 Ca -0.04 -0.86 -0.05 0.00 -0.77 0.00 0.00 57.85 56.13 3hhq n ARG 14 Cb 0.50 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.45 -0.19 0.11 0.55 1.04 -1.25 -5.02 113.70 106.49 3hhq s SER 15 Ca 0.22 -0.56 0.19 0.00 0.48 0.00 0.00 55.95 56.28 3hhq s SER 15 Cb 0.19 0.62 0.80 0.00 0.10 0.00 0.00 66.02 67.72 3hhq s SER 15 CO 0.54 -1.15 1.59 0.00 0.98 0.00 0.00 173.24 175.20 3hhq n ALA 16 N -0.48 1.71 1.30 5.32 0.00 -1.26 -2.25 120.51 124.84 3hhq n ALA 16 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.53 3hhq n ALA 16 Cb 0.60 -1.31 0.51 0.00 0.00 0.00 0.00 19.45 19.24 3hhq n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hhq n SER 17 N -1.82 0.63 -4.82 0.00 7.64 -1.26 -4.93 113.62 109.06 3hhq n SER 17 Ca 0.03 -0.60 -0.34 0.00 1.01 0.00 0.00 58.87 58.97 3hhq n SER 17 Cb 0.21 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 3hhq n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhq s ALA 18 N -2.55 3.14 -0.10 -0.43 0.00 -0.96 -4.41 121.76 116.46 3hhq s ALA 18 Ca 0.25 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.61 3hhq s ALA 18 Cb 0.20 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.24 3hhq s ALA 18 CO 0.51 0.18 -0.21 0.99 0.00 0.00 0.00 175.76 177.23 3hhq s THR 19 N -1.98 1.83 0.21 0.00 2.01 -1.26 -5.00 115.64 111.44 3hhq s THR 19 Ca 0.57 -0.88 -0.32 0.00 0.31 0.00 0.00 61.69 61.37 3hhq s THR 19 Cb -0.12 -1.60 -0.14 0.00 0.01 0.00 0.00 72.50 70.65 3hhq s THR 19 CO 0.17 0.51 1.48 0.52 -0.69 0.00 0.00 174.62 176.60 3hhq n VAL 20 N 3.66 0.57 -2.02 3.82 0.31 -1.26 -4.75 118.33 118.67 3hhq n VAL 20 Ca -0.20 -0.14 -0.36 0.00 -0.01 0.00 0.00 64.34 63.63 3hhq n VAL 20 Cb 0.53 -1.50 0.03 0.00 -0.91 0.00 0.00 33.84 31.99 3hhq n VAL 20 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hhq s PRO 21 N 0.10 3.03 -0.03 5.55 0.02 -1.26 -5.00 135.00 137.40 3hhq s PRO 21 Ca 0.72 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3hhq s PRO 21 Cb -0.66 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 31.89 3hhq s PRO 21 CO 0.45 -1.17 -0.11 0.95 -0.33 0.00 0.00 177.00 176.79 3hhq s THR 22 N -1.58 0.98 0.00 0.99 -4.23 -1.21 -4.85 115.64 105.74 3hhq s THR 22 Ca 0.76 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 3hhq s THR 22 Cb -0.31 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.67 3hhq s THR 22 CO 0.34 0.30 0.00 1.17 -0.54 0.00 0.00 174.62 175.88 3hhq n LYS 23 N 3.31 3.77 -1.34 3.99 4.81 -1.26 -0.19 118.16 131.26 3hhq n LYS 23 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 3hhq n LYS 23 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 3hhq n LYS 23 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3hhq n SER 25 N 0.00 0.00 0.11 3.14 2.88 -1.26 -5.05 113.62 113.44 3hhq n SER 25 Ca 0.00 0.89 -0.03 0.00 -1.33 0.00 0.00 58.87 58.40 3hhq n SER 25 Cb 0.00 -1.34 0.03 0.00 -0.75 0.00 0.00 64.21 62.16 3hhq n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hhq h ALA 26 N 2.30 0.65 -1.00 -1.46 0.00 -2.05 -2.99 119.26 114.72 3hhq h ALA 26 Ca 0.00 -0.69 -0.65 0.00 0.00 0.00 0.00 54.91 53.57 3hhq h ALA 26 Cb 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 17.79 17.32 3hhq h ALA 26 CO 0.00 0.95 0.22 0.25 0.00 0.00 0.00 179.25 180.67 3hhq n THR 27 N -3.49 3.15 -3.37 0.00 -2.24 -1.26 -4.94 114.28 102.12 3hhq n THR 27 Ca -0.00 -3.83 -0.36 0.00 -2.27 0.00 0.00 64.05 57.59 3hhq n THR 27 Cb 0.77 -1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hhq s ALA 28 N -3.77 3.59 0.32 6.98 0.00 -1.13 -5.01 121.76 122.74 3hhq s ALA 28 Ca 0.56 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.47 3hhq s ALA 28 Cb 0.45 -2.51 0.55 0.00 0.00 0.00 0.00 23.12 21.61 3hhq s ALA 28 CO -0.10 0.46 1.76 0.00 0.00 0.00 0.00 175.76 177.88 3hhq h ALA 29 N 3.69 1.22 -2.24 0.00 0.00 -1.92 -3.48 119.26 116.54 3hhq h ALA 29 Ca -0.49 -0.36 -0.35 0.00 0.00 0.00 0.00 54.91 53.71 3hhq h ALA 29 Cb 1.20 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 3hhq h ALA 29 CO 0.65 0.53 -0.65 0.20 0.00 0.00 0.00 179.25 179.99 3hhq s GLY 30 N -4.20 1.54 -0.11 0.00 0.00 -1.26 -4.48 107.32 98.80 3hhq s GLY 30 Ca -0.04 -1.76 -0.00 0.00 0.00 0.00 0.00 44.72 42.91 3hhq s GLY 30 CO 0.76 -1.62 -0.10 -0.19 0.00 0.00 0.00 173.10 171.95 3hhq s TYR 31 N -3.55 2.88 0.24 1.90 1.51 -0.11 -4.60 117.35 115.62 3hhq s TYR 31 Ca 0.30 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 3hhq s TYR 31 Cb 0.06 -1.82 -0.10 0.00 -0.11 0.00 0.00 41.96 40.00 3hhq s TYR 31 CO 0.09 -0.00 1.45 -0.51 -1.11 0.00 0.00 175.55 175.46 3hhq s ASP 32 N -0.02 6.66 -0.12 2.29 1.01 0.74 -0.17 116.67 127.05 3hhq s ASP 32 Ca -0.02 2.65 -0.02 0.00 0.71 0.00 0.00 52.55 55.88 3hhq s ASP 32 Cb -0.14 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 3hhq s ASP 32 CO 0.03 -0.71 -0.05 -0.63 0.21 0.00 0.00 175.17 174.03 3hhq s ILE 33 N 0.10 3.82 -0.05 0.77 -1.09 -0.20 -3.36 121.20 121.19 3hhq s ILE 33 Ca 0.60 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 3hhq s ILE 33 Cb -0.42 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 3hhq s ILE 33 CO 0.42 0.54 -0.07 -0.31 -1.23 0.00 0.00 174.94 174.29 3hhq s TYR 34 N -0.15 2.91 0.34 3.97 2.02 -1.26 -0.86 117.35 124.32 3hhq s TYR 34 Ca 0.02 -0.00 -0.29 0.00 -0.37 0.00 0.00 57.07 56.44 3hhq s TYR 34 Cb -0.13 -1.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.64 3hhq s TYR 34 CO 0.03 0.33 1.38 0.00 -1.57 0.00 0.00 175.55 175.72 3hhq s ALA 35 N -0.85 3.54 -2.20 3.71 0.00 -0.04 -4.50 121.76 121.43 3hhq s ALA 35 Ca 0.13 1.37 0.18 0.00 0.00 0.00 0.00 51.96 53.64 3hhq s ALA 35 Cb -0.11 -3.53 0.20 0.00 0.00 0.00 0.00 23.12 19.69 3hhq s ALA 35 CO 0.03 -0.78 1.14 -1.13 0.00 0.00 0.00 175.76 175.02 3hhq n SER 36 N 0.86 2.70 -3.64 0.00 3.41 -0.39 -0.63 113.62 115.94 3hhq n SER 36 Ca 0.01 -1.81 -0.10 0.00 -0.26 0.00 0.00 58.87 56.71 3hhq n SER 36 Cb 0.41 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.46 0.71 0.45 4.33 0.74 -1.26 -4.83 119.66 118.34 3hhq s GLN 37 Ca 0.24 0.96 -0.25 0.00 0.05 0.00 0.00 55.36 56.36 3hhq s GLN 37 Cb 0.16 0.29 -0.08 0.00 1.10 0.00 0.00 33.01 34.48 3hhq s GLN 37 CO 0.24 -0.10 1.40 -0.51 -0.55 0.00 0.00 175.29 175.76 3hhq s ASP 38 N 0.75 5.93 0.01 6.67 1.11 -1.26 -4.25 116.67 125.62 3hhq s ASP 38 Ca -0.03 2.86 -0.28 0.00 0.18 0.00 0.00 52.55 55.28 3hhq s ASP 38 Cb -0.05 -2.65 0.07 0.00 1.07 0.00 0.00 42.92 41.36 3hhq s ASP 38 CO -0.07 -1.13 0.65 -0.51 1.18 0.00 0.00 175.17 175.28 3hhq s ILE 39 N -1.22 0.00 -0.12 0.77 1.10 -0.42 -4.95 121.20 116.35 3hhq s ILE 39 Ca 0.61 -0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.74 3hhq s ILE 39 Cb -0.42 -0.99 0.02 0.00 0.15 0.00 0.00 42.46 41.21 3hhq s ILE 39 CO 0.54 -0.01 -0.16 -0.89 -2.11 0.00 0.00 174.94 172.32 3hhq s THR 40 N -1.88 1.58 -0.49 4.00 2.01 -1.26 0.03 115.64 119.62 3hhq s THR 40 Ca -0.08 -0.67 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 3hhq s THR 40 Cb -0.00 -1.45 0.04 0.00 0.01 0.00 0.00 72.50 71.10 3hhq s THR 40 CO 0.04 0.46 0.69 -0.63 -0.69 0.00 0.00 174.62 174.49 3hhq s ILE 41 N 1.13 4.77 0.61 1.82 -1.09 0.38 -4.86 121.20 123.96 3hhq s ILE 41 Ca -0.03 -0.13 -0.19 0.00 -2.23 0.00 0.00 60.65 58.07 3hhq s ILE 41 Cb -0.14 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 3hhq s ILE 41 CO -0.05 -0.79 1.18 -2.65 -1.23 0.00 0.00 174.94 171.41 3hhq n PRO 42 N 6.45 1.13 -1.62 2.79 -0.02 -1.26 -1.47 135.00 140.99 3hhq n PRO 42 Ca -0.03 0.44 -0.48 0.00 -2.02 0.00 0.00 63.50 61.41 3hhq n PRO 42 Cb 0.47 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 3hhq n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhq n ALA 43 N -1.70 0.08 -3.43 3.55 0.00 -1.26 -1.83 120.51 115.92 3hhq n ALA 43 Ca 0.14 0.45 -0.25 0.00 0.00 0.00 0.00 53.44 53.78 3hhq n ALA 43 Cb 0.47 -2.15 0.01 0.00 0.00 0.00 0.00 19.45 17.78 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 2.14 -4.40 -1.69 0.00 2.81 -0.40 -4.89 117.12 110.68 3hhq n MET 44 Ca 0.14 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.66 3hhq n MET 44 Cb 0.27 -5.42 0.00 0.00 -0.71 0.00 0.00 33.22 27.35 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 -1.41 3.64 3.24 3.03 0.00 -0.76 -4.93 105.19 108.01 3hhq n GLY 45 Ca -0.02 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.84 0.91 0.27 1.61 -2.07 -1.26 0.04 119.66 117.32 3hhq s GLN 46 Ca 0.00 -0.83 -0.10 0.00 -1.82 0.00 0.00 55.36 52.61 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 -0.31 0.54 0.41 -1.32 0.00 0.00 175.29 174.60 3hhq n GLY 47 N -0.04 1.35 3.01 2.60 0.00 -0.10 -4.49 105.19 107.52 3hhq n GLY 47 Ca -0.16 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 3hhq n GLY 47 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hhq s MET 48 N -2.09 1.33 -0.22 1.61 1.75 -1.26 -1.64 119.30 118.78 3hhq s MET 48 Ca 0.11 -0.36 -0.08 0.00 -1.25 0.00 0.00 55.69 54.11 3hhq s MET 48 Cb -0.03 -1.17 -0.04 0.00 2.84 0.00 0.00 34.83 36.43 3hhq s MET 48 CO 0.09 0.07 0.09 0.08 -0.65 0.00 0.00 175.02 174.70 3hhq s VAL 49 N 0.45 4.77 0.49 10.11 1.01 0.28 -4.94 120.40 132.57 3hhq s VAL 49 Ca -0.09 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 3hhq s VAL 49 Cb -0.13 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3hhq s VAL 49 CO 0.02 0.38 1.03 -0.44 0.00 0.00 0.00 175.10 176.08 3hhq s SER 50 N 1.06 6.38 0.00 3.32 0.01 -1.26 -1.96 113.70 121.25 3hhq s SER 50 Ca 0.05 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.18 3hhq s SER 50 Cb -0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.54 3hhq s SER 50 CO 0.04 -0.75 0.00 0.35 0.41 0.00 0.00 173.24 173.28 3hhq n THR 51 N -1.05 0.00 -2.50 1.44 -2.24 -1.25 -1.26 114.28 107.41 3hhq n THR 51 Ca 0.09 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 3hhq n THR 51 Cb 0.53 -0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.31 -3.62 -4.35 3.42 8.00 -1.26 -4.40 116.55 113.03 3hhq n ASP 52 Ca 0.00 0.19 -0.26 0.00 0.71 0.00 0.00 54.79 55.43 3hhq n ASP 52 Cb 0.18 -3.09 -0.13 0.00 -0.02 0.00 0.00 41.12 38.07 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 -2.58 2.03 0.21 0.53 -4.36 -1.26 0.20 121.20 115.96 3hhq s ILE 53 Ca 0.02 -1.72 0.11 0.00 -0.26 0.00 0.00 60.65 58.80 3hhq s ILE 53 Cb -0.01 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 3hhq s ILE 53 CO 0.03 -0.02 -0.17 -0.44 0.24 0.00 0.00 174.94 174.58 3hhq s SER 54 N -2.12 3.81 -0.01 4.36 0.01 -0.58 -1.28 113.70 117.88 3hhq s SER 54 Ca 0.12 -0.78 -0.10 0.00 1.31 0.00 0.00 55.95 56.50 3hhq s SER 54 Cb -0.09 -0.46 0.01 0.00 0.21 0.00 0.00 66.02 65.69 3hhq s SER 54 CO 0.06 0.09 0.20 0.72 0.41 0.00 0.00 173.24 174.73 3hhq s PHE 55 N -1.86 -0.06 -0.33 2.43 -0.71 -1.26 -0.71 117.98 115.48 3hhq s PHE 55 Ca 0.24 0.07 -0.09 0.00 -1.04 0.00 0.00 56.93 56.11 3hhq s PHE 55 Cb -0.08 0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.76 3hhq s PHE 55 CO 0.13 -0.31 0.15 0.99 -1.34 0.00 0.00 175.22 174.85 3hhq s THR 56 N -1.22 4.43 0.69 -4.49 2.01 -0.57 -4.78 115.64 111.71 3hhq s THR 56 Ca -0.13 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 3hhq s THR 56 Cb -0.06 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3hhq s THR 56 CO 0.02 -0.03 1.06 0.68 -0.69 0.00 0.00 174.62 175.66 3hhq s VAL 57 N 1.56 4.00 0.75 3.82 -7.23 -1.26 -1.82 120.40 120.22 3hhq s VAL 57 Ca 0.03 0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 60.71 3hhq s VAL 57 Cb -0.18 -3.52 0.05 0.00 0.56 0.00 0.00 36.38 33.30 3hhq s VAL 57 CO 0.05 -0.85 1.18 -2.84 -0.31 0.00 0.00 175.10 172.33 3hhq s PRO 58 N -5.17 2.05 0.30 4.82 0.02 -1.24 -4.91 135.00 130.87 3hhq s PRO 58 Ca 0.57 1.63 -0.27 0.00 0.02 0.00 0.00 61.00 62.95 3hhq s PRO 58 Cb -0.13 -1.84 -0.14 0.00 0.02 0.00 0.00 34.50 32.42 3hhq s PRO 58 CO 0.54 -1.87 0.95 0.28 -0.33 0.00 0.00 177.00 176.57 3hhq n VAL 59 N -2.99 2.02 -0.93 3.83 0.31 -1.26 -2.65 118.33 116.66 3hhq n VAL 59 Ca 0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3hhq n VAL 59 Cb 0.51 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3hhq n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hhq n GLY 60 N 1.30 0.54 3.30 2.92 0.00 -1.26 -4.90 105.19 107.09 3hhq n GLY 60 Ca 0.10 0.00 -0.16 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 -2.03 0.86 0.40 2.61 -4.23 -1.08 -1.01 115.64 111.16 3hhq s THR 61 Ca 0.00 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.57 3hhq s THR 61 Cb 0.00 -2.29 -0.08 0.00 1.34 0.00 0.00 72.50 71.48 3hhq s THR 61 CO 0.00 -0.35 0.01 -0.72 -0.54 0.00 0.00 174.62 173.02 3hhq s TYR 62 N -3.53 2.47 -0.34 3.99 1.13 -0.59 -4.54 117.35 115.94 3hhq s TYR 62 Ca 0.28 -0.68 -0.15 0.00 -1.41 0.00 0.00 57.07 55.10 3hhq s TYR 62 Cb 0.06 -1.72 -0.01 0.00 -1.10 0.00 0.00 41.96 39.19 3hhq s TYR 62 CO 0.07 0.43 0.36 0.20 -2.51 0.00 0.00 175.55 174.10 3hhq s GLY 63 N -3.69 1.90 -0.24 5.49 0.00 -0.28 -2.27 107.32 108.24 3hhq s GLY 63 Ca 0.35 -1.21 -0.18 0.00 0.00 0.00 0.00 44.72 43.68 3hhq s GLY 63 CO 0.18 0.99 0.51 -1.60 0.00 0.00 0.00 173.10 173.18 3hhq s ARG 64 N 2.02 4.11 -0.49 2.90 3.52 0.14 -0.88 118.95 130.25 3hhq s ARG 64 Ca 0.12 0.34 -0.27 0.00 -0.13 0.00 0.00 55.73 55.79 3hhq s ARG 64 Cb -0.17 -3.62 0.03 0.00 -1.56 0.00 0.00 34.95 29.63 3hhq s ARG 64 CO 0.12 -0.28 1.02 0.42 -0.81 0.00 0.00 175.30 175.77 3hhq s ILE 65 N 2.07 4.32 0.24 4.11 1.01 0.25 -0.70 121.20 132.51 3hhq s ILE 65 Ca 0.22 0.83 0.11 0.00 0.00 0.00 0.00 60.65 61.81 3hhq s ILE 65 Cb -0.16 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.73 3hhq s ILE 65 CO 0.09 -0.99 -0.17 0.00 0.00 0.00 0.00 174.94 173.87 3hhq s ALA 66 N 4.14 2.77 0.53 9.38 0.00 0.61 -4.69 121.76 134.51 3hhq s ALA 66 Ca 0.40 -1.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 3hhq s ALA 66 Cb -0.09 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 3hhq s ALA 66 CO 0.27 0.35 1.13 -1.25 0.00 0.00 0.00 175.76 176.26 3hhq s PRO 67 N -3.18 3.41 0.11 0.00 0.04 -1.26 -1.23 135.00 132.90 3hhq s PRO 67 Ca 0.27 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 3hhq s PRO 67 Cb -0.07 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 3hhq s PRO 67 CO 0.14 -0.81 1.11 1.03 0.04 0.00 0.00 177.00 178.51 3hhq s ARG 68 N -3.21 4.54 0.18 4.56 0.52 -1.26 -4.62 118.95 119.67 3hhq s ARG 68 Ca 0.72 1.68 -0.11 0.00 -0.52 0.00 0.00 55.73 57.50 3hhq s ARG 68 Cb -0.24 -3.33 0.09 0.00 0.52 0.00 0.00 34.95 31.99 3hhq s ARG 68 CO 0.28 -0.04 1.74 0.77 0.02 0.00 0.00 175.30 178.07 3hhq h SER 69 N 5.88 0.88 -0.28 0.23 0.02 -1.96 -2.68 113.55 115.64 3hhq h SER 69 Ca -0.43 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.33 3hhq h SER 69 Cb 1.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3hhq h SER 69 CO 0.75 0.81 0.09 1.23 -1.14 0.00 0.00 176.83 178.58 3hhq h GLY 70 N 0.90 0.46 1.48 -3.77 0.00 -1.99 -1.99 103.07 98.16 3hhq h GLY 70 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3hhq h GLY 70 CO -0.02 0.25 0.24 1.41 0.00 0.00 0.00 176.54 178.42 3hhq h LEU 71 N 0.29 0.61 -0.62 3.11 3.38 -1.92 -0.09 115.31 120.07 3hhq h LEU 71 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hhq h LEU 71 Cb 0.23 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3hhq h LEU 71 CO -0.00 0.52 0.28 0.00 0.09 0.00 0.00 178.44 179.33 3hhq h ALA 72 N 1.58 0.80 0.23 1.53 0.00 -1.10 -0.96 119.26 121.34 3hhq h ALA 72 Ca 0.17 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 3hhq h ALA 72 Cb 0.07 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hhq h ALA 72 CO -0.02 0.38 -1.45 0.28 0.00 0.00 0.00 179.25 178.44 3hhq h VAL 73 N 0.86 1.25 0.07 0.00 2.07 -0.90 -2.81 116.25 116.78 3hhq h VAL 73 Ca 0.21 -2.64 -0.26 0.00 0.82 0.00 0.00 66.70 64.83 3hhq h VAL 73 Cb 0.15 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 3hhq h VAL 73 CO -0.02 0.80 -1.28 0.11 0.02 0.00 0.00 177.57 177.20 3hhq h LYS 74 N 0.07 0.14 0.00 1.57 1.57 -1.11 -3.39 116.57 115.42 3hhq h LYS 74 Ca -0.26 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3hhq h LYS 74 Cb 2.09 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.49 3hhq h LYS 74 CO 0.24 1.04 0.00 0.09 -0.57 0.00 0.00 179.45 180.25 3hhq n ASN 75 N -3.39 0.39 -2.09 0.86 3.02 -0.42 -5.02 115.26 108.60 3hhq n ASN 75 Ca -0.08 -1.06 -0.20 0.00 -0.03 0.00 0.00 54.58 53.21 3hhq n ASN 75 Cb 1.00 0.00 -0.03 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 -0.03 0.07 3.76 7.41 0.00 -0.94 -4.18 105.19 111.28 3hhq n GLY 76 Ca 0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.93 4.41 -0.02 -0.61 -1.09 -0.84 -1.50 121.20 118.62 3hhq s ILE 77 Ca 0.00 1.80 0.03 0.00 -2.23 0.00 0.00 60.65 60.25 3hhq s ILE 77 Cb 0.00 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.69 3hhq s ILE 77 CO 0.00 0.46 -0.09 -1.58 -1.23 0.00 0.00 174.94 172.50 3hhq s GLN 78 N -0.78 0.91 0.26 2.79 2.00 -0.46 -3.66 119.66 120.72 3hhq s GLN 78 Ca 0.39 -0.33 -0.30 0.00 -2.00 0.00 0.00 55.36 53.12 3hhq s GLN 78 Cb -0.23 -0.86 -0.09 0.00 0.80 0.00 0.00 33.01 32.63 3hhq s GLN 78 CO 0.27 0.15 1.07 0.95 -0.50 0.00 0.00 175.29 177.23 3hhq s THR 79 N 0.03 3.63 0.37 -0.34 -4.23 -1.26 -0.09 115.64 113.76 3hhq s THR 79 Ca -0.01 1.61 0.03 0.00 -1.18 0.00 0.00 61.69 62.14 3hhq s THR 79 Cb -0.07 -4.03 0.03 0.00 1.34 0.00 0.00 72.50 69.77 3hhq s THR 79 CO 0.00 0.37 0.22 0.61 -0.54 0.00 0.00 174.62 175.29 3hhq n GLY 80 N 1.33 3.03 6.50 3.99 0.00 -0.15 -4.87 105.19 115.03 3hhq n GLY 80 Ca -0.01 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.74 3hhq n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhq n ALA 81 N -2.14 0.00 0.00 4.61 0.00 -1.26 -4.44 120.51 117.27 3hhq n ALA 81 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hhq n ALA 81 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.83 3.48 0.00 0.00 -1.26 -4.91 105.19 103.33 3hhq n GLY 82 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3hhq n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhq s VAL 83 N -2.00 5.03 -0.33 1.61 1.01 -1.26 -0.58 120.40 123.87 3hhq s VAL 83 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3hhq s VAL 83 Cb 0.00 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.29 3hhq s VAL 83 CO 0.00 -0.51 0.16 -0.69 0.00 0.00 0.00 175.10 174.06 3hhq s VAL 84 N 2.26 4.47 0.61 2.92 1.01 -0.06 -4.98 120.40 126.63 3hhq s VAL 84 Ca 0.13 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 3hhq s VAL 84 Cb -0.17 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3hhq s VAL 84 CO 0.14 -0.06 1.09 -1.81 0.00 0.00 0.00 175.10 174.46 3hhq s ASP 85 N 1.57 5.51 0.58 3.32 -0.00 -1.26 -1.13 116.67 125.26 3hhq s ASP 85 Ca 0.03 1.95 0.33 0.00 -0.00 0.00 0.00 52.55 54.85 3hhq s ASP 85 Cb -0.18 -2.55 1.81 0.00 -0.00 0.00 0.00 42.92 42.00 3hhq s ASP 85 CO 0.06 -1.36 2.21 -0.09 -0.00 0.00 0.00 175.17 175.99 3hhq h ARG 86 N 0.41 0.00 -0.02 8.23 2.43 -1.91 -2.36 114.38 121.17 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 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3hhq h ARG 86 CO 0.56 0.04 -0.15 -0.40 -1.51 0.00 0.00 179.97 178.52 3hhq n ASP 87 N -3.56 1.93 -4.65 -3.80 3.85 -1.26 -4.54 116.55 104.52 3hhq n ASP 87 Ca -0.02 -1.52 -0.42 0.00 -0.71 0.00 0.00 54.79 52.11 3hhq n ASP 87 Cb 0.15 0.12 -0.03 0.00 -1.35 0.00 0.00 41.12 40.01 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 -2.20 1.70 -0.49 2.11 5.04 -0.89 -4.89 117.35 117.74 3hhq s TYR 88 Ca 0.29 0.11 0.06 0.00 -2.44 0.00 0.00 57.07 55.08 3hhq s TYR 88 Cb 0.20 -4.03 0.18 0.00 0.35 0.00 0.00 41.96 38.65 3hhq s TYR 88 CO 0.41 -4.21 1.14 0.25 -1.34 0.00 0.00 175.55 171.80 3hhq n THR 89 N 5.94 1.04 -0.85 4.34 -2.24 -1.26 -4.62 114.28 116.63 3hhq n THR 89 Ca 0.20 -1.04 -0.11 0.00 -2.27 0.00 0.00 64.05 60.82 3hhq n THR 89 Cb 0.43 0.47 0.09 0.00 -2.10 0.00 0.00 70.33 69.22 3hhq n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhq n GLY 90 N 0.01 -2.28 3.74 3.38 0.00 -1.26 -4.91 105.19 103.87 3hhq n GLY 90 Ca 0.07 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 3hhq n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hhq s GLU 91 N -3.98 4.64 -0.20 1.61 2.12 -1.26 -4.38 118.70 117.25 3hhq s GLU 91 Ca 0.27 1.67 -0.29 0.00 0.36 0.00 0.00 54.97 56.99 3hhq s GLU 91 Cb -0.02 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3hhq s GLU 91 CO 0.20 0.16 1.00 0.08 -0.54 0.00 0.00 175.26 176.17 3hhq s VAL 92 N -0.42 4.73 0.09 3.70 1.01 -0.41 -5.01 120.40 124.10 3hhq s VAL 92 Ca 0.48 1.98 0.09 0.00 0.00 0.00 0.00 61.98 64.52 3hhq s VAL 92 Cb -0.29 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 3hhq s VAL 92 CO 0.35 -0.12 -0.21 -0.54 0.00 0.00 0.00 175.10 174.58 3hhq s LYS 93 N 2.85 1.78 -0.24 2.72 -0.14 -1.26 -3.93 119.74 121.52 3hhq s LYS 93 Ca 0.44 -1.16 -0.06 0.00 -1.36 0.00 0.00 55.97 53.83 3hhq s LYS 93 Cb -0.16 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 3hhq s LYS 93 CO 0.09 0.49 0.03 0.08 -0.76 0.00 0.00 175.35 175.28 3hhq s VAL 94 N -1.04 3.90 -0.04 3.17 1.01 -0.83 -4.93 120.40 121.64 3hhq s VAL 94 Ca 0.16 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3hhq s VAL 94 Cb -0.10 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3hhq s VAL 94 CO 0.07 0.33 1.07 -0.69 0.00 0.00 0.00 175.10 175.89 3hhq s VAL 95 N 1.55 4.57 0.01 2.92 1.01 -1.26 -0.56 120.40 128.63 3hhq s VAL 95 Ca 0.06 1.85 0.06 0.00 0.00 0.00 0.00 61.98 63.95 3hhq s VAL 95 Cb -0.15 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3hhq s VAL 95 CO 0.01 0.06 -0.18 -0.76 0.00 0.00 0.00 175.10 174.22 3hhq s LEU 96 N 1.65 2.08 -0.09 3.92 1.43 -0.65 -0.97 118.68 126.05 3hhq s LEU 96 Ca 0.53 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3hhq s LEU 96 Cb -0.22 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 3hhq s LEU 96 CO 0.23 0.19 -0.03 -0.36 0.23 0.00 0.00 176.35 176.61 3hhq s PHE 97 N -0.57 3.06 -0.30 0.29 0.40 0.88 -0.93 117.98 120.81 3hhq s PHE 97 Ca 0.07 0.05 -0.02 0.00 -0.60 0.00 0.00 56.93 56.42 3hhq s PHE 97 Cb -0.08 -1.79 0.05 0.00 0.51 0.00 0.00 43.02 41.71 3hhq s PHE 97 CO 0.00 0.34 0.01 1.21 0.70 0.00 0.00 175.22 177.48 3hhq s ASN 98 N -0.65 4.90 0.00 1.36 3.84 0.11 -1.36 114.94 123.14 3hhq s ASN 98 Ca 0.10 -1.21 0.27 0.00 0.21 0.00 0.00 52.86 52.23 3hhq s ASN 98 Cb -0.12 -1.73 0.79 0.00 -0.55 0.00 0.00 41.25 39.64 3hhq s ASN 98 CO 0.02 -0.25 1.59 1.41 -2.79 0.00 0.00 177.10 177.07 3hhq n HIS 99 N 4.66 0.00 -2.18 0.43 8.25 -0.56 -1.28 115.22 124.53 3hhq n HIS 99 Ca -0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.05 3hhq n HIS 99 Cb 0.44 -0.12 0.17 0.00 1.12 0.00 0.00 29.99 31.60 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 -2.50 3.36 0.00 0.41 1.04 -1.26 -4.66 113.70 110.09 3hhq s SER 100 Ca 0.25 -0.06 0.29 0.00 0.48 0.00 0.00 55.95 56.91 3hhq s SER 100 Cb 0.19 -0.03 1.33 0.00 0.10 0.00 0.00 66.02 67.61 3hhq s SER 100 CO 0.52 -2.55 1.96 0.00 0.98 0.00 0.00 173.24 174.15 3hhq n GLN 101 N -3.50 0.22 -5.16 4.02 1.13 -1.26 -1.47 117.38 111.36 3hhq n GLN 101 Ca 0.16 -0.01 -0.32 0.00 -1.94 0.00 0.00 57.00 54.89 3hhq n GLN 101 Cb 0.60 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 29.28 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 -2.79 2.90 0.47 -1.09 3.00 -1.26 -4.80 118.95 115.38 3hhq s ARG 102 Ca 0.21 -0.86 -0.22 0.00 0.00 0.00 0.00 55.73 54.86 3hhq s ARG 102 Cb 0.20 -2.30 -0.09 0.00 0.00 0.00 0.00 34.95 32.75 3hhq s ARG 102 CO 0.51 0.27 0.96 -0.25 0.00 0.00 0.00 175.30 176.79 3hhq n ASP 103 N 3.27 0.95 -4.15 0.23 10.43 -1.26 -4.23 116.55 121.79 3hhq n ASP 103 Ca -0.18 0.96 -0.36 0.00 2.57 0.00 0.00 54.79 57.77 3hhq n ASP 103 Cb 0.53 -1.35 -0.12 0.00 1.84 0.00 0.00 41.12 42.02 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 -1.37 3.47 -0.01 1.24 5.99 -0.54 -4.90 117.98 121.86 3hhq s PHE 104 Ca 0.66 -2.15 -0.24 0.00 0.00 0.00 0.00 56.93 55.20 3hhq s PHE 104 Cb -0.51 -2.87 -0.05 0.00 0.00 0.00 0.00 43.02 39.59 3hhq s PHE 104 CO 0.54 -0.91 0.73 0.00 -0.00 0.00 0.00 175.22 175.59 3hhq s ALA 105 N 1.21 3.36 -0.04 11.12 0.00 -1.26 -0.47 121.76 135.67 3hhq s ALA 105 Ca 0.04 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3hhq s ALA 105 Cb -0.22 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3hhq s ALA 105 CO -0.02 -0.01 -0.23 0.42 0.00 0.00 0.00 175.76 175.91 3hhq s ILE 106 N 0.32 1.90 0.06 0.00 1.01 0.10 -4.98 121.20 119.62 3hhq s ILE 106 Ca 0.38 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 60.08 3hhq s ILE 106 Cb -0.19 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3hhq s ILE 106 CO 0.21 0.53 -0.06 -0.54 0.00 0.00 0.00 174.94 175.08 3hhq s LYS 107 N -0.27 2.40 -0.35 2.79 -0.14 -1.26 -1.30 119.74 121.60 3hhq s LYS 107 Ca 0.01 -0.86 -0.45 0.00 -1.36 0.00 0.00 55.97 53.31 3hhq s LYS 107 Cb -0.12 -2.44 -0.20 0.00 -1.68 0.00 0.00 37.83 33.40 3hhq s LYS 107 CO 0.02 0.55 1.46 1.17 -0.76 0.00 0.00 175.35 177.79 3hhq n LYS 108 N 1.00 0.08 0.00 1.68 4.81 -1.26 -1.52 118.16 122.95 3hhq n LYS 108 Ca -0.13 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 3hhq n LYS 108 Cb 0.52 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 34.03 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 3.33 0.35 3.76 3.14 0.00 0.19 -4.97 105.19 111.00 3hhq n GLY 109 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.97 7.36 -0.01 1.61 1.01 -0.57 -4.75 116.67 119.35 3hhq s ASP 110 Ca 0.00 2.04 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 3hhq s ASP 110 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3hhq s ASP 110 CO 0.00 -0.06 1.06 -0.13 0.21 0.00 0.00 175.17 176.25 3hhq s ARG 111 N -1.59 4.49 0.00 8.23 0.52 -1.26 -0.86 118.95 128.48 3hhq s ARG 111 Ca 0.46 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 57.19 3hhq s ARG 111 Cb -0.26 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.75 3hhq s ARG 111 CO 0.33 -0.18 0.00 1.33 0.02 0.00 0.00 175.30 176.80 3hhq n VAL 112 N 4.08 0.00 -3.81 3.52 0.24 -0.04 -4.95 118.33 117.37 3hhq n VAL 112 Ca 0.08 -0.36 -0.05 0.00 -2.04 0.00 0.00 64.34 61.97 3hhq n VAL 112 Cb 0.49 0.93 -0.00 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.91 -1.42 0.10 2.33 0.00 -1.22 -4.69 121.76 115.94 3hhq s ALA 113 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 51.85 3hhq s ALA 113 Cb 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 3hhq s ALA 113 CO 0.00 -1.04 -0.24 1.14 0.00 0.00 0.00 175.76 175.62 3hhq s GLN 114 N -2.95 1.37 -0.21 0.00 -2.07 -0.36 -1.03 119.66 114.40 3hhq s GLN 114 Ca 0.15 -1.20 -0.13 0.00 -1.82 0.00 0.00 55.36 52.36 3hhq s GLN 114 Cb -0.03 -1.70 -0.05 0.00 -1.09 0.00 0.00 33.01 30.15 3hhq s GLN 114 CO 0.05 0.41 0.27 -1.17 -1.32 0.00 0.00 175.29 173.53 3hhq s LEU 115 N -1.78 4.15 -0.14 2.60 2.96 0.76 -0.28 118.68 126.95 3hhq s LEU 115 Ca 0.10 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3hhq s LEU 115 Cb -0.10 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.29 3hhq s LEU 115 CO 0.04 0.02 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.28 3hhq s ILE 116 N 1.03 2.42 -1.20 6.68 1.01 0.12 -0.94 121.20 130.33 3hhq s ILE 116 Ca 0.13 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 3hhq s ILE 116 Cb -0.14 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.37 3hhq s ILE 116 CO 0.05 0.53 1.73 -0.76 0.00 0.00 0.00 174.94 176.50 3hhq s LEU 117 N 0.68 3.58 -0.10 2.97 1.43 -1.26 -0.69 118.68 125.30 3hhq s LEU 117 Ca -0.09 -2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 50.72 3hhq s LEU 117 Cb -0.16 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 3hhq s LEU 117 CO 0.02 -1.69 1.36 -1.61 0.23 0.00 0.00 176.35 174.66 3hhq s GLU 118 N 4.96 4.25 0.14 1.70 0.41 -0.96 -4.90 118.70 124.29 3hhq s GLU 118 Ca 0.56 1.82 -0.30 0.00 -0.41 0.00 0.00 54.97 56.64 3hhq s GLU 118 Cb 0.02 -3.75 -0.07 0.00 -1.78 0.00 0.00 34.13 28.55 3hhq s GLU 118 CO 0.05 -0.68 1.22 0.15 -0.49 0.00 0.00 175.26 175.51 3hhq s LYS 119 N 3.23 4.46 0.09 1.61 1.02 -1.26 -1.54 119.74 127.35 3hhq s LYS 119 Ca 0.60 1.86 -0.03 0.00 0.02 0.00 0.00 55.97 58.42 3hhq s LYS 119 Cb -0.26 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 3hhq s LYS 119 CO 0.21 -0.18 0.05 0.96 -0.92 0.00 0.00 175.35 175.47 3hhq s ILE 120 N 0.43 0.16 -0.40 2.17 -4.36 -0.18 -4.96 121.20 114.07 3hhq s ILE 120 Ca 0.56 -1.74 -0.19 0.00 -0.26 0.00 0.00 60.65 59.02 3hhq s ILE 120 Cb -0.32 -1.71 0.01 0.00 1.25 0.00 0.00 42.46 41.70 3hhq s ILE 120 CO 0.33 -0.72 0.54 -0.69 0.24 0.00 0.00 174.94 174.65 3hhq s VAL 121 N -3.96 4.97 -1.54 8.37 1.01 -1.26 -4.69 120.40 123.29 3hhq s VAL 121 Ca 0.13 0.09 0.16 0.00 0.00 0.00 0.00 61.98 62.36 3hhq s VAL 121 Cb 0.07 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.40 3hhq s VAL 121 CO -0.05 -0.40 0.87 -0.90 0.00 0.00 0.00 175.10 174.62 3hhq n ASP 122 N 5.89 1.73 -1.25 3.32 3.85 -1.26 -4.59 116.55 124.24 3hhq n ASP 122 Ca -0.04 -1.37 -0.03 0.00 -0.71 0.00 0.00 54.79 52.64 3hhq n ASP 122 Cb 0.48 0.38 0.12 0.00 -1.35 0.00 0.00 41.12 40.76 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 0.06 2.57 -4.74 -1.12 3.85 -1.26 -5.04 116.55 110.87 3hhq n ASP 123 Ca 0.07 -3.54 -0.41 0.00 -0.71 0.00 0.00 54.79 50.20 3hhq n ASP 123 Cb 0.34 -0.45 -0.04 0.00 -1.35 0.00 0.00 41.12 39.62 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 -3.03 3.35 0.16 2.12 0.00 -1.26 -5.01 121.76 118.09 3hhq s ALA 124 Ca 0.41 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 3hhq s ALA 124 Cb 0.38 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 3hhq s ALA 124 CO -0.05 -0.12 1.10 1.14 0.00 0.00 0.00 175.76 177.84 3hhq s GLN 125 N -0.57 4.58 -0.01 0.00 -2.07 -1.26 -5.02 119.66 115.31 3hhq s GLN 125 Ca 0.47 1.71 -0.20 0.00 -1.82 0.00 0.00 55.36 55.52 3hhq s GLN 125 Cb -0.28 -3.29 -0.05 0.00 -1.09 0.00 0.00 33.01 28.29 3hhq s GLN 125 CO 0.35 0.05 0.57 0.42 -1.32 0.00 0.00 175.29 175.36 3hhq s ILE 126 N -0.10 4.93 -0.07 3.63 1.01 -1.26 -5.05 121.20 124.28 3hhq s ILE 126 Ca 0.50 1.19 -0.03 0.00 0.00 0.00 0.00 60.65 62.31 3hhq s ILE 126 Cb -0.29 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.32 3hhq s ILE 126 CO 0.34 0.43 0.15 -0.69 0.00 0.00 0.00 174.94 175.17 3hhq s VAL 127 N -0.24 -0.14 -0.24 2.92 1.01 -1.26 -5.13 120.40 117.31 3hhq s VAL 127 Ca 0.30 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 3hhq s VAL 127 Cb -0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3hhq s VAL 127 CO 0.16 0.11 0.12 -0.69 0.00 0.00 0.00 175.10 174.80 3hhq s VAL 128 N 1.67 4.94 0.20 2.92 1.01 -1.26 -5.09 120.40 124.78 3hhq s VAL 128 Ca -0.04 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.08 3hhq s VAL 128 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3hhq s VAL 128 CO -0.06 0.35 -0.22 0.68 0.00 0.00 0.00 175.10 175.85 3hhq s VAL 129 N 1.19 2.22 0.08 2.92 -7.23 -1.26 -5.06 120.40 113.26 3hhq s VAL 129 Ca 0.06 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 3hhq s VAL 129 Cb -0.14 -2.08 -0.13 0.00 0.56 0.00 0.00 36.38 34.59 3hhq s VAL 129 CO 0.05 -0.22 1.64 0.44 -0.31 0.00 0.00 175.10 176.70 3hhq h ASP 130 N 3.06 0.11 -5.07 4.85 3.32 -2.10 -3.45 116.42 117.14 3hhq h ASP 130 Ca -0.44 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.40 3hhq h ASP 130 Cb 1.22 -0.03 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 3hhq h ASP 130 CO 0.51 0.21 -0.23 -0.94 -1.72 0.00 0.00 179.24 177.06 3hhq s SER 131 N -5.42 -0.11 0.00 6.45 1.04 -1.26 -5.36 113.70 109.04 3hhq s SER 131 Ca -0.14 -0.28 0.28 0.00 0.48 0.00 0.00 55.95 56.30 3hhq s SER 131 Cb 0.06 0.38 1.10 0.00 0.10 0.00 0.00 66.02 67.66 3hhq s SER 131 CO 0.68 -0.68 1.78 0.18 0.98 0.00 0.00 173.24 176.18