#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhq n LYS 7 N 0.00 1.33 -3.69 -0.67 5.02 -1.26 -4.38 118.16 114.51 3hhq n LYS 7 Ca 0.00 -1.22 -0.36 0.00 -2.02 0.00 0.00 58.31 54.71 3hhq n LYS 7 Cb 0.00 -2.39 -0.07 0.00 -0.02 0.00 0.00 35.03 32.55 3hhq n LYS 7 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hhq s VAL 8 N 4.24 5.38 -0.38 -0.18 1.01 -1.26 -4.92 120.40 124.28 3hhq s VAL 8 Ca 0.33 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 3hhq s VAL 8 Cb 0.08 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3hhq s VAL 8 CO 0.02 0.47 0.27 -0.22 0.00 0.00 0.00 175.10 175.64 3hhq s LEU 9 N 0.04 4.86 -0.09 3.92 2.96 -1.26 -2.93 118.68 126.18 3hhq s LEU 9 Ca 0.13 -0.70 -0.17 0.00 -0.22 0.00 0.00 54.13 53.16 3hhq s LEU 9 Cb -0.12 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3hhq s LEU 9 CO 0.02 -0.36 0.45 -0.54 -1.32 0.00 0.00 176.35 174.60 3hhq s LYS 10 N 1.70 4.24 -0.09 1.98 1.02 -0.80 -4.96 119.74 122.83 3hhq s LYS 10 Ca 0.05 0.42 0.04 0.00 0.02 0.00 0.00 55.97 56.50 3hhq s LYS 10 Cb -0.18 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 3hhq s LYS 10 CO 0.10 0.29 -0.21 0.42 -0.92 0.00 0.00 175.35 175.03 3hhq s ILE 11 N 0.19 2.33 -0.30 2.17 -1.09 -1.26 -1.75 121.20 121.49 3hhq s ILE 11 Ca 0.25 -0.94 -0.05 0.00 -2.23 0.00 0.00 60.65 57.67 3hhq s ILE 11 Cb -0.15 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.85 3hhq s ILE 11 CO 0.11 0.56 0.05 -1.58 -1.23 0.00 0.00 174.94 172.84 3hhq s GLN 12 N 0.09 2.88 -0.02 2.79 0.74 0.51 -4.99 119.66 121.65 3hhq s GLN 12 Ca -0.10 -0.99 -0.30 0.00 0.05 0.00 0.00 55.36 54.02 3hhq s GLN 12 Cb -0.16 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 3hhq s GLN 12 CO 0.06 -0.50 1.20 -0.51 -0.55 0.00 0.00 175.29 174.99 3hhq s LEU 13 N 1.42 4.31 -0.01 3.68 1.43 -1.26 -1.12 118.68 127.13 3hhq s LEU 13 Ca 0.00 1.87 0.18 0.00 -1.03 0.00 0.00 54.13 55.16 3hhq s LEU 13 Cb -0.18 -3.56 -0.24 0.00 0.03 0.00 0.00 46.19 42.24 3hhq s LEU 13 CO 0.01 -0.55 0.62 0.54 0.23 0.00 0.00 176.35 177.20 3hhq n ARG 14 N 4.83 0.84 -4.02 1.70 1.74 -0.31 -4.98 116.66 116.44 3hhq n ARG 14 Ca 0.10 -0.07 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 3hhq n ARG 14 Cb 0.46 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 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 -3.31 0.41 0.09 0.55 1.04 -1.26 -5.01 113.70 106.21 3hhq s SER 15 Ca 0.01 -1.24 0.21 0.00 0.48 0.00 0.00 55.95 55.41 3hhq s SER 15 Cb 0.13 0.65 0.84 0.00 0.10 0.00 0.00 66.02 67.74 3hhq s SER 15 CO 0.76 -1.27 1.64 0.00 0.98 0.00 0.00 173.24 175.34 3hhq n ALA 16 N -0.48 1.84 0.36 5.32 0.00 -1.26 -3.14 120.51 123.15 3hhq n ALA 16 Ca -0.01 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3hhq n ALA 16 Cb 0.62 -1.34 0.26 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 -4.14 0.00 0.02 -1.95 -3.46 113.55 104.02 3hhq h SER 17 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3hhq h SER 17 Cb 0.37 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.95 3hhq h SER 17 CO 0.00 0.00 0.38 0.00 -1.14 0.00 0.00 176.83 176.07 3hhq s ALA 18 N -3.18 2.86 -0.11 3.77 0.00 -1.19 -4.44 121.76 119.48 3hhq s ALA 18 Ca 0.08 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3hhq s ALA 18 Cb 0.08 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.99 3hhq s ALA 18 CO 0.64 -0.47 -0.19 0.99 0.00 0.00 0.00 175.76 176.74 3hhq s THR 19 N -2.28 1.73 0.04 0.00 2.01 -1.26 -5.01 115.64 110.88 3hhq s THR 19 Ca 0.64 -0.80 -0.33 0.00 0.31 0.00 0.00 61.69 61.51 3hhq s THR 19 Cb -0.15 -1.54 -0.12 0.00 0.01 0.00 0.00 72.50 70.70 3hhq s THR 19 CO 0.28 0.49 1.80 0.52 -0.69 0.00 0.00 174.62 177.01 3hhq n VAL 20 N 3.97 0.38 -1.58 3.82 0.31 -1.26 -4.70 118.33 119.27 3hhq n VAL 20 Ca -0.20 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 3hhq n VAL 20 Cb 0.52 -1.88 0.01 0.00 -0.91 0.00 0.00 33.84 31.57 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 5.57 1.21 -4.46 5.55 -0.02 -1.26 -5.01 135.00 136.58 3hhq n PRO 21 Ca 0.20 0.43 -0.22 0.00 -2.02 0.00 0.00 63.50 61.89 3hhq n PRO 21 Cb 0.32 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.28 1.23 0.04 3.45 -4.23 -1.20 -4.88 115.64 108.78 3hhq s THR 22 Ca 0.63 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 3hhq s THR 22 Cb -0.58 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 3hhq s THR 22 CO 0.57 0.09 -0.14 -1.59 -0.54 0.00 0.00 174.62 173.01 3hhq s LYS 23 N -1.04 2.20 0.00 3.99 -2.85 -1.26 -0.42 119.74 120.36 3hhq s LYS 23 Ca 0.03 -0.92 0.25 0.00 -1.00 0.00 0.00 55.97 54.33 3hhq s LYS 23 Cb -0.08 -2.28 0.48 0.00 -2.06 0.00 0.00 37.83 33.89 3hhq s LYS 23 CO 0.01 0.55 1.39 0.41 0.10 0.00 0.00 175.35 177.82 3hhq n GLY 24 N 1.42 -0.49 3.33 0.59 0.00 -1.26 -4.88 105.19 103.91 3hhq n GLY 24 Ca -0.16 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3hhq n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hhq s SER 25 N -2.55 -0.33 0.23 1.61 1.04 -1.26 -5.05 113.70 107.38 3hhq s SER 25 Ca 0.21 0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.78 3hhq s SER 25 Cb 0.19 0.40 0.21 0.00 0.10 0.00 0.00 66.02 66.91 3hhq s SER 25 CO 0.56 -0.55 1.91 0.00 0.98 0.00 0.00 173.24 176.14 3hhq h ALA 26 N 3.42 1.12 -0.01 5.32 0.00 -2.02 -2.57 119.26 124.53 3hhq h ALA 26 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hhq h ALA 26 Cb 1.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hhq h ALA 26 CO 0.41 0.53 -0.06 0.25 0.00 0.00 0.00 179.25 180.38 3hhq n THR 27 N -4.46 0.00 -1.58 0.00 -2.24 -1.26 -4.96 114.28 99.77 3hhq n THR 27 Ca 0.10 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 3hhq n THR 27 Cb 0.01 0.09 0.01 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.51 -0.12 0.06 6.98 0.00 -0.97 -4.89 120.51 121.06 3hhq n ALA 28 Ca 0.18 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.83 3hhq n ALA 28 Cb 0.28 -2.03 0.32 0.00 0.00 0.00 0.00 19.45 18.02 3hhq n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hhq h ALA 29 N 1.34 1.39 -3.63 0.00 0.00 -1.93 -3.48 119.26 112.96 3hhq h ALA 29 Ca -0.44 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.04 3hhq h ALA 29 Cb 1.35 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3hhq h ALA 29 CO 0.55 0.42 -0.06 0.41 0.00 0.00 0.00 179.25 180.57 3hhq n GLY 30 N -0.79 2.06 3.39 0.00 0.00 -1.26 -4.35 105.19 104.24 3hhq n GLY 30 Ca 0.00 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 3hhq n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hhq s TYR 31 N -3.27 2.75 0.29 1.61 1.51 0.13 -4.61 117.35 115.76 3hhq s TYR 31 Ca 0.22 -0.53 -0.30 0.00 -1.01 0.00 0.00 57.07 55.45 3hhq s TYR 31 Cb -0.01 -1.77 -0.12 0.00 -0.11 0.00 0.00 41.96 39.95 3hhq s TYR 31 CO 0.16 -0.11 1.61 -0.25 -1.11 0.00 0.00 175.55 175.85 3hhq n ASP 32 N 3.16 3.86 -4.40 2.29 8.00 0.44 0.66 116.55 130.57 3hhq n ASP 32 Ca -0.18 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 56.13 3hhq n ASP 32 Cb 0.53 -1.59 -0.14 0.00 -0.02 0.00 0.00 41.12 39.89 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 0.10 3.05 -0.05 0.53 1.01 -0.33 -3.21 121.20 122.30 3hhq s ILE 33 Ca 0.65 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.66 3hhq s ILE 33 Cb -0.50 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 3hhq s ILE 33 CO 0.47 0.54 -0.15 -0.31 0.00 0.00 0.00 174.94 175.49 3hhq s TYR 34 N 0.07 2.69 0.29 3.97 2.02 -1.26 -1.08 117.35 124.06 3hhq s TYR 34 Ca -0.05 -0.17 -0.29 0.00 -0.37 0.00 0.00 57.07 56.18 3hhq s TYR 34 Cb -0.15 -1.63 -0.10 0.00 -0.40 0.00 0.00 41.96 39.69 3hhq s TYR 34 CO 0.04 0.18 1.18 0.00 -1.57 0.00 0.00 175.55 175.38 3hhq s ALA 35 N -0.72 3.44 -2.20 3.71 0.00 0.44 -4.56 121.76 121.87 3hhq s ALA 35 Ca 0.11 1.03 0.20 0.00 0.00 0.00 0.00 51.96 53.30 3hhq s ALA 35 Cb -0.11 -3.38 0.30 0.00 0.00 0.00 0.00 23.12 19.93 3hhq s ALA 35 CO 0.00 -0.34 1.25 -1.13 0.00 0.00 0.00 175.76 175.55 3hhq n SER 36 N 1.10 3.03 -3.64 0.00 3.41 -0.71 0.14 113.62 116.94 3hhq n SER 36 Ca -0.01 -1.89 -0.15 0.00 -0.26 0.00 0.00 58.87 56.56 3hhq n SER 36 Cb 0.44 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.43 0.87 0.51 4.33 0.74 -1.26 -4.82 119.66 118.60 3hhq s GLN 37 Ca 0.30 -0.04 -0.22 0.00 0.05 0.00 0.00 55.36 55.45 3hhq s GLN 37 Cb 0.18 0.40 -0.06 0.00 1.10 0.00 0.00 33.01 34.63 3hhq s GLN 37 CO 0.26 -0.27 1.19 -0.51 -0.55 0.00 0.00 175.29 175.42 3hhq s ASP 38 N -1.40 5.83 -0.15 6.67 1.01 -1.26 -3.72 116.67 123.64 3hhq s ASP 38 Ca -0.11 2.36 -0.27 0.00 0.71 0.00 0.00 52.55 55.23 3hhq s ASP 38 Cb -0.02 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.37 3hhq s ASP 38 CO 0.05 -1.16 0.68 -0.51 0.21 0.00 0.00 175.17 174.44 3hhq s ILE 39 N -1.56 0.00 -0.18 0.77 2.07 -0.65 -4.96 121.20 116.69 3hhq s ILE 39 Ca 0.68 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.86 3hhq s ILE 39 Cb -0.30 -0.97 -0.03 0.00 0.13 0.00 0.00 42.46 41.29 3hhq s ILE 39 CO 0.35 -0.01 0.00 -0.89 -1.91 0.00 0.00 174.94 172.48 3hhq s THR 40 N -0.42 4.18 -0.41 4.00 2.01 -1.26 -0.25 115.64 123.49 3hhq s THR 40 Ca -0.06 -0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 3hhq s THR 40 Cb -0.03 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.63 3hhq s THR 40 CO 0.05 0.46 0.54 -0.63 -0.69 0.00 0.00 174.62 174.36 3hhq s ILE 41 N 0.56 4.96 0.61 1.82 -1.09 0.11 -4.89 121.20 123.29 3hhq s ILE 41 Ca -0.00 0.03 -0.19 0.00 -2.23 0.00 0.00 60.65 58.26 3hhq s ILE 41 Cb -0.14 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 3hhq s ILE 41 CO 0.02 -0.44 1.29 -2.16 -1.23 0.00 0.00 174.94 172.42 3hhq s PRO 42 N 2.49 2.77 0.20 2.79 0.04 -1.26 -0.52 135.00 141.50 3hhq s PRO 42 Ca 0.18 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 62.94 3hhq s PRO 42 Cb -0.15 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 32.29 3hhq s PRO 42 CO 0.16 -1.43 1.25 0.00 0.04 0.00 0.00 177.00 177.02 3hhq n ALA 43 N -1.65 -0.09 -1.67 8.56 0.00 -1.26 -1.98 120.51 122.41 3hhq n ALA 43 Ca 0.14 0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.82 3hhq n ALA 43 Cb 0.48 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 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 1.85 -1.44 0.00 0.00 2.81 -0.43 -4.89 117.12 115.02 3hhq n MET 44 Ca 0.14 1.19 0.00 0.00 -1.81 0.00 0.00 57.70 57.22 3hhq n MET 44 Cb 0.27 -5.58 0.00 0.00 -0.71 0.00 0.00 33.22 27.20 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 -0.52 5.37 3.14 3.03 0.00 -0.84 -4.95 105.19 110.41 3hhq n GLY 45 Ca -0.21 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 3hhq n GLY 45 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hhq s GLN 46 N 2.06 0.69 0.30 1.61 -2.07 -1.26 0.02 119.66 121.02 3hhq s GLN 46 Ca 0.00 -1.04 -0.18 0.00 -1.82 0.00 0.00 55.36 52.32 3hhq s GLN 46 Cb 0.00 0.26 0.02 0.00 -1.09 0.00 0.00 33.01 32.21 3hhq s GLN 46 CO 0.00 -0.17 0.70 0.20 -1.32 0.00 0.00 175.29 174.70 3hhq s GLY 47 N -2.75 0.12 -0.11 2.60 0.00 -0.57 -4.51 107.32 102.10 3hhq s GLY 47 Ca 0.04 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.28 3hhq s GLY 47 CO -0.09 -0.22 -0.19 1.06 0.00 0.00 0.00 173.10 173.66 3hhq s MET 48 N -3.56 2.55 -0.23 2.90 -1.94 -1.26 -0.84 119.30 116.91 3hhq s MET 48 Ca 0.14 -0.69 -0.16 0.00 -1.71 0.00 0.00 55.69 53.27 3hhq s MET 48 Cb -0.05 -2.06 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 3hhq s MET 48 CO 0.09 0.02 0.41 0.08 -0.01 0.00 0.00 175.02 175.60 3hhq s VAL 49 N 0.75 5.17 0.41 -6.03 1.01 0.12 -4.86 120.40 116.96 3hhq s VAL 49 Ca -0.11 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.33 3hhq s VAL 49 Cb -0.16 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 3hhq s VAL 49 CO 0.01 0.19 1.14 -0.44 0.00 0.00 0.00 175.10 176.00 3hhq s SER 50 N 1.31 6.52 0.00 3.32 0.01 -1.26 -1.64 113.70 121.96 3hhq s SER 50 Ca 0.18 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.70 3hhq s SER 50 Cb -0.15 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3hhq s SER 50 CO 0.09 -0.67 0.00 0.35 0.41 0.00 0.00 173.24 173.42 3hhq n THR 51 N -0.05 0.00 -3.86 1.44 -2.24 -1.26 -1.75 114.28 106.56 3hhq n THR 51 Ca 0.05 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 3hhq n THR 51 Cb 0.48 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.27 -3.58 -4.18 3.42 8.00 -1.26 -4.32 116.55 113.35 3hhq n ASP 52 Ca 0.00 -0.74 -0.23 0.00 0.71 0.00 0.00 54.79 54.53 3hhq n ASP 52 Cb 0.00 -2.94 -0.14 0.00 -0.02 0.00 0.00 41.12 38.02 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 1.34 0.25 0.53 -4.36 -1.26 -1.17 121.20 113.41 3hhq s ILE 53 Ca 0.61 -1.00 0.12 0.00 -0.26 0.00 0.00 60.65 60.11 3hhq s ILE 53 Cb -0.33 -1.17 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 3hhq s ILE 53 CO 0.75 0.15 -0.21 -0.44 0.24 0.00 0.00 174.94 175.43 3hhq s SER 54 N -0.99 3.57 0.04 4.36 0.01 -0.27 -0.80 113.70 119.61 3hhq s SER 54 Ca 0.05 -0.97 -0.17 0.00 1.31 0.00 0.00 55.95 56.17 3hhq s SER 54 Cb -0.08 -0.30 0.03 0.00 0.21 0.00 0.00 66.02 65.88 3hhq s SER 54 CO 0.01 0.06 0.37 0.72 0.41 0.00 0.00 173.24 174.82 3hhq s PHE 55 N -2.27 -0.22 -0.20 2.43 -0.71 -1.26 -0.37 117.98 115.39 3hhq s PHE 55 Ca 0.27 0.17 0.01 0.00 -1.04 0.00 0.00 56.93 56.34 3hhq s PHE 55 Cb -0.06 0.17 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 3hhq s PHE 55 CO 0.14 -0.53 -0.17 0.99 -1.34 0.00 0.00 175.22 174.31 3hhq s THR 56 N -2.35 2.24 0.62 -4.49 2.01 -0.72 -4.75 115.64 108.20 3hhq s THR 56 Ca -0.06 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 60.83 3hhq s THR 56 Cb -0.01 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3hhq s THR 56 CO -0.02 0.43 1.01 0.68 -0.69 0.00 0.00 174.62 176.03 3hhq s VAL 57 N 1.28 4.41 0.81 3.82 -7.23 -1.26 -1.91 120.40 120.32 3hhq s VAL 57 Ca 0.03 0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 60.73 3hhq s VAL 57 Cb -0.14 -3.76 0.06 0.00 0.56 0.00 0.00 36.38 33.09 3hhq s VAL 57 CO -0.11 -0.97 1.01 -2.65 -0.31 0.00 0.00 175.10 172.08 3hhq n PRO 58 N -2.74 0.15 -1.74 4.82 -0.02 -1.15 -4.92 135.00 129.40 3hhq n PRO 58 Ca 0.05 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3hhq n PRO 58 Cb 0.55 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 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 -3.19 1.44 -0.84 -1.45 0.31 -1.26 -2.89 118.33 110.45 3hhq n VAL 59 Ca 0.12 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3hhq n VAL 59 Cb 0.51 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 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 1.47 0.53 3.23 2.92 0.00 -1.26 -4.96 105.19 107.12 3hhq n GLY 60 Ca 0.06 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 3hhq n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hhq s THR 61 N -2.00 0.57 0.38 2.61 -4.23 -1.14 -1.62 115.64 110.20 3hhq s THR 61 Ca 0.00 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.60 3hhq s THR 61 Cb 0.00 -2.11 -0.07 0.00 1.34 0.00 0.00 72.50 71.66 3hhq s THR 61 CO 0.00 -0.47 0.03 -0.72 -0.54 0.00 0.00 174.62 172.93 3hhq s TYR 62 N -3.73 2.27 -0.40 3.99 1.13 -0.66 -4.62 117.35 115.33 3hhq s TYR 62 Ca 0.24 -0.80 -0.20 0.00 -1.41 0.00 0.00 57.07 54.90 3hhq s TYR 62 Cb 0.06 -1.56 0.01 0.00 -1.10 0.00 0.00 41.96 39.38 3hhq s TYR 62 CO 0.04 0.25 0.61 0.20 -2.51 0.00 0.00 175.55 174.14 3hhq s GLY 63 N -3.62 1.75 -0.18 5.49 0.00 -0.22 -2.21 107.32 108.33 3hhq s GLY 63 Ca 0.35 -1.08 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 3hhq s GLY 63 CO 0.17 1.47 0.51 -1.60 0.00 0.00 0.00 173.10 173.64 3hhq s ARG 64 N 2.70 4.23 -0.59 2.90 3.52 0.10 -0.54 118.95 131.28 3hhq s ARG 64 Ca 0.22 0.42 -0.26 0.00 -0.13 0.00 0.00 55.73 55.99 3hhq s ARG 64 Cb -0.14 -3.53 0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3hhq s ARG 64 CO 0.17 -0.07 1.05 0.42 -0.81 0.00 0.00 175.30 176.06 3hhq s ILE 65 N 1.39 4.21 0.20 4.11 -1.09 -0.13 -1.31 121.20 128.58 3hhq s ILE 65 Ca 0.24 0.44 0.08 0.00 -2.23 0.00 0.00 60.65 59.18 3hhq s ILE 65 Cb -0.15 -4.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.04 3hhq s ILE 65 CO 0.10 -1.28 0.02 0.00 -1.23 0.00 0.00 174.94 172.55 3hhq s ALA 66 N 4.44 3.23 0.57 9.38 0.00 -0.09 -4.69 121.76 134.60 3hhq s ALA 66 Ca 0.34 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.69 3hhq s ALA 66 Cb -0.11 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3hhq s ALA 66 CO 0.20 0.41 1.07 -1.25 0.00 0.00 0.00 175.76 176.19 3hhq s PRO 67 N -3.20 3.36 0.05 0.00 0.04 -1.26 -1.68 135.00 132.30 3hhq s PRO 67 Ca 0.29 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 3hhq s PRO 67 Cb -0.08 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3hhq s PRO 67 CO 0.20 -0.79 1.01 1.03 0.04 0.00 0.00 177.00 178.48 3hhq s ARG 68 N -3.75 4.58 0.15 4.56 0.52 -1.26 -4.64 118.95 119.12 3hhq s ARG 68 Ca 0.66 1.48 -0.24 0.00 -0.52 0.00 0.00 55.73 57.12 3hhq s ARG 68 Cb -0.18 -3.42 0.03 0.00 0.52 0.00 0.00 34.95 31.90 3hhq s ARG 68 CO 0.32 0.00 1.61 0.77 0.02 0.00 0.00 175.30 178.02 3hhq h SER 69 N 6.38 -1.02 -0.31 0.23 0.02 -1.98 -2.98 113.55 113.89 3hhq h SER 69 Ca -0.42 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 3hhq h SER 69 Cb 1.22 0.47 -0.02 0.00 0.14 0.00 0.00 62.40 64.20 3hhq h SER 69 CO 0.75 -0.33 0.07 1.23 -1.14 0.00 0.00 176.83 177.41 3hhq h GLY 70 N -0.30 0.64 1.69 -3.77 0.00 -1.99 -2.00 103.07 97.34 3hhq h GLY 70 Ca 0.14 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 3hhq h GLY 70 CO -0.46 0.33 -0.46 1.41 0.00 0.00 0.00 176.54 177.36 3hhq h LEU 71 N 0.58 0.36 -0.10 3.11 3.38 -1.91 0.93 115.31 121.65 3hhq h LEU 71 Ca 0.13 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hhq h LEU 71 Cb 0.26 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3hhq h LEU 71 CO 0.00 0.77 -0.05 0.00 0.09 0.00 0.00 178.44 179.25 3hhq h ALA 72 N 1.24 0.04 -0.07 1.53 0.00 -1.23 -1.22 119.26 119.56 3hhq h ALA 72 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hhq h ALA 72 Cb 0.92 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hhq h ALA 72 CO 0.08 -0.51 -0.01 0.28 0.00 0.00 0.00 179.25 179.08 3hhq h VAL 73 N -0.05 1.28 0.00 0.00 2.07 -1.27 -2.13 116.25 116.15 3hhq h VAL 73 Ca 0.06 -0.88 -0.13 0.00 0.82 0.00 0.00 66.70 66.58 3hhq h VAL 73 Cb 0.14 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3hhq h VAL 73 CO -0.14 0.24 -1.01 0.11 0.02 0.00 0.00 177.57 176.79 3hhq h LYS 74 N -0.19 0.00 0.00 1.57 1.57 -0.88 -3.39 116.57 115.25 3hhq h LYS 74 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hhq h LYS 74 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3hhq h LYS 74 CO 0.01 0.34 0.00 0.09 -0.57 0.00 0.00 179.45 179.32 3hhq n ASN 75 N -3.00 0.33 -1.28 0.86 3.02 -0.50 -5.02 115.26 109.67 3hhq n ASN 75 Ca -0.04 -1.07 -0.12 0.00 -0.03 0.00 0.00 54.58 53.32 3hhq n ASN 75 Cb 0.77 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.93 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 -0.04 0.01 3.75 7.41 0.00 -0.80 -4.34 105.19 111.19 3hhq n GLY 76 Ca 0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.56 5.34 0.02 -0.61 -1.09 -0.99 -0.07 121.20 121.23 3hhq s ILE 77 Ca 0.00 0.43 0.06 0.00 -2.23 0.00 0.00 60.65 58.91 3hhq s ILE 77 Cb 0.00 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 3hhq s ILE 77 CO 0.00 0.44 -0.17 -1.58 -1.23 0.00 0.00 174.94 172.40 3hhq s GLN 78 N 0.18 1.26 0.30 2.79 2.00 0.23 -3.71 119.66 122.71 3hhq s GLN 78 Ca 0.14 -0.73 -0.28 0.00 -2.00 0.00 0.00 55.36 52.50 3hhq s GLN 78 Cb -0.13 -1.27 -0.09 0.00 0.80 0.00 0.00 33.01 32.32 3hhq s GLN 78 CO 0.03 0.33 0.98 0.95 -0.50 0.00 0.00 175.29 177.08 3hhq s THR 79 N -0.62 4.01 0.55 -0.34 -4.23 -1.26 0.74 115.64 114.50 3hhq s THR 79 Ca 0.06 1.81 0.04 0.00 -1.18 0.00 0.00 61.69 62.41 3hhq s THR 79 Cb -0.07 -4.07 0.04 0.00 1.34 0.00 0.00 72.50 69.74 3hhq s THR 79 CO 0.01 0.27 0.31 0.61 -0.54 0.00 0.00 174.62 175.27 3hhq n GLY 80 N 0.91 2.95 7.00 3.99 0.00 -0.39 -4.83 105.19 114.83 3hhq n GLY 80 Ca 0.01 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.70 0.00 -0.19 4.61 0.00 -1.26 -4.47 120.51 117.50 3hhq n ALA 81 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3hhq n ALA 81 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 0.70 3.41 0.00 0.00 -1.26 -4.94 105.19 103.10 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 -2.24 4.85 -0.30 1.61 1.01 -1.26 -0.96 120.40 123.10 3hhq s VAL 83 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 3hhq s VAL 83 Cb 0.00 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 3hhq s VAL 83 CO 0.00 -0.98 0.18 -0.69 0.00 0.00 0.00 175.10 173.61 3hhq s VAL 84 N 2.66 4.99 0.39 2.92 1.01 0.30 -4.98 120.40 127.70 3hhq s VAL 84 Ca 0.13 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 3hhq s VAL 84 Cb -0.22 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 3hhq s VAL 84 CO 0.09 0.13 1.06 -1.81 0.00 0.00 0.00 175.10 174.57 3hhq s ASP 85 N 1.69 6.76 0.44 3.32 1.11 -1.26 -1.06 116.67 127.67 3hhq s ASP 85 Ca 0.06 2.06 0.19 0.00 0.18 0.00 0.00 52.55 55.04 3hhq s ASP 85 Cb -0.17 -2.59 1.13 0.00 1.07 0.00 0.00 42.92 42.37 3hhq s ASP 85 CO 0.09 -0.49 1.89 -0.09 1.18 0.00 0.00 175.17 177.75 3hhq h ARG 86 N 2.55 0.33 -0.11 8.23 2.43 -1.91 -0.91 114.38 124.99 3hhq h ARG 86 Ca -0.48 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3hhq h ARG 86 Cb 1.22 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3hhq h ARG 86 CO 0.62 0.22 0.00 -0.40 -1.51 0.00 0.00 179.97 178.91 3hhq n ASP 87 N -4.47 0.96 -4.70 -3.80 5.75 -1.26 -4.50 116.55 104.54 3hhq n ASP 87 Ca 0.17 -1.66 -0.41 0.00 -0.01 0.00 0.00 54.79 52.88 3hhq n ASP 87 Cb 0.65 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.63 3hhq n ASP 87 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3hhq s TYR 88 N -1.86 3.54 -0.01 2.11 5.04 -0.35 -4.92 117.35 120.90 3hhq s TYR 88 Ca 0.27 1.40 0.02 0.00 -2.44 0.00 0.00 57.07 56.32 3hhq s TYR 88 Cb 0.14 -3.00 0.03 0.00 0.35 0.00 0.00 41.96 39.48 3hhq s TYR 88 CO 0.21 -0.08 0.85 0.25 -1.34 0.00 0.00 175.55 175.44 3hhq n THR 89 N 4.22 0.71 -1.94 4.34 -2.24 -1.26 -4.61 114.28 113.49 3hhq n THR 89 Ca 0.04 -0.74 -0.30 0.00 -2.27 0.00 0.00 64.05 60.78 3hhq n THR 89 Cb 0.50 0.59 0.17 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.86 1.76 0.15 3.38 0.00 -1.26 -4.88 107.32 105.62 3hhq s GLY 90 Ca 0.03 -1.15 -0.31 0.00 0.00 0.00 0.00 44.72 43.29 3hhq s GLY 90 CO 0.00 -0.41 1.81 1.85 0.00 0.00 0.00 173.10 176.34 3hhq s GLU 91 N -5.84 4.13 -0.44 2.90 2.12 -1.26 -4.47 118.70 115.84 3hhq s GLU 91 Ca 0.72 2.61 -0.28 0.00 0.36 0.00 0.00 54.97 58.38 3hhq s GLU 91 Cb -0.05 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.94 3hhq s GLU 91 CO 0.52 -0.82 1.10 0.08 -0.54 0.00 0.00 175.26 175.60 3hhq s VAL 92 N 2.26 4.30 0.08 3.70 1.01 0.02 -5.00 120.40 126.77 3hhq s VAL 92 Ca 0.79 1.27 0.03 0.00 0.00 0.00 0.00 61.98 64.06 3hhq s VAL 92 Cb -0.47 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 3hhq s VAL 92 CO 0.35 -0.88 0.12 -0.54 0.00 0.00 0.00 175.10 174.15 3hhq s LYS 93 N 4.20 3.02 -0.28 2.72 1.02 -1.26 -4.02 119.74 125.14 3hhq s LYS 93 Ca 0.46 -0.65 -0.10 0.00 0.02 0.00 0.00 55.97 55.70 3hhq s LYS 93 Cb -0.08 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 3hhq s LYS 93 CO 0.28 0.57 0.15 0.08 -0.92 0.00 0.00 175.35 175.50 3hhq s VAL 94 N -1.45 4.86 -0.05 3.17 1.01 -0.65 -4.88 120.40 122.41 3hhq s VAL 94 Ca 0.31 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 3hhq s VAL 94 Cb -0.12 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3hhq s VAL 94 CO 0.24 0.24 1.05 -0.69 0.00 0.00 0.00 175.10 175.94 3hhq s VAL 95 N 1.69 4.65 -0.05 2.92 1.01 -1.26 0.11 120.40 129.45 3hhq s VAL 95 Ca 0.06 1.91 0.05 0.00 0.00 0.00 0.00 61.98 64.00 3hhq s VAL 95 Cb -0.16 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 3hhq s VAL 95 CO 0.08 0.06 -0.20 -0.76 0.00 0.00 0.00 175.10 174.28 3hhq s LEU 96 N 1.68 1.96 -0.13 3.92 1.43 -0.02 -1.26 118.68 126.25 3hhq s LEU 96 Ca 0.52 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 3hhq s LEU 96 Cb -0.21 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 3hhq s LEU 96 CO 0.22 0.17 0.14 -0.36 0.23 0.00 0.00 176.35 176.76 3hhq s PHE 97 N 0.04 3.57 -0.35 0.29 0.40 0.23 -1.51 117.98 120.64 3hhq s PHE 97 Ca -0.06 0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 3hhq s PHE 97 Cb -0.13 -1.98 0.07 0.00 0.51 0.00 0.00 43.02 41.50 3hhq s PHE 97 CO 0.03 0.67 0.10 1.21 0.70 0.00 0.00 175.22 177.94 3hhq s ASN 98 N -0.82 5.12 0.00 1.36 3.84 0.10 -0.60 114.94 123.94 3hhq s ASN 98 Ca 0.14 -1.56 0.27 0.00 0.21 0.00 0.00 52.86 51.92 3hhq s ASN 98 Cb -0.12 -1.79 0.93 0.00 -0.55 0.00 0.00 41.25 39.73 3hhq s ASN 98 CO 0.03 -0.39 1.67 1.41 -2.79 0.00 0.00 177.10 177.04 3hhq n HIS 99 N 4.64 0.00 -2.22 0.43 8.25 0.90 -1.31 115.22 125.90 3hhq n HIS 99 Ca -0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.11 3hhq n HIS 99 Cb 0.43 -0.06 0.14 0.00 1.12 0.00 0.00 29.99 31.62 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 -2.23 3.75 0.00 0.41 1.04 -1.26 -4.73 113.70 110.69 3hhq s SER 100 Ca 0.32 0.02 0.25 0.00 0.48 0.00 0.00 55.95 57.02 3hhq s SER 100 Cb 0.20 -0.24 0.54 0.00 0.10 0.00 0.00 66.02 66.62 3hhq s SER 100 CO 0.42 -2.29 1.44 0.00 0.98 0.00 0.00 173.24 173.79 3hhq n GLN 101 N -3.32 1.42 -4.38 4.02 1.13 -1.26 -1.78 117.38 113.22 3hhq n GLN 101 Ca 0.15 -1.01 -0.34 0.00 -1.94 0.00 0.00 57.00 53.86 3hhq n GLN 101 Cb 0.60 -1.48 -0.13 0.00 0.11 0.00 0.00 30.24 29.34 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 -2.27 3.56 0.32 -1.09 0.52 -1.26 -4.82 118.95 113.91 3hhq s ARG 102 Ca 0.27 -0.57 -0.27 0.00 -0.52 0.00 0.00 55.73 54.64 3hhq s ARG 102 Cb 0.20 -2.89 -0.13 0.00 0.52 0.00 0.00 34.95 32.65 3hhq s ARG 102 CO 0.44 0.15 1.03 -0.25 0.02 0.00 0.00 175.30 176.69 3hhq n ASP 103 N 3.79 1.43 -4.37 0.23 10.43 -1.26 -4.32 116.55 122.48 3hhq n ASP 103 Ca -0.18 1.15 -0.38 0.00 2.57 0.00 0.00 54.79 57.96 3hhq n ASP 103 Cb 0.52 -1.32 -0.12 0.00 1.84 0.00 0.00 41.12 42.04 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 -1.11 3.18 -0.17 1.24 5.99 0.32 -4.91 117.98 122.52 3hhq s PHE 104 Ca 0.59 -0.89 -0.17 0.00 0.00 0.00 0.00 56.93 56.46 3hhq s PHE 104 Cb -0.66 -2.31 -0.04 0.00 0.00 0.00 0.00 43.02 40.01 3hhq s PHE 104 CO 0.60 -0.56 0.46 0.00 -0.00 0.00 0.00 175.22 175.71 3hhq s ALA 105 N 1.53 3.53 -0.13 11.12 0.00 -1.26 -0.71 121.76 135.84 3hhq s ALA 105 Ca 0.03 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.64 3hhq s ALA 105 Cb -0.18 -2.68 -0.00 0.00 0.00 0.00 0.00 23.12 20.27 3hhq s ALA 105 CO 0.04 -0.21 -0.19 0.42 0.00 0.00 0.00 175.76 175.82 3hhq s ILE 106 N 1.11 2.43 0.09 0.00 1.01 0.66 -5.01 121.20 121.49 3hhq s ILE 106 Ca 0.23 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3hhq s ILE 106 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3hhq s ILE 106 CO 0.09 0.54 0.05 -0.54 0.00 0.00 0.00 174.94 175.08 3hhq s LYS 107 N 0.55 2.76 0.08 2.79 3.01 -1.26 -1.63 119.74 126.04 3hhq s LYS 107 Ca -0.12 -0.76 -0.37 0.00 -1.01 0.00 0.00 55.97 53.72 3hhq s LYS 107 Cb -0.16 -2.65 -0.17 0.00 -1.01 0.00 0.00 37.83 33.83 3hhq s LYS 107 CO 0.04 0.55 1.28 1.17 0.51 0.00 0.00 175.35 178.90 3hhq n LYS 108 N 0.44 0.97 0.00 1.68 0.00 -1.24 -1.26 118.16 118.74 3hhq n LYS 108 Ca -0.09 0.35 0.00 0.00 0.00 0.00 0.00 58.31 58.57 3hhq n LYS 108 Cb 0.52 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.59 3hhq n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hhq n GLY 109 N 2.33 1.59 3.77 3.14 0.00 0.38 -4.94 105.19 111.45 3hhq n GLY 109 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.91 6.83 -0.14 1.61 1.01 -0.39 -4.65 116.67 119.04 3hhq s ASP 110 Ca 0.00 2.30 -0.29 0.00 0.71 0.00 0.00 52.55 55.27 3hhq s ASP 110 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 3hhq s ASP 110 CO 0.00 -0.46 1.08 -0.13 0.21 0.00 0.00 175.17 175.87 3hhq s ARG 111 N -2.00 4.34 0.00 8.23 0.52 -1.26 -0.42 118.95 128.36 3hhq s ARG 111 Ca 0.52 1.46 0.03 0.00 -0.52 0.00 0.00 55.73 57.22 3hhq s ARG 111 Cb -0.31 -3.60 0.02 0.00 0.52 0.00 0.00 34.95 31.59 3hhq s ARG 111 CO 0.39 -0.47 0.54 1.33 0.02 0.00 0.00 175.30 177.11 3hhq n VAL 112 N 4.87 0.00 0.00 3.52 0.24 -0.24 -4.95 118.33 121.77 3hhq n VAL 112 Ca 0.11 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3hhq n VAL 112 Cb 0.47 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 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 0.00 0.00 -2.77 2.33 0.00 -1.24 -4.61 120.51 114.22 3hhq n ALA 113 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 3hhq n ALA 113 Cb 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.00 0.68 -0.26 0.00 -2.07 -0.67 -1.19 119.66 114.15 3hhq s GLN 114 Ca 0.00 -0.83 -0.09 0.00 -1.82 0.00 0.00 55.36 52.62 3hhq s GLN 114 Cb 0.00 -0.58 -0.04 0.00 -1.09 0.00 0.00 33.01 31.30 3hhq s GLN 114 CO 0.00 0.12 0.12 -1.17 -1.32 0.00 0.00 175.29 173.04 3hhq s LEU 115 N -1.57 3.70 -0.09 2.60 2.96 0.21 -0.91 118.68 125.57 3hhq s LEU 115 Ca -0.05 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 3hhq s LEU 115 Cb -0.10 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3hhq s LEU 115 CO 0.01 -0.03 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.28 3hhq s ILE 116 N 1.63 3.43 -1.13 6.68 1.01 -0.43 0.17 121.20 132.56 3hhq s ILE 116 Ca 0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 3hhq s ILE 116 Cb -0.15 -2.42 0.26 0.00 0.01 0.00 0.00 42.46 40.15 3hhq s ILE 116 CO 0.07 0.56 1.18 -0.76 0.00 0.00 0.00 174.94 175.98 3hhq s LEU 117 N -0.29 6.07 0.10 2.97 1.43 -1.26 0.02 118.68 127.73 3hhq s LEU 117 Ca 0.03 -3.47 -0.31 0.00 -1.03 0.00 0.00 54.13 49.35 3hhq s LEU 117 Cb -0.13 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 3hhq s LEU 117 CO 0.03 -0.38 1.73 -1.61 0.23 0.00 0.00 176.35 176.34 3hhq s GLU 118 N -0.66 4.17 0.17 1.70 0.41 -0.94 -4.87 118.70 118.67 3hhq s GLU 118 Ca 0.33 2.46 -0.30 0.00 -0.41 0.00 0.00 54.97 57.05 3hhq s GLU 118 Cb -0.08 -3.57 -0.07 0.00 -1.78 0.00 0.00 34.13 28.62 3hhq s GLU 118 CO -0.06 -0.78 0.96 0.15 -0.49 0.00 0.00 175.26 175.04 3hhq s LYS 119 N 2.61 4.76 0.14 1.61 1.02 -1.26 -1.65 119.74 126.97 3hhq s LYS 119 Ca 0.77 1.49 -0.03 0.00 0.02 0.00 0.00 55.97 58.22 3hhq s LYS 119 Cb -0.43 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 3hhq s LYS 119 CO 0.34 0.33 0.13 0.96 -0.92 0.00 0.00 175.35 176.18 3hhq s ILE 120 N -0.51 0.09 -0.44 2.17 -4.36 -0.64 -4.97 121.20 112.54 3hhq s ILE 120 Ca 0.45 -1.76 -0.23 0.00 -0.26 0.00 0.00 60.65 58.85 3hhq s ILE 120 Cb -0.25 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.49 3hhq s ILE 120 CO 0.31 -0.40 0.80 -0.69 0.24 0.00 0.00 174.94 175.20 3hhq s VAL 121 N -4.03 4.63 -1.80 8.37 1.01 -1.26 -4.71 120.40 122.61 3hhq s VAL 121 Ca 0.22 0.50 0.22 0.00 0.00 0.00 0.00 61.98 62.93 3hhq s VAL 121 Cb 0.06 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 3hhq s VAL 121 CO 0.01 -0.71 1.05 -0.90 0.00 0.00 0.00 175.10 174.55 3hhq n ASP 122 N 6.75 1.80 -2.50 3.32 3.85 -1.26 -4.50 116.55 124.01 3hhq n ASP 122 Ca 0.03 -1.40 -0.10 0.00 -0.71 0.00 0.00 54.79 52.61 3hhq n ASP 122 Cb 0.48 0.59 0.04 0.00 -1.35 0.00 0.00 41.12 40.88 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 -0.35 2.96 -4.76 -1.12 3.85 -1.26 -5.07 116.55 110.79 3hhq n ASP 123 Ca 0.08 -2.75 -0.35 0.00 -0.71 0.00 0.00 54.79 51.06 3hhq n ASP 123 Cb 0.44 -0.42 0.02 0.00 -1.35 0.00 0.00 41.12 39.80 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 -3.71 2.61 -0.13 2.12 0.00 -1.26 -5.05 121.76 116.34 3hhq s ALA 124 Ca 0.37 0.89 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 3hhq s ALA 124 Cb 0.36 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3hhq s ALA 124 CO -0.01 -0.98 0.08 -0.65 0.00 0.00 0.00 175.76 174.20 3hhq s GLN 125 N -3.35 3.46 0.11 0.00 -0.21 -1.26 -5.11 119.66 113.29 3hhq s GLN 125 Ca 0.75 -0.26 -0.15 0.00 0.02 0.00 0.00 55.36 55.71 3hhq s GLN 125 Cb -0.27 -3.09 -0.07 0.00 1.00 0.00 0.00 33.01 30.59 3hhq s GLN 125 CO 0.30 0.63 0.54 0.42 -2.12 0.00 0.00 175.29 175.06 3hhq s ILE 126 N -0.62 4.85 -0.12 1.08 1.01 -1.26 -5.09 121.20 121.05 3hhq s ILE 126 Ca 0.12 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.69 3hhq s ILE 126 Cb -0.12 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.60 3hhq s ILE 126 CO 0.02 0.35 -0.11 -0.69 0.00 0.00 0.00 174.94 174.51 3hhq s VAL 127 N -1.34 1.27 -0.24 2.92 1.01 -1.26 -5.11 120.40 117.64 3hhq s VAL 127 Ca 0.34 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 3hhq s VAL 127 Cb -0.16 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3hhq s VAL 127 CO 0.19 0.40 0.63 -0.69 0.00 0.00 0.00 175.10 175.63 3hhq s VAL 128 N 1.42 4.99 0.34 2.92 1.01 -1.26 -5.05 120.40 124.77 3hhq s VAL 128 Ca 0.01 1.16 0.10 0.00 0.00 0.00 0.00 61.98 63.24 3hhq s VAL 128 Cb -0.13 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3hhq s VAL 128 CO -0.07 0.04 -0.10 0.68 0.00 0.00 0.00 175.10 175.66 3hhq s VAL 129 N 2.37 2.24 -0.13 2.92 -7.23 -1.26 -5.08 120.40 114.23 3hhq s VAL 129 Ca 0.27 -2.22 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 3hhq s VAL 129 Cb -0.16 -2.62 -0.26 0.00 0.56 0.00 0.00 36.38 33.90 3hhq s VAL 129 CO 0.09 -0.21 0.81 0.44 -0.31 0.00 0.00 175.10 175.91 3hhq h ASP 130 N 2.04 0.01 -4.63 4.85 3.32 -2.10 -3.46 116.42 116.46 3hhq h ASP 130 Ca -0.42 -0.97 -0.27 0.00 0.02 0.00 0.00 57.03 55.39 3hhq h ASP 130 Cb 1.25 -0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 3hhq h ASP 130 CO 0.70 0.98 -0.66 -0.94 -1.72 0.00 0.00 179.24 177.60 3hhq s SER 131 N -6.21 1.09 0.00 6.45 1.04 -1.26 -5.36 113.70 109.46 3hhq s SER 131 Ca -0.19 -1.18 0.28 0.00 0.48 0.00 0.00 55.95 55.35 3hhq s SER 131 Cb -0.03 0.14 1.09 0.00 0.10 0.00 0.00 66.02 67.33 3hhq s SER 131 CO 0.69 -0.59 1.77 0.18 0.98 0.00 0.00 173.24 176.27