#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 4.68 -0.38 -0.18 1.01 -1.26 -5.03 120.40 119.23 3hhq s VAL 8 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 3hhq s VAL 8 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3hhq s VAL 8 CO 0.00 0.56 0.22 -0.22 0.00 0.00 0.00 175.10 175.67 3hhq s LEU 9 N -0.51 4.76 -0.16 3.92 2.96 -1.26 -3.70 118.68 124.69 3hhq s LEU 9 Ca 0.10 -0.96 -0.25 0.00 -0.22 0.00 0.00 54.13 52.80 3hhq s LEU 9 Cb -0.12 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3hhq s LEU 9 CO 0.02 -0.39 0.80 -0.54 -1.32 0.00 0.00 176.35 174.93 3hhq s LYS 10 N 1.58 4.30 -0.13 1.98 1.02 -0.90 -4.96 119.74 122.63 3hhq s LYS 10 Ca 0.03 0.98 0.01 0.00 0.02 0.00 0.00 55.97 57.00 3hhq s LYS 10 Cb -0.19 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 3hhq s LYS 10 CO 0.07 -0.28 -0.16 0.42 -0.92 0.00 0.00 175.35 174.48 3hhq s ILE 11 N 2.00 2.72 -0.19 2.17 -1.09 -1.26 -0.93 121.20 124.62 3hhq s ILE 11 Ca 0.38 -0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 57.99 3hhq s ILE 11 Cb -0.17 -2.13 -0.02 0.00 -1.58 0.00 0.00 42.46 38.57 3hhq s ILE 11 CO 0.13 0.53 -0.04 -1.58 -1.23 0.00 0.00 174.94 172.74 3hhq s GLN 12 N 0.51 3.48 -0.37 2.79 0.74 0.69 -4.99 119.66 122.52 3hhq s GLN 12 Ca -0.11 -0.59 -0.20 0.00 0.05 0.00 0.00 55.36 54.51 3hhq s GLN 12 Cb -0.16 -2.96 0.00 0.00 1.10 0.00 0.00 33.01 30.99 3hhq s GLN 12 CO 0.04 -0.03 0.61 -0.51 -0.55 0.00 0.00 175.29 174.86 3hhq s LEU 13 N 1.05 4.31 0.28 3.68 1.43 -1.26 -1.45 118.68 126.71 3hhq s LEU 13 Ca 0.01 0.04 0.22 0.00 -1.03 0.00 0.00 54.13 53.37 3hhq s LEU 13 Cb -0.15 -2.73 0.11 0.00 0.03 0.00 0.00 46.19 43.45 3hhq s LEU 13 CO 0.00 -0.59 1.24 0.03 0.23 0.00 0.00 176.35 177.26 3hhq h ARG 14 N 8.52 0.00 -4.17 1.70 3.08 -1.08 -3.47 114.38 118.96 3hhq h ARG 14 Ca -0.27 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.60 3hhq h ARG 14 Cb 1.11 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.05 3hhq h ARG 14 CO 0.83 0.06 -0.36 -1.54 -1.07 0.00 0.00 179.97 177.89 3hhq s SER 15 N -5.75 0.24 0.14 7.04 1.04 -1.25 -5.02 113.70 110.14 3hhq s SER 15 Ca 0.02 -1.24 0.17 0.00 0.48 0.00 0.00 55.95 55.38 3hhq s SER 15 Cb 0.08 0.51 0.75 0.00 0.10 0.00 0.00 66.02 67.46 3hhq s SER 15 CO 0.75 -1.03 1.53 0.00 0.98 0.00 0.00 173.24 175.46 3hhq n ALA 16 N -0.37 1.51 0.51 5.32 0.00 -1.26 -2.67 120.51 123.54 3hhq n ALA 16 Ca 0.01 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.61 3hhq n ALA 16 Cb 0.64 -1.27 0.31 0.00 0.00 0.00 0.00 19.45 19.12 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 -4.09 0.00 0.02 -1.95 -3.46 113.55 104.07 3hhq h SER 17 Ca 0.00 -0.03 -0.45 0.00 -0.84 0.00 0.00 61.79 60.46 3hhq h SER 17 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3hhq h SER 17 CO 0.00 0.02 0.36 0.00 -1.14 0.00 0.00 176.83 176.06 3hhq s ALA 18 N -3.14 2.98 -0.10 3.77 0.00 -1.09 -4.41 121.76 119.77 3hhq s ALA 18 Ca 0.09 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.52 3hhq s ALA 18 Cb 0.11 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3hhq s ALA 18 CO 0.64 -0.07 -0.23 0.99 0.00 0.00 0.00 175.76 177.08 3hhq s THR 19 N -2.19 1.99 0.25 0.00 2.01 -1.26 -4.99 115.64 111.45 3hhq s THR 19 Ca 0.63 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 61.34 3hhq s THR 19 Cb -0.11 -1.73 -0.12 0.00 0.01 0.00 0.00 72.50 70.55 3hhq s THR 19 CO 0.18 0.55 1.67 0.52 -0.69 0.00 0.00 174.62 176.84 3hhq n VAL 20 N 3.55 0.52 -1.72 3.82 0.31 -1.26 -4.70 118.33 118.86 3hhq n VAL 20 Ca -0.19 -0.13 -0.38 0.00 -0.01 0.00 0.00 64.34 63.63 3hhq n VAL 20 Cb 0.53 -1.99 0.05 0.00 -0.91 0.00 0.00 33.84 31.52 3hhq n VAL 20 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3hhq n PRO 21 N 3.06 1.41 -4.38 5.55 -0.02 -1.26 -4.97 135.00 134.39 3hhq n PRO 21 Ca 0.12 0.53 -0.21 0.00 -2.02 0.00 0.00 63.50 61.92 3hhq n PRO 21 Cb 0.36 -2.49 -0.16 0.00 -0.02 0.00 0.00 33.50 31.20 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 -1.34 0.79 0.33 3.45 -4.23 -0.95 -4.84 115.64 108.85 3hhq s THR 22 Ca 0.75 -0.35 -0.27 0.00 -1.18 0.00 0.00 61.69 60.65 3hhq s THR 22 Cb -0.41 -0.72 -0.09 0.00 1.34 0.00 0.00 72.50 72.62 3hhq s THR 22 CO 0.47 0.25 1.01 -0.54 -0.54 0.00 0.00 174.62 175.27 3hhq s LYS 23 N 0.32 4.50 0.03 3.99 1.02 -1.26 0.63 119.74 128.97 3hhq s LYS 23 Ca -0.05 1.52 0.22 0.00 0.02 0.00 0.00 55.97 57.68 3hhq s LYS 23 Cb -0.10 -2.87 -0.15 0.00 -0.52 0.00 0.00 37.83 34.19 3hhq s LYS 23 CO 0.01 0.16 0.80 0.41 -0.92 0.00 0.00 175.35 175.81 3hhq n GLY 24 N 0.76 -1.14 3.79 -3.33 0.00 -1.26 -4.94 105.19 99.07 3hhq n GLY 24 Ca 0.02 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.23 -0.00 0.17 1.61 1.04 -1.26 -5.04 113.70 105.99 3hhq s SER 25 Ca -0.01 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.36 3hhq s SER 25 Cb 0.14 0.79 0.05 0.00 0.10 0.00 0.00 66.02 67.09 3hhq s SER 25 CO 0.85 -1.54 1.46 0.00 0.98 0.00 0.00 173.24 174.99 3hhq h ALA 26 N 2.02 0.61 -0.26 5.32 0.00 -2.01 -2.95 119.26 121.99 3hhq h ALA 26 Ca -0.28 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3hhq h ALA 26 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hhq h ALA 26 CO 0.35 0.70 0.00 0.25 0.00 0.00 0.00 179.25 180.55 3hhq n THR 27 N -3.94 2.25 -1.62 0.00 -2.24 -1.26 -5.00 114.28 102.47 3hhq n THR 27 Ca -0.04 -1.87 -0.47 0.00 -2.27 0.00 0.00 64.05 59.40 3hhq n THR 27 Cb 0.64 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.50 -0.01 0.14 6.98 0.00 -1.12 -4.88 120.51 121.11 3hhq n ALA 28 Ca 0.21 0.44 0.02 0.00 0.00 0.00 0.00 53.44 54.11 3hhq n ALA 28 Cb 0.88 -2.13 0.39 0.00 0.00 0.00 0.00 19.45 18.59 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 3.67 1.48 -2.21 0.00 0.00 -1.94 -3.47 119.26 116.79 3hhq h ALA 29 Ca -0.44 -0.23 -0.44 0.00 0.00 0.00 0.00 54.91 53.80 3hhq h ALA 29 Cb 1.32 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 3hhq h ALA 29 CO 0.72 0.37 -0.56 0.20 0.00 0.00 0.00 179.25 179.98 3hhq s GLY 30 N -4.11 2.14 -0.13 0.00 0.00 -1.26 -4.45 107.32 99.51 3hhq s GLY 30 Ca -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 42.97 3hhq s GLY 30 CO 0.73 -1.65 -0.15 -0.19 0.00 0.00 0.00 173.10 171.84 3hhq s TYR 31 N -3.51 2.77 0.25 1.90 1.51 -0.31 -4.47 117.35 115.48 3hhq s TYR 31 Ca 0.34 -0.77 -0.31 0.00 -1.01 0.00 0.00 57.07 55.32 3hhq s TYR 31 Cb 0.05 -1.83 -0.12 0.00 -0.11 0.00 0.00 41.96 39.94 3hhq s TYR 31 CO 0.17 -0.29 1.57 -0.25 -1.11 0.00 0.00 175.55 175.65 3hhq n ASP 32 N 3.62 3.53 -4.46 2.29 8.00 0.21 -0.73 116.55 129.01 3hhq n ASP 32 Ca -0.18 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 56.09 3hhq n ASP 32 Cb 0.53 -1.53 -0.12 0.00 -0.02 0.00 0.00 41.12 39.97 3hhq n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hhq s ILE 33 N 0.31 3.91 -0.14 0.53 1.01 -0.49 -2.23 121.20 124.10 3hhq s ILE 33 Ca 0.69 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.93 3hhq s ILE 33 Cb -0.56 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3hhq s ILE 33 CO 0.44 0.46 0.09 -0.31 0.00 0.00 0.00 174.94 175.62 3hhq s TYR 34 N 0.75 3.38 0.31 3.97 2.02 -1.26 -0.41 117.35 126.10 3hhq s TYR 34 Ca -0.01 0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.69 3hhq s TYR 34 Cb -0.14 -1.99 -0.12 0.00 -0.40 0.00 0.00 41.96 39.31 3hhq s TYR 34 CO 0.02 0.44 1.46 0.00 -1.57 0.00 0.00 175.55 175.90 3hhq n ALA 35 N 2.72 1.90 0.84 3.71 0.00 0.03 -4.50 120.51 125.21 3hhq n ALA 35 Ca -0.18 0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3hhq n ALA 35 Cb 0.53 -2.36 0.17 0.00 0.00 0.00 0.00 19.45 17.79 3hhq n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hhq n SER 36 N 1.48 3.00 -3.68 0.00 3.41 -0.25 -0.93 113.62 116.64 3hhq n SER 36 Ca 0.07 -1.96 -0.14 0.00 -0.26 0.00 0.00 58.87 56.58 3hhq n SER 36 Cb 0.36 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.85 0.68 0.34 4.33 0.74 -1.26 -4.83 119.66 117.82 3hhq s GLN 37 Ca 0.32 0.57 -0.29 0.00 0.05 0.00 0.00 55.36 56.02 3hhq s GLN 37 Cb 0.21 0.33 -0.11 0.00 1.10 0.00 0.00 33.01 34.54 3hhq s GLN 37 CO 0.31 -0.12 1.39 -0.51 -0.55 0.00 0.00 175.29 175.81 3hhq s ASP 38 N -0.09 6.59 -0.28 6.67 1.11 -1.26 -4.18 116.67 125.24 3hhq s ASP 38 Ca -0.03 2.83 -0.25 0.00 0.18 0.00 0.00 52.55 55.28 3hhq s ASP 38 Cb -0.03 -2.65 0.10 0.00 1.07 0.00 0.00 42.92 41.40 3hhq s ASP 38 CO 0.02 -0.68 0.88 -0.51 1.18 0.00 0.00 175.17 176.06 3hhq s ILE 39 N -1.03 0.00 -0.19 0.77 2.07 -0.03 -4.97 121.20 117.81 3hhq s ILE 39 Ca 0.51 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.66 3hhq s ILE 39 Cb -0.43 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.11 3hhq s ILE 39 CO 0.56 0.00 0.14 -0.89 -1.91 0.00 0.00 174.94 172.84 3hhq s THR 40 N 0.33 5.42 -0.28 4.00 2.01 -1.26 -0.02 115.64 125.83 3hhq s THR 40 Ca 0.01 0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 3hhq s THR 40 Cb -0.05 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3hhq s THR 40 CO -0.03 0.45 0.41 -0.63 -0.69 0.00 0.00 174.62 174.13 3hhq s ILE 41 N 0.24 5.14 0.48 1.82 -1.09 -0.11 -4.87 121.20 122.81 3hhq s ILE 41 Ca 0.09 0.56 -0.22 0.00 -2.23 0.00 0.00 60.65 58.84 3hhq s ILE 41 Cb -0.11 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 36.95 3hhq s ILE 41 CO -0.01 0.09 1.16 -2.84 -1.23 0.00 0.00 174.94 172.11 3hhq s PRO 42 N 2.13 3.66 0.26 2.79 0.02 -1.26 -0.79 135.00 141.81 3hhq s PRO 42 Ca 0.16 1.74 -0.29 0.00 0.02 0.00 0.00 61.00 62.63 3hhq s PRO 42 Cb -0.16 -2.31 -0.14 0.00 0.02 0.00 0.00 34.50 31.91 3hhq s PRO 42 CO 0.10 -0.63 1.05 0.00 -0.33 0.00 0.00 177.00 177.19 3hhq n ALA 43 N -0.68 -0.38 -1.71 -1.55 0.00 -1.26 -0.99 120.51 113.94 3hhq n ALA 43 Ca 0.08 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 3hhq n ALA 43 Cb 0.49 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 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 1.03 -1.52 0.00 0.00 2.81 0.74 -4.89 117.12 115.29 3hhq n MET 44 Ca 0.11 0.89 0.00 0.00 -1.81 0.00 0.00 57.70 56.89 3hhq n MET 44 Cb 0.30 -5.27 0.00 0.00 -0.71 0.00 0.00 33.22 27.54 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 -0.45 6.91 3.20 3.03 0.00 -0.16 -4.93 105.19 112.78 3hhq n GLY 45 Ca -0.17 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 1.10 0.92 0.30 1.61 -2.07 -1.26 0.12 119.66 120.38 3hhq s GLN 46 Ca 0.00 -1.27 -0.10 0.00 -1.82 0.00 0.00 55.36 52.18 3hhq s GLN 46 Cb 0.00 0.28 0.01 0.00 -1.09 0.00 0.00 33.01 32.21 3hhq s GLN 46 CO 0.00 -0.28 0.52 0.20 -1.32 0.00 0.00 175.29 174.41 3hhq s GLY 47 N -2.98 0.83 -0.06 2.60 0.00 -0.78 -4.43 107.32 102.50 3hhq s GLY 47 Ca 0.17 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 43.87 3hhq s GLY 47 CO -0.03 -0.71 -0.25 1.06 0.00 0.00 0.00 173.10 173.18 3hhq s MET 48 N -3.48 2.63 -0.16 2.90 -1.94 -1.26 -1.76 119.30 116.23 3hhq s MET 48 Ca 0.24 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 53.29 3hhq s MET 48 Cb -0.01 -2.18 -0.03 0.00 2.01 0.00 0.00 34.83 34.62 3hhq s MET 48 CO 0.13 0.35 -0.04 0.08 -0.01 0.00 0.00 175.02 175.53 3hhq s VAL 49 N -0.08 3.86 0.39 -6.03 1.01 -0.09 -4.91 120.40 114.55 3hhq s VAL 49 Ca -0.06 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 3hhq s VAL 49 Cb -0.14 -2.70 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 3hhq s VAL 49 CO 0.05 0.48 0.99 -0.94 0.00 0.00 0.00 175.10 175.68 3hhq s SER 50 N 0.48 6.97 0.00 3.32 1.04 -1.26 -0.99 113.70 123.26 3hhq s SER 50 Ca -0.03 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.27 3hhq s SER 50 Cb -0.14 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3hhq s SER 50 CO 0.03 -0.34 0.00 0.35 0.98 0.00 0.00 173.24 174.26 3hhq n THR 51 N -0.07 0.00 -3.53 2.02 -2.24 -1.26 -1.09 114.28 108.11 3hhq n THR 51 Ca 0.05 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.45 3hhq n THR 51 Cb 0.51 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.00 -3.20 -4.34 3.42 8.00 -1.26 -4.37 116.55 113.79 3hhq n ASP 52 Ca 0.00 -0.49 -0.23 0.00 0.71 0.00 0.00 54.79 54.78 3hhq n ASP 52 Cb 0.00 -2.67 -0.12 0.00 -0.02 0.00 0.00 41.12 38.31 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 -2.93 1.89 0.17 0.53 -4.36 -1.26 -0.39 121.20 114.85 3hhq s ILE 53 Ca 0.46 -1.86 0.06 0.00 -0.26 0.00 0.00 60.65 59.05 3hhq s ILE 53 Cb -0.25 -1.84 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 3hhq s ILE 53 CO 0.56 -0.23 -0.13 -0.44 0.24 0.00 0.00 174.94 174.94 3hhq s SER 54 N -2.52 2.18 0.04 4.36 0.01 -0.53 -1.19 113.70 116.05 3hhq s SER 54 Ca 0.15 -0.97 -0.24 0.00 1.31 0.00 0.00 55.95 56.19 3hhq s SER 54 Cb -0.07 -0.08 0.06 0.00 0.21 0.00 0.00 66.02 66.14 3hhq s SER 54 CO 0.07 -0.22 0.56 0.72 0.41 0.00 0.00 173.24 174.78 3hhq s PHE 55 N -2.90 -0.49 -0.28 2.43 -0.71 -1.26 -0.22 117.98 114.56 3hhq s PHE 55 Ca 0.17 0.61 -0.03 0.00 -1.04 0.00 0.00 56.93 56.64 3hhq s PHE 55 Cb -0.01 0.38 0.03 0.00 -1.21 0.00 0.00 43.02 42.21 3hhq s PHE 55 CO 0.04 -0.65 -0.00 0.99 -1.34 0.00 0.00 175.22 174.25 3hhq s THR 56 N -2.27 3.24 0.78 -4.49 2.01 -0.10 -4.78 115.64 110.03 3hhq s THR 56 Ca -0.06 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 60.82 3hhq s THR 56 Cb -0.01 -2.70 0.06 0.00 0.01 0.00 0.00 72.50 69.86 3hhq s THR 56 CO -0.00 0.09 1.09 0.68 -0.69 0.00 0.00 174.62 175.78 3hhq s VAL 57 N 1.36 3.34 0.86 3.82 -7.23 -1.26 -2.12 120.40 119.17 3hhq s VAL 57 Ca -0.00 0.43 -0.12 0.00 -1.81 0.00 0.00 61.98 60.48 3hhq s VAL 57 Cb -0.17 -2.99 0.11 0.00 0.56 0.00 0.00 36.38 33.89 3hhq s VAL 57 CO -0.02 -0.57 1.18 -2.84 -0.31 0.00 0.00 175.10 172.55 3hhq s PRO 58 N -4.96 1.32 0.52 4.82 0.02 -1.24 -4.92 135.00 130.56 3hhq s PRO 58 Ca 0.61 1.66 -0.22 0.00 0.02 0.00 0.00 61.00 63.07 3hhq s PRO 58 Cb -0.16 -1.75 -0.06 0.00 0.02 0.00 0.00 34.50 32.54 3hhq s PRO 58 CO 0.56 -2.43 1.26 0.28 -0.33 0.00 0.00 177.00 176.34 3hhq n VAL 59 N -3.76 3.40 -0.98 3.83 0.31 -1.26 -2.51 118.33 117.36 3hhq n VAL 59 Ca 0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3hhq n VAL 59 Cb 0.51 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 0.87 0.48 3.43 2.92 0.00 -1.26 -5.01 105.19 106.61 3hhq n GLY 60 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.09 1.57 0.42 2.61 -4.23 -1.04 -1.48 115.64 111.39 3hhq s THR 61 Ca 0.00 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 3hhq s THR 61 Cb 0.00 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.30 3hhq s THR 61 CO 0.00 -0.26 0.04 -0.72 -0.54 0.00 0.00 174.62 173.14 3hhq s TYR 62 N -3.06 2.08 -0.39 3.99 1.13 -0.67 -4.63 117.35 115.80 3hhq s TYR 62 Ca 0.30 -0.92 -0.14 0.00 -1.41 0.00 0.00 57.07 54.90 3hhq s TYR 62 Cb 0.05 -1.51 0.01 0.00 -1.10 0.00 0.00 41.96 39.40 3hhq s TYR 62 CO 0.12 0.16 0.28 0.20 -2.51 0.00 0.00 175.55 173.80 3hhq s GLY 63 N -3.69 1.99 -0.07 5.49 0.00 -0.05 -2.06 107.32 108.94 3hhq s GLY 63 Ca 0.25 -1.64 -0.20 0.00 0.00 0.00 0.00 44.72 43.13 3hhq s GLY 63 CO 0.12 0.88 0.56 -1.60 0.00 0.00 0.00 173.10 173.06 3hhq s ARG 64 N 1.68 4.34 -0.34 2.90 3.52 0.05 -1.36 118.95 129.74 3hhq s ARG 64 Ca 0.05 0.62 -0.21 0.00 -0.13 0.00 0.00 55.73 56.07 3hhq s ARG 64 Cb -0.19 -3.40 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3hhq s ARG 64 CO 0.10 0.22 0.65 0.42 -0.81 0.00 0.00 175.30 175.88 3hhq s ILE 65 N 0.35 4.89 0.20 4.11 -1.09 -0.38 -1.31 121.20 127.97 3hhq s ILE 65 Ca 0.30 0.70 0.08 0.00 -2.23 0.00 0.00 60.65 59.50 3hhq s ILE 65 Cb -0.17 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.60 3hhq s ILE 65 CO 0.14 -0.27 -0.15 0.00 -1.23 0.00 0.00 174.94 173.43 3hhq s ALA 66 N 2.72 2.03 0.32 9.38 0.00 0.19 -4.68 121.76 131.71 3hhq s ALA 66 Ca 0.25 -1.63 -0.27 0.00 0.00 0.00 0.00 51.96 50.31 3hhq s ALA 66 Cb -0.14 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.77 3hhq s ALA 66 CO 0.14 0.10 0.98 -1.25 0.00 0.00 0.00 175.76 175.74 3hhq s PRO 67 N -3.47 4.55 0.27 0.00 0.04 -1.26 -1.41 135.00 133.72 3hhq s PRO 67 Ca 0.21 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3hhq s PRO 67 Cb -0.02 -2.88 -0.11 0.00 0.04 0.00 0.00 34.50 31.54 3hhq s PRO 67 CO 0.07 0.23 1.52 1.03 0.04 0.00 0.00 177.00 179.89 3hhq s ARG 68 N -1.92 4.19 0.17 4.56 0.52 -1.26 -4.69 118.95 120.52 3hhq s ARG 68 Ca 0.49 2.44 -0.08 0.00 -0.52 0.00 0.00 55.73 58.07 3hhq s ARG 68 Cb -0.22 -3.07 0.05 0.00 0.52 0.00 0.00 34.95 32.23 3hhq s ARG 68 CO 0.28 -0.53 1.54 0.77 0.02 0.00 0.00 175.30 177.38 3hhq h SER 69 N 5.00 0.90 -0.62 0.23 0.02 -1.96 -3.07 113.55 114.05 3hhq h SER 69 Ca -0.46 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.09 3hhq h SER 69 Cb 1.22 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3hhq h SER 69 CO 0.79 1.14 0.34 1.23 -1.14 0.00 0.00 176.83 179.20 3hhq h GLY 70 N 0.88 0.91 1.83 -3.77 0.00 -1.99 -1.32 103.07 99.63 3hhq h GLY 70 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 3hhq h GLY 70 CO 0.08 0.39 -0.40 1.41 0.00 0.00 0.00 176.54 178.02 3hhq h LEU 71 N 0.84 0.19 0.26 3.11 3.38 -1.91 0.17 115.31 121.35 3hhq h LEU 71 Ca 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3hhq h LEU 71 Cb 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hhq h LEU 71 CO -0.04 0.58 -0.12 0.00 0.09 0.00 0.00 178.44 178.95 3hhq h ALA 72 N 1.43 -0.34 0.08 1.53 0.00 -1.41 0.13 119.26 120.67 3hhq h ALA 72 Ca 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hhq h ALA 72 Cb 0.78 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hhq h ALA 72 CO 0.06 -0.58 -0.04 0.28 0.00 0.00 0.00 179.25 178.97 3hhq h VAL 73 N -0.57 1.06 0.00 0.00 2.07 -1.14 -2.09 116.25 115.58 3hhq h VAL 73 Ca -0.04 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3hhq h VAL 73 Cb 0.42 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3hhq h VAL 73 CO 0.06 0.12 -0.92 0.11 0.02 0.00 0.00 177.57 176.96 3hhq h LYS 74 N -0.32 0.00 0.00 1.57 1.57 -0.77 -3.41 116.57 115.22 3hhq h LYS 74 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hhq h LYS 74 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3hhq h LYS 74 CO 0.02 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.99 3hhq n ASN 75 N -2.67 0.43 -1.09 0.86 3.02 0.38 -5.02 115.26 111.16 3hhq n ASN 75 Ca 0.00 -0.75 -0.11 0.00 -0.03 0.00 0.00 54.58 53.70 3hhq n ASN 75 Cb 0.54 0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 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 0.26 0.34 3.73 7.41 0.00 -0.79 -4.35 105.19 111.80 3hhq n GLY 76 Ca 0.00 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.49 5.12 0.01 -0.61 -1.09 -1.00 0.11 121.20 121.26 3hhq s ILE 77 Ca 0.00 1.06 0.05 0.00 -2.23 0.00 0.00 60.65 59.53 3hhq s ILE 77 Cb 0.00 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 3hhq s ILE 77 CO 0.00 0.34 -0.15 -1.58 -1.23 0.00 0.00 174.94 172.32 3hhq s GLN 78 N 0.43 1.13 0.27 2.79 2.00 -0.37 -3.59 119.66 122.31 3hhq s GLN 78 Ca 0.28 -0.67 -0.24 0.00 -2.00 0.00 0.00 55.36 52.73 3hhq s GLN 78 Cb -0.16 -1.13 -0.09 0.00 0.80 0.00 0.00 33.01 32.43 3hhq s GLN 78 CO 0.13 0.30 0.86 0.95 -0.50 0.00 0.00 175.29 177.02 3hhq s THR 79 N -0.59 4.33 0.50 -0.34 -4.23 -1.26 -0.25 115.64 113.80 3hhq s THR 79 Ca 0.04 1.66 0.08 0.00 -1.18 0.00 0.00 61.69 62.30 3hhq s THR 79 Cb -0.07 -4.00 0.03 0.00 1.34 0.00 0.00 72.50 69.80 3hhq s THR 79 CO 0.00 0.24 0.54 -0.83 -0.54 0.00 0.00 174.62 174.03 3hhq s GLY 80 N -1.54 2.06 0.00 3.99 0.00 0.15 -4.81 107.32 107.16 3hhq s GLY 80 Ca 0.45 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.41 3hhq s GLY 80 CO 0.24 -1.74 0.00 0.00 0.00 0.00 0.00 173.10 171.60 3hhq n ALA 81 N -1.87 0.00 0.00 3.20 0.00 -1.26 -4.30 120.51 116.29 3hhq n ALA 81 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3hhq n ALA 81 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3hhq n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhq n GLY 82 N 0.00 0.60 3.42 0.00 0.00 -1.26 -4.93 105.19 103.01 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 -2.00 5.11 -0.34 1.61 1.01 -1.26 -1.25 120.40 123.28 3hhq s VAL 83 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3hhq s VAL 83 Cb 0.00 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3hhq s VAL 83 CO 0.00 -0.63 0.18 -0.69 0.00 0.00 0.00 175.10 173.95 3hhq s VAL 84 N 1.99 4.59 0.83 2.92 1.01 -0.46 -5.00 120.40 126.28 3hhq s VAL 84 Ca 0.08 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3hhq s VAL 84 Cb -0.22 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 32.81 3hhq s VAL 84 CO 0.09 -0.07 1.09 -1.81 0.00 0.00 0.00 175.10 174.40 3hhq s ASP 85 N 1.59 4.04 0.35 3.32 1.11 -1.26 -0.87 116.67 124.95 3hhq s ASP 85 Ca 0.03 1.69 0.15 0.00 0.18 0.00 0.00 52.55 54.60 3hhq s ASP 85 Cb -0.18 -2.37 0.65 0.00 1.07 0.00 0.00 42.92 42.09 3hhq s ASP 85 CO 0.06 -2.31 1.75 -0.09 1.18 0.00 0.00 175.17 175.76 3hhq h ARG 86 N -1.32 0.00 -0.04 8.23 2.43 -1.92 -2.91 114.38 118.86 3hhq h ARG 86 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3hhq h ARG 86 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3hhq h ARG 86 CO 0.53 0.43 0.00 -0.40 -1.51 0.00 0.00 179.97 179.01 3hhq n ASP 87 N -3.77 1.58 -4.70 -3.80 3.85 -1.26 -4.52 116.55 103.93 3hhq n ASP 87 Ca -0.01 -1.54 -0.42 0.00 -0.71 0.00 0.00 54.79 52.10 3hhq n ASP 87 Cb 0.49 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 40.22 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 -1.97 3.35 0.00 2.11 5.04 -1.10 -4.91 117.35 119.87 3hhq s TYR 88 Ca 0.37 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.34 3hhq s TYR 88 Cb 0.21 -3.36 0.00 0.00 0.35 0.00 0.00 41.96 39.16 3hhq s TYR 88 CO 0.33 -1.01 0.29 0.25 -1.34 0.00 0.00 175.55 174.07 3hhq n THR 89 N 4.34 0.00 -1.46 4.34 -2.24 -1.26 -4.61 114.28 113.39 3hhq n THR 89 Ca 0.10 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 3hhq n THR 89 Cb 0.47 1.27 0.22 0.00 -2.10 0.00 0.00 70.33 70.19 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 -0.10 1.68 0.11 3.38 0.00 -1.26 -4.89 107.32 106.24 3hhq s GLY 90 Ca 0.00 -1.11 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 3hhq s GLY 90 CO 0.00 -0.25 1.56 1.85 0.00 0.00 0.00 173.10 176.26 3hhq s GLU 91 N -5.65 4.23 -0.69 2.90 2.12 -1.26 -4.50 118.70 115.84 3hhq s GLU 91 Ca 0.73 2.28 -0.26 0.00 0.36 0.00 0.00 54.97 58.08 3hhq s GLU 91 Cb -0.06 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 31.00 3hhq s GLU 91 CO 0.55 -0.63 1.17 0.08 -0.54 0.00 0.00 175.26 175.89 3hhq s VAL 92 N 1.81 3.95 0.28 3.70 1.01 -0.34 -5.01 120.40 125.79 3hhq s VAL 92 Ca 0.70 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.98 3hhq s VAL 92 Cb -0.40 -4.81 -0.03 0.00 0.00 0.00 0.00 36.38 31.13 3hhq s VAL 92 CO 0.31 -1.65 0.45 -0.54 0.00 0.00 0.00 175.10 173.67 3hhq s LYS 93 N 5.12 3.48 -0.18 2.72 1.02 -1.26 -4.26 119.74 126.38 3hhq s LYS 93 Ca 0.33 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.83 3hhq s LYS 93 Cb -0.10 -2.78 -0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3hhq s LYS 93 CO 0.15 0.30 -0.11 0.08 -0.92 0.00 0.00 175.35 174.86 3hhq s VAL 94 N -2.10 2.97 -0.17 3.17 1.01 -0.16 -4.90 120.40 120.22 3hhq s VAL 94 Ca 0.38 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 3hhq s VAL 94 Cb -0.10 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3hhq s VAL 94 CO 0.32 0.48 0.74 -0.69 0.00 0.00 0.00 175.10 175.95 3hhq s VAL 95 N 1.07 4.95 -0.14 2.92 1.01 -1.26 -0.91 120.40 128.05 3hhq s VAL 95 Ca 0.00 1.44 0.02 0.00 0.00 0.00 0.00 61.98 63.44 3hhq s VAL 95 Cb -0.15 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3hhq s VAL 95 CO -0.02 0.09 -0.20 -0.76 0.00 0.00 0.00 175.10 174.20 3hhq s LEU 96 N 1.88 2.21 -0.08 3.92 1.43 -0.72 0.30 118.68 127.63 3hhq s LEU 96 Ca 0.35 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 3hhq s LEU 96 Cb -0.16 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3hhq s LEU 96 CO 0.12 0.09 0.38 -0.36 0.23 0.00 0.00 176.35 176.82 3hhq s PHE 97 N 0.75 3.60 -0.35 0.29 0.40 0.66 -1.87 117.98 121.46 3hhq s PHE 97 Ca -0.08 0.84 -0.09 0.00 -0.60 0.00 0.00 56.93 57.00 3hhq s PHE 97 Cb -0.16 -2.35 0.03 0.00 0.51 0.00 0.00 43.02 41.05 3hhq s PHE 97 CO -0.00 0.42 0.16 1.21 0.70 0.00 0.00 175.22 177.71 3hhq s ASN 98 N -0.24 5.52 -0.05 1.36 3.84 0.12 -1.24 114.94 124.26 3hhq s ASN 98 Ca 0.22 -1.03 0.18 0.00 0.21 0.00 0.00 52.86 52.43 3hhq s ASN 98 Cb -0.15 -1.95 0.59 0.00 -0.55 0.00 0.00 41.25 39.19 3hhq s ASN 98 CO 0.10 -0.35 1.49 1.41 -2.79 0.00 0.00 177.10 176.96 3hhq n HIS 99 N 4.91 1.06 -3.07 0.43 8.25 0.12 -1.76 115.22 125.16 3hhq n HIS 99 Ca -0.12 -0.47 -0.19 0.00 -0.26 0.00 0.00 57.72 56.68 3hhq n HIS 99 Cb 0.46 -0.11 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 -1.54 0.64 0.00 0.00 176.34 175.44 3hhq s SER 100 N -0.92 5.33 0.00 0.41 1.04 -1.26 -4.77 113.70 113.53 3hhq s SER 100 Ca 0.43 -0.67 0.24 0.00 0.48 0.00 0.00 55.95 56.44 3hhq s SER 100 Cb 0.25 -0.15 0.87 0.00 0.10 0.00 0.00 66.02 67.09 3hhq s SER 100 CO 0.25 -1.06 1.63 0.00 0.98 0.00 0.00 173.24 175.04 3hhq n GLN 101 N -2.03 1.74 -4.74 4.02 1.13 -1.26 -0.18 117.38 116.05 3hhq n GLN 101 Ca 0.11 -1.09 -0.33 0.00 -1.94 0.00 0.00 57.00 53.75 3hhq n GLN 101 Cb 0.61 -1.44 -0.14 0.00 0.11 0.00 0.00 30.24 29.37 3hhq n GLN 101 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hhq s ARG 102 N -1.88 3.41 0.27 -1.09 0.52 -1.26 -4.83 118.95 114.08 3hhq s ARG 102 Ca 0.35 -0.67 -0.28 0.00 -0.52 0.00 0.00 55.73 54.61 3hhq s ARG 102 Cb 0.19 -2.66 -0.15 0.00 0.52 0.00 0.00 34.95 32.86 3hhq s ARG 102 CO 0.30 0.22 0.89 -0.25 0.02 0.00 0.00 175.30 176.48 3hhq n ASP 103 N 3.51 0.67 -4.19 0.23 10.43 -1.26 -4.07 116.55 121.87 3hhq n ASP 103 Ca -0.18 1.17 -0.36 0.00 2.57 0.00 0.00 54.79 57.99 3hhq n ASP 103 Cb 0.53 -1.20 -0.13 0.00 1.84 0.00 0.00 41.12 42.15 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 -1.04 3.33 -0.14 1.24 2.19 0.03 -4.88 117.98 118.72 3hhq s PHE 104 Ca 0.60 -1.87 -0.29 0.00 0.33 0.00 0.00 56.93 55.69 3hhq s PHE 104 Cb -0.76 -2.41 -0.01 0.00 -1.31 0.00 0.00 43.02 38.53 3hhq s PHE 104 CO 0.59 -0.82 1.05 0.00 1.83 0.00 0.00 175.22 177.87 3hhq s ALA 105 N 1.27 3.50 -0.12 11.12 0.00 -1.26 -0.93 121.76 135.33 3hhq s ALA 105 Ca -0.01 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 3hhq s ALA 105 Cb -0.20 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 3hhq s ALA 105 CO -0.01 -0.77 -0.10 0.42 0.00 0.00 0.00 175.76 175.30 3hhq s ILE 106 N 2.43 3.35 0.07 0.00 1.01 0.97 -4.99 121.20 124.04 3hhq s ILE 106 Ca 0.48 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.61 3hhq s ILE 106 Cb -0.18 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 3hhq s ILE 106 CO 0.15 0.53 0.01 -0.54 0.00 0.00 0.00 174.94 175.08 3hhq s LYS 107 N 0.15 2.62 -0.04 2.79 -0.14 -1.26 -0.85 119.74 123.01 3hhq s LYS 107 Ca -0.05 -0.78 -0.38 0.00 -1.36 0.00 0.00 55.97 53.40 3hhq s LYS 107 Cb -0.15 -2.58 -0.16 0.00 -1.68 0.00 0.00 37.83 33.26 3hhq s LYS 107 CO 0.04 0.56 1.49 1.17 -0.76 0.00 0.00 175.35 177.85 3hhq n LYS 108 N 0.74 1.15 0.00 1.68 4.81 -1.26 -1.40 118.16 123.88 3hhq n LYS 108 Ca -0.11 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 3hhq n LYS 108 Cb 0.52 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.49 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 3.12 1.21 3.74 3.14 0.00 -0.11 -4.97 105.19 111.33 3hhq n GLY 109 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3hhq n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhq s ASP 110 N -1.77 7.45 -0.18 1.61 1.01 -0.49 -4.78 116.67 119.52 3hhq s ASP 110 Ca 0.00 2.01 -0.29 0.00 0.71 0.00 0.00 52.55 54.98 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 -0.04 1.54 -0.13 0.21 0.00 0.00 175.17 176.75 3hhq s ARG 111 N -0.76 3.97 0.00 8.23 0.52 -1.26 -0.79 118.95 128.85 3hhq s ARG 111 Ca 0.45 1.76 0.10 0.00 -0.52 0.00 0.00 55.73 57.52 3hhq s ARG 111 Cb -0.27 -3.97 -0.10 0.00 0.52 0.00 0.00 34.95 31.13 3hhq s ARG 111 CO 0.34 -1.08 0.44 1.33 0.02 0.00 0.00 175.30 176.35 3hhq n VAL 112 N 6.00 0.00 -3.92 3.52 0.24 0.45 -4.96 118.33 119.66 3hhq n VAL 112 Ca 0.17 -0.27 -0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3hhq n VAL 112 Cb 0.45 1.01 0.02 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.17 -2.83 -2.87 2.33 0.00 -1.22 -4.65 120.51 110.10 3hhq n ALA 113 Ca 0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.50 3hhq n ALA 113 Cb 0.16 0.34 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 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 0.48 -0.23 0.00 -2.07 -0.50 -1.39 119.66 113.92 3hhq s GLN 114 Ca 0.24 -0.68 -0.09 0.00 -1.82 0.00 0.00 55.36 53.02 3hhq s GLN 114 Cb -0.02 -0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 31.62 3hhq s GLN 114 CO 0.02 0.04 0.11 -1.17 -1.32 0.00 0.00 175.29 172.97 3hhq s LEU 115 N -1.42 3.78 -0.09 2.60 2.96 0.10 -0.64 118.68 125.98 3hhq s LEU 115 Ca -0.10 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3hhq s LEU 115 Cb -0.09 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 3hhq s LEU 115 CO 0.00 0.05 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.27 3hhq s ILE 116 N 1.15 2.65 -1.12 6.68 1.01 -0.43 -1.17 121.20 129.98 3hhq s ILE 116 Ca 0.06 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 3hhq s ILE 116 Cb -0.14 -2.04 0.19 0.00 0.01 0.00 0.00 42.46 40.47 3hhq s ILE 116 CO 0.04 0.56 1.28 -0.76 0.00 0.00 0.00 174.94 176.06 3hhq s LEU 117 N -0.07 5.39 0.04 2.97 1.43 -1.26 -0.77 118.68 126.42 3hhq s LEU 117 Ca -0.04 -2.93 -0.31 0.00 -1.03 0.00 0.00 54.13 49.82 3hhq s LEU 117 Cb -0.14 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 3hhq s LEU 117 CO 0.04 -0.70 1.39 -1.61 0.23 0.00 0.00 176.35 175.69 3hhq s GLU 118 N 1.15 4.31 0.17 1.70 0.41 -0.87 -4.90 118.70 120.66 3hhq s GLU 118 Ca 0.37 1.99 -0.27 0.00 -0.41 0.00 0.00 54.97 56.65 3hhq s GLU 118 Cb -0.05 -3.46 -0.08 0.00 -1.78 0.00 0.00 34.13 28.77 3hhq s GLU 118 CO -0.04 -0.51 0.84 0.15 -0.49 0.00 0.00 175.26 175.21 3hhq s LYS 119 N 1.90 4.66 0.06 1.61 1.02 -1.26 -1.67 119.74 126.06 3hhq s LYS 119 Ca 0.64 1.27 -0.05 0.00 0.02 0.00 0.00 55.97 57.85 3hhq s LYS 119 Cb -0.33 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 3hhq s LYS 119 CO 0.28 0.49 0.08 0.96 -0.92 0.00 0.00 175.35 176.24 3hhq s ILE 120 N -0.93 0.18 -0.43 2.17 -4.36 -0.55 -4.95 121.20 112.32 3hhq s ILE 120 Ca 0.39 -1.46 -0.22 0.00 -0.26 0.00 0.00 60.65 59.10 3hhq s ILE 120 Cb -0.24 -1.36 0.02 0.00 1.25 0.00 0.00 42.46 42.13 3hhq s ILE 120 CO 0.28 -0.80 0.74 -0.69 0.24 0.00 0.00 174.94 174.71 3hhq s VAL 121 N -3.73 4.71 -2.38 8.37 1.01 -1.26 -4.69 120.40 122.43 3hhq s VAL 121 Ca 0.05 0.41 0.20 0.00 0.00 0.00 0.00 61.98 62.63 3hhq s VAL 121 Cb 0.06 -4.27 0.20 0.00 0.00 0.00 0.00 36.38 32.37 3hhq s VAL 121 CO -0.10 -0.64 1.17 -0.90 0.00 0.00 0.00 175.10 174.63 3hhq n ASP 122 N 6.54 2.77 -1.18 3.32 3.85 -1.26 -4.53 116.55 126.07 3hhq n ASP 122 Ca 0.01 -1.85 -0.02 0.00 -0.71 0.00 0.00 54.79 52.22 3hhq n ASP 122 Cb 0.48 -0.05 0.13 0.00 -1.35 0.00 0.00 41.12 40.33 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 1.14 2.41 -4.70 -1.12 3.85 -1.26 -5.07 116.55 111.80 3hhq n ASP 123 Ca 0.13 -3.54 -0.33 0.00 -0.71 0.00 0.00 54.79 50.34 3hhq n ASP 123 Cb 0.50 -0.45 0.12 0.00 -1.35 0.00 0.00 41.12 39.95 3hhq n ASP 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hhq s ALA 124 N -2.96 1.86 -0.17 2.12 0.00 -1.26 -5.01 121.76 116.35 3hhq s ALA 124 Ca 0.40 0.84 -0.05 0.00 0.00 0.00 0.00 51.96 53.16 3hhq s ALA 124 Cb 0.38 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3hhq s ALA 124 CO -0.05 -2.26 -0.00 -0.65 0.00 0.00 0.00 175.76 172.79 3hhq s GLN 125 N -4.13 3.77 -0.14 0.00 -0.21 -1.26 -5.07 119.66 112.62 3hhq s GLN 125 Ca 0.73 -0.46 -0.24 0.00 0.02 0.00 0.00 55.36 55.41 3hhq s GLN 125 Cb -0.29 -3.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.69 3hhq s GLN 125 CO 0.50 0.25 0.76 0.42 -2.12 0.00 0.00 175.29 175.09 3hhq s ILE 126 N 0.38 4.96 -0.20 1.08 1.01 -1.26 -5.02 121.20 122.15 3hhq s ILE 126 Ca -0.02 1.50 0.01 0.00 0.00 0.00 0.00 60.65 62.14 3hhq s ILE 126 Cb -0.14 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.28 3hhq s ILE 126 CO 0.02 0.11 -0.17 -0.69 0.00 0.00 0.00 174.94 174.21 3hhq s VAL 127 N 1.68 2.17 -0.19 2.92 1.01 -1.26 -5.10 120.40 121.63 3hhq s VAL 127 Ca 0.36 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 3hhq s VAL 127 Cb -0.17 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3hhq s VAL 127 CO 0.14 0.43 0.88 -0.69 0.00 0.00 0.00 175.10 175.86 3hhq s VAL 128 N 1.27 4.83 0.30 2.92 1.01 -1.26 -5.05 120.40 124.43 3hhq s VAL 128 Ca 0.03 1.72 0.11 0.00 0.00 0.00 0.00 61.98 63.84 3hhq s VAL 128 Cb -0.14 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3hhq s VAL 128 CO -0.11 -0.03 -0.15 0.68 0.00 0.00 0.00 175.10 175.49 3hhq s VAL 129 N 2.43 2.33 0.14 2.92 -7.23 -1.26 -5.04 120.40 114.68 3hhq s VAL 129 Ca 0.40 -2.31 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 3hhq s VAL 129 Cb -0.16 -2.43 -0.17 0.00 0.56 0.00 0.00 36.38 34.17 3hhq s VAL 129 CO 0.11 -0.33 1.33 0.44 -0.31 0.00 0.00 175.10 176.34 3hhq h ASP 130 N 2.18 0.48 -4.89 4.85 3.32 -2.09 -3.46 116.42 116.81 3hhq h ASP 130 Ca -0.41 -0.38 -0.15 0.00 0.02 0.00 0.00 57.03 56.12 3hhq h ASP 130 Cb 1.25 -0.15 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 3hhq h ASP 130 CO 0.64 1.17 -0.50 -0.44 -1.72 0.00 0.00 179.24 178.39 3hhq s SER 131 N -7.04 0.02 0.43 6.45 0.01 -1.26 -5.18 113.70 107.13 3hhq s SER 131 Ca -0.05 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.11 3hhq s SER 131 Cb 0.09 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.54 3hhq s SER 131 CO 0.86 -0.34 0.57 -0.76 0.41 0.00 0.00 173.24 173.98 3hhq s LEU 132 N -1.28 3.58 0.00 2.44 1.43 -1.26 -5.20 118.68 118.39 3hhq s LEU 132 Ca -0.14 -0.49 0.15 0.00 -1.03 0.00 0.00 54.13 52.62 3hhq s LEU 132 Cb -0.07 -2.50 0.12 0.00 0.03 0.00 0.00 46.19 43.76 3hhq s LEU 132 CO 0.01 -0.81 0.97 1.21 0.23 0.00 0.00 176.35 177.97