#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 1.46 -0.32 -0.18 -7.23 -1.26 -5.06 120.40 107.80 3hhq s VAL 8 Ca 0.00 -0.99 -0.09 0.00 -1.81 0.00 0.00 61.98 59.09 3hhq s VAL 8 Cb 0.00 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.69 3hhq s VAL 8 CO 0.00 0.24 0.14 -0.22 -0.31 0.00 0.00 175.10 174.95 3hhq s LEU 9 N -0.88 4.14 -0.30 1.32 2.96 -1.26 -3.68 118.68 120.98 3hhq s LEU 9 Ca 0.06 -0.68 -0.16 0.00 -0.22 0.00 0.00 54.13 53.13 3hhq s LEU 9 Cb -0.08 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3hhq s LEU 9 CO 0.01 -0.23 0.42 -0.54 -1.32 0.00 0.00 176.35 174.68 3hhq s LYS 10 N 1.56 3.87 -0.15 1.98 1.02 -0.90 -4.98 119.74 122.14 3hhq s LYS 10 Ca 0.03 -0.04 -0.05 0.00 0.02 0.00 0.00 55.97 55.93 3hhq s LYS 10 Cb -0.18 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 3hhq s LYS 10 CO 0.05 -0.40 0.02 0.42 -0.92 0.00 0.00 175.35 174.52 3hhq s ILE 11 N 2.16 4.46 -0.23 2.17 -1.09 -1.26 -1.19 121.20 126.21 3hhq s ILE 11 Ca 0.16 -0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.39 3hhq s ILE 11 Cb -0.16 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.77 3hhq s ILE 11 CO 0.11 0.51 -0.06 -1.58 -1.23 0.00 0.00 174.94 172.68 3hhq s GLN 12 N 0.06 3.09 -0.45 2.79 0.74 0.90 -4.99 119.66 121.80 3hhq s GLN 12 Ca 0.03 -0.81 -0.29 0.00 0.05 0.00 0.00 55.36 54.35 3hhq s GLN 12 Cb -0.13 -2.96 0.02 0.00 1.10 0.00 0.00 33.01 31.04 3hhq s GLN 12 CO 0.02 -0.30 1.20 -0.51 -0.55 0.00 0.00 175.29 175.15 3hhq s LEU 13 N 1.39 3.64 0.35 3.68 1.43 -1.26 -1.68 118.68 126.23 3hhq s LEU 13 Ca 0.03 0.59 0.21 0.00 -1.03 0.00 0.00 54.13 53.93 3hhq s LEU 13 Cb -0.15 -3.55 0.21 0.00 0.03 0.00 0.00 46.19 42.73 3hhq s LEU 13 CO -0.05 -1.28 1.46 0.03 0.23 0.00 0.00 176.35 176.75 3hhq h ARG 14 N 9.52 0.00 -3.58 1.70 3.08 -1.34 -3.47 114.38 120.30 3hhq h ARG 14 Ca -0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 3hhq h ARG 14 Cb 1.07 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.00 3hhq h ARG 14 CO 1.11 0.13 -0.16 -1.54 -1.07 0.00 0.00 179.97 178.45 3hhq s SER 15 N -6.14 -0.11 0.41 7.04 1.04 -1.25 -5.02 113.70 109.67 3hhq s SER 15 Ca 0.05 -0.58 0.21 0.00 0.48 0.00 0.00 55.95 56.11 3hhq s SER 15 Cb 0.06 0.47 1.16 0.00 0.10 0.00 0.00 66.02 67.82 3hhq s SER 15 CO 0.71 -0.91 1.61 0.00 0.98 0.00 0.00 173.24 175.64 3hhq h ALA 16 N 2.43 1.13 0.00 5.32 0.00 -1.95 -1.78 119.26 124.41 3hhq h ALA 16 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hhq h ALA 16 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hhq h ALA 16 CO 0.46 -0.13 0.00 0.77 0.00 0.00 0.00 179.25 180.35 3hhq h SER 17 N 0.00 0.00 -4.17 0.00 0.02 -1.95 -3.47 113.55 103.99 3hhq h SER 17 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 3hhq h SER 17 Cb 0.35 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.96 3hhq h SER 17 CO 0.00 0.00 0.39 0.00 -1.14 0.00 0.00 176.83 176.08 3hhq s ALA 18 N -3.19 2.65 -0.13 3.77 0.00 -0.67 -4.46 121.76 119.73 3hhq s ALA 18 Ca 0.08 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3hhq s ALA 18 Cb 0.11 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3hhq s ALA 18 CO 0.54 -0.91 -0.21 0.99 0.00 0.00 0.00 175.76 176.16 3hhq s THR 19 N -2.26 1.97 0.01 0.00 2.01 -1.26 -5.02 115.64 111.10 3hhq s THR 19 Ca 0.67 -0.93 -0.35 0.00 0.31 0.00 0.00 61.69 61.38 3hhq s THR 19 Cb -0.19 -1.75 -0.14 0.00 0.01 0.00 0.00 72.50 70.44 3hhq s THR 19 CO 0.35 0.53 1.63 0.52 -0.69 0.00 0.00 174.62 176.97 3hhq n VAL 20 N 4.01 0.20 -1.57 3.82 0.31 -1.26 -4.73 118.33 119.11 3hhq n VAL 20 Ca -0.20 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 63.71 3hhq n VAL 20 Cb 0.52 -1.43 0.04 0.00 -0.91 0.00 0.00 33.84 32.06 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 4.39 0.86 -4.19 5.55 -0.02 -1.26 -5.01 135.00 135.32 3hhq n PRO 21 Ca 0.20 0.33 -0.19 0.00 -2.02 0.00 0.00 63.50 61.82 3hhq n PRO 21 Cb 0.25 -2.02 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.53 1.19 -0.32 3.45 -4.23 -1.20 -4.85 115.64 108.15 3hhq s THR 22 Ca 0.72 -1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 3hhq s THR 22 Cb -0.45 -1.14 0.11 0.00 1.34 0.00 0.00 72.50 72.36 3hhq s THR 22 CO 0.50 -0.19 0.12 -0.75 -0.54 0.00 0.00 174.62 173.76 3hhq s LYS 23 N -1.74 0.68 0.23 3.99 2.20 -1.26 -0.10 119.74 123.74 3hhq s LYS 23 Ca -0.01 -1.11 -0.12 0.00 -0.36 0.00 0.00 55.97 54.38 3hhq s LYS 23 Cb -0.10 -1.86 0.30 0.00 -1.51 0.00 0.00 37.83 34.66 3hhq s LYS 23 CO 0.02 -1.02 1.62 0.78 -0.36 0.00 0.00 175.35 176.39 3hhq h GLY 24 N 7.93 0.55 -3.17 5.54 0.00 -1.99 -3.43 103.07 108.49 3hhq h GLY 24 Ca -0.12 0.21 -0.52 0.00 0.00 0.00 0.00 47.33 46.90 3hhq h GLY 24 CO 0.46 -0.27 -0.78 -1.35 0.00 0.00 0.00 176.54 174.60 3hhq s SER 25 N -5.23 2.72 0.28 0.19 1.04 -1.26 -5.04 113.70 106.40 3hhq s SER 25 Ca -0.14 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.42 3hhq s SER 25 Cb 0.21 -0.16 0.41 0.00 0.10 0.00 0.00 66.02 66.58 3hhq s SER 25 CO 0.75 -0.04 1.74 0.00 0.98 0.00 0.00 173.24 176.66 3hhq h ALA 26 N 3.14 1.12 -0.74 5.32 0.00 -2.01 -2.95 119.26 123.13 3hhq h ALA 26 Ca -0.42 -0.32 -0.39 0.00 0.00 0.00 0.00 54.91 53.78 3hhq h ALA 26 Cb 1.21 -0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.64 3hhq h ALA 26 CO 0.52 0.55 0.49 0.25 0.00 0.00 0.00 179.25 181.06 3hhq n THR 27 N -4.15 2.65 -4.01 0.00 -2.24 -1.26 -4.86 114.28 100.41 3hhq n THR 27 Ca 0.00 -1.43 -0.35 0.00 -2.27 0.00 0.00 64.05 60.00 3hhq n THR 27 Cb 0.38 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.46 3.73 0.41 6.98 0.00 -1.12 -5.01 121.76 124.30 3hhq s ALA 28 Ca 0.42 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.72 3hhq s ALA 28 Cb 0.36 -1.79 0.85 0.00 0.00 0.00 0.00 23.12 22.53 3hhq s ALA 28 CO 0.08 0.65 2.05 0.00 0.00 0.00 0.00 175.76 178.54 3hhq h ALA 29 N 4.62 1.68 -2.55 0.00 0.00 -1.90 -3.48 119.26 117.64 3hhq h ALA 29 Ca -0.52 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 3hhq h ALA 29 Cb 1.21 -0.16 -0.17 0.00 0.00 0.00 0.00 17.79 18.67 3hhq h ALA 29 CO 0.60 0.28 -0.56 0.20 0.00 0.00 0.00 179.25 179.78 3hhq s GLY 30 N -3.71 0.23 -0.11 0.00 0.00 -1.26 -4.48 107.32 97.98 3hhq s GLY 30 Ca -0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 3hhq s GLY 30 CO 0.73 -0.83 -0.03 -0.19 0.00 0.00 0.00 173.10 172.78 3hhq s TYR 31 N -2.90 3.05 0.27 1.90 1.51 -0.13 -4.67 117.35 116.38 3hhq s TYR 31 Ca -0.02 -0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 55.68 3hhq s TYR 31 Cb 0.01 -1.85 -0.10 0.00 -0.11 0.00 0.00 41.96 39.91 3hhq s TYR 31 CO -0.06 0.21 1.23 -0.51 -1.11 0.00 0.00 175.55 175.31 3hhq s ASP 32 N -0.29 6.99 -0.11 2.29 1.01 0.86 0.63 116.67 128.05 3hhq s ASP 32 Ca 0.05 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.77 3hhq s ASP 32 Cb -0.12 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 3hhq s ASP 32 CO 0.02 -0.39 -0.12 -0.63 0.21 0.00 0.00 175.17 174.27 3hhq s ILE 33 N -0.79 3.19 -0.07 0.77 1.09 -0.43 -3.27 121.20 121.68 3hhq s ILE 33 Ca 0.49 -0.63 0.05 0.00 -1.10 0.00 0.00 60.65 59.46 3hhq s ILE 33 Cb -0.36 -2.32 -0.01 0.00 -1.06 0.00 0.00 42.46 38.71 3hhq s ILE 33 CO 0.44 0.54 -0.22 -0.31 -0.10 0.00 0.00 174.94 175.30 3hhq s TYR 34 N 0.01 2.53 0.48 3.97 2.02 -1.26 -0.34 117.35 124.76 3hhq s TYR 34 Ca -0.03 -0.67 -0.23 0.00 -0.37 0.00 0.00 57.07 55.76 3hhq s TYR 34 Cb -0.14 -1.65 -0.07 0.00 -0.40 0.00 0.00 41.96 39.71 3hhq s TYR 34 CO 0.04 -0.19 1.26 0.00 -1.57 0.00 0.00 175.55 175.09 3hhq s ALA 35 N -0.12 2.97 -0.78 3.71 0.00 0.59 -4.54 121.76 123.59 3hhq s ALA 35 Ca -0.04 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.15 3hhq s ALA 35 Cb -0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3hhq s ALA 35 CO 0.04 -0.94 0.57 -1.13 0.00 0.00 0.00 175.76 174.29 3hhq n SER 36 N -0.57 0.95 -3.79 0.00 3.41 -0.22 -0.71 113.62 112.69 3hhq n SER 36 Ca 0.08 -0.97 -0.13 0.00 -0.26 0.00 0.00 58.87 57.59 3hhq n SER 36 Cb 0.46 0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 64.96 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 -1.62 0.16 0.27 4.33 0.74 -1.25 -4.74 119.66 117.55 3hhq s GLN 37 Ca 0.07 0.28 -0.29 0.00 0.05 0.00 0.00 55.36 55.47 3hhq s GLN 37 Cb 0.08 0.01 -0.15 0.00 1.10 0.00 0.00 33.01 34.05 3hhq s GLN 37 CO 0.32 -0.07 0.97 -0.25 -0.55 0.00 0.00 175.29 175.71 3hhq n ASP 38 N 3.39 1.01 -3.56 6.67 9.92 -1.26 -4.17 116.55 128.55 3hhq n ASP 38 Ca -0.17 1.17 -0.13 0.00 -0.53 0.00 0.00 54.79 55.13 3hhq n ASP 38 Cb 0.57 -1.24 -0.06 0.00 -0.64 0.00 0.00 41.12 39.75 3hhq n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hhq s ILE 39 N -0.96 0.00 -0.10 0.53 2.07 -0.22 -4.95 121.20 117.58 3hhq s ILE 39 Ca 0.61 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.85 3hhq s ILE 39 Cb -0.74 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.82 3hhq s ILE 39 CO 0.59 0.00 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.64 3hhq s THR 40 N -1.09 3.51 -0.37 4.00 2.01 -1.26 -0.39 115.64 122.04 3hhq s THR 40 Ca -0.05 -0.53 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 3hhq s THR 40 Cb -0.00 -2.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.05 3hhq s THR 40 CO 0.05 0.56 0.36 -0.63 -0.69 0.00 0.00 174.62 174.26 3hhq s ILE 41 N -0.29 5.17 0.45 1.82 -1.09 -0.22 -4.87 121.20 122.17 3hhq s ILE 41 Ca 0.03 -0.17 -0.24 0.00 -2.23 0.00 0.00 60.65 58.05 3hhq s ILE 41 Cb -0.13 -3.88 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 3hhq s ILE 41 CO 0.03 -0.19 1.19 -2.16 -1.23 0.00 0.00 174.94 172.57 3hhq s PRO 42 N 1.97 3.81 -0.16 2.79 0.04 -1.26 -0.89 135.00 141.30 3hhq s PRO 42 Ca 0.10 1.85 -0.41 0.00 0.04 0.00 0.00 61.00 62.58 3hhq s PRO 42 Cb -0.17 -2.49 -0.19 0.00 0.04 0.00 0.00 34.50 31.68 3hhq s PRO 42 CO 0.12 -0.53 1.21 0.00 0.04 0.00 0.00 177.00 177.84 3hhq n ALA 43 N -0.33 -2.81 -3.27 8.56 0.00 -1.26 -1.22 120.51 120.17 3hhq n ALA 43 Ca 0.06 0.55 -0.23 0.00 0.00 0.00 0.00 53.44 53.82 3hhq n ALA 43 Cb 0.47 -1.76 0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 2.27 -4.40 0.00 0.00 2.81 -0.01 -4.91 117.12 112.88 3hhq n MET 44 Ca 0.23 0.68 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 3hhq n MET 44 Cb 0.03 -5.49 0.00 0.00 -0.71 0.00 0.00 33.22 27.05 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 -1.40 5.12 3.63 3.03 0.00 -0.36 -4.96 105.19 110.25 3hhq n GLY 45 Ca -0.05 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 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 2.97 1.77 -0.06 1.61 -2.07 -1.26 -1.42 119.66 121.20 3hhq s GLN 46 Ca 0.00 -1.38 -0.31 0.00 -1.82 0.00 0.00 55.36 51.85 3hhq s GLN 46 Cb 0.00 0.50 0.11 0.00 -1.09 0.00 0.00 33.01 32.54 3hhq s GLN 46 CO 0.00 -0.76 0.98 0.20 -1.32 0.00 0.00 175.29 174.39 3hhq s GLY 47 N -3.07 -0.41 -0.20 2.60 0.00 -0.72 -4.25 107.32 101.26 3hhq s GLY 47 Ca 0.22 1.19 -0.04 0.00 0.00 0.00 0.00 44.72 46.10 3hhq s GLY 47 CO 0.12 0.40 -0.04 1.06 0.00 0.00 0.00 173.10 174.64 3hhq s MET 48 N -2.90 3.44 -0.19 2.90 -1.94 -1.26 -0.82 119.30 118.53 3hhq s MET 48 Ca 0.06 -0.60 -0.09 0.00 -1.71 0.00 0.00 55.69 53.35 3hhq s MET 48 Cb -0.01 -2.98 -0.05 0.00 2.01 0.00 0.00 34.83 33.81 3hhq s MET 48 CO -0.08 -0.08 0.10 0.08 -0.01 0.00 0.00 175.02 175.03 3hhq s VAL 49 N 1.19 5.16 0.17 -6.03 1.01 0.79 -4.90 120.40 117.80 3hhq s VAL 49 Ca 0.02 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 3hhq s VAL 49 Cb -0.14 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 3hhq s VAL 49 CO -0.01 0.45 0.92 -0.44 0.00 0.00 0.00 175.10 176.03 3hhq s SER 50 N 0.35 7.55 -0.01 3.32 0.01 -1.26 -0.84 113.70 122.81 3hhq s SER 50 Ca 0.06 1.84 0.09 0.00 1.31 0.00 0.00 55.95 59.24 3hhq s SER 50 Cb -0.12 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.40 3hhq s SER 50 CO -0.01 0.07 0.20 0.35 0.41 0.00 0.00 173.24 174.26 3hhq n THR 51 N 2.07 0.00 -3.06 1.44 -2.24 -1.26 -1.05 114.28 110.18 3hhq n THR 51 Ca -0.01 -0.20 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 3hhq n THR 51 Cb 0.48 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.77 -2.90 -4.34 3.42 8.00 -1.26 -4.39 116.55 113.30 3hhq n ASP 52 Ca -0.01 -0.12 -0.24 0.00 0.71 0.00 0.00 54.79 55.12 3hhq n ASP 52 Cb 0.22 -2.47 -0.12 0.00 -0.02 0.00 0.00 41.12 38.73 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 -2.66 1.92 0.15 0.53 -4.36 -1.26 -0.80 121.20 114.72 3hhq s ILE 53 Ca 0.25 -1.81 0.07 0.00 -0.26 0.00 0.00 60.65 58.90 3hhq s ILE 53 Cb -0.14 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.71 3hhq s ILE 53 CO 0.31 -0.17 -0.16 -0.44 0.24 0.00 0.00 174.94 174.72 3hhq s SER 54 N -2.39 2.40 0.05 4.36 0.01 -0.68 -1.20 113.70 116.24 3hhq s SER 54 Ca 0.14 -0.86 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 3hhq s SER 54 Cb -0.08 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 3hhq s SER 54 CO 0.06 -0.10 0.08 0.72 0.41 0.00 0.00 173.24 174.41 3hhq s PHE 55 N -2.22 0.26 -0.26 2.43 -0.71 -1.26 -0.07 117.98 116.16 3hhq s PHE 55 Ca 0.14 -0.62 0.01 0.00 -1.04 0.00 0.00 56.93 55.42 3hhq s PHE 55 Cb -0.05 -0.18 0.05 0.00 -1.21 0.00 0.00 43.02 41.63 3hhq s PHE 55 CO 0.05 -0.38 -0.09 0.99 -1.34 0.00 0.00 175.22 174.45 3hhq s THR 56 N -2.95 2.45 0.70 -4.49 2.01 -0.33 -4.76 115.64 108.26 3hhq s THR 56 Ca -0.02 -1.40 -0.12 0.00 0.31 0.00 0.00 61.69 60.46 3hhq s THR 56 Cb 0.01 -2.35 0.02 0.00 0.01 0.00 0.00 72.50 70.18 3hhq s THR 56 CO -0.06 0.06 1.08 0.68 -0.69 0.00 0.00 174.62 175.68 3hhq s VAL 57 N 1.19 3.67 0.86 3.82 -7.23 -1.26 -2.13 120.40 119.32 3hhq s VAL 57 Ca -0.05 0.61 -0.12 0.00 -1.81 0.00 0.00 61.98 60.60 3hhq s VAL 57 Cb -0.19 -3.20 0.09 0.00 0.56 0.00 0.00 36.38 33.64 3hhq s VAL 57 CO -0.05 -0.65 1.05 -2.65 -0.31 0.00 0.00 175.10 172.50 3hhq n PRO 58 N -3.01 -0.08 -1.67 4.82 -0.02 -1.24 -4.92 135.00 128.89 3hhq n PRO 58 Ca 0.09 0.05 -0.49 0.00 -2.02 0.00 0.00 63.50 61.12 3hhq n PRO 58 Cb 0.53 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 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 -3.59 0.27 0.00 -1.45 0.31 -1.26 -2.76 118.33 109.85 3hhq n VAL 59 Ca 0.12 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 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 3.79 0.58 3.42 2.92 0.00 -1.26 -5.06 105.19 109.57 3hhq n GLY 60 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 1.96 0.34 2.61 -4.23 -1.11 -1.32 115.64 111.88 3hhq s THR 61 Ca 0.00 -2.24 0.09 0.00 -1.18 0.00 0.00 61.69 58.36 3hhq s THR 61 Cb 0.00 -2.27 -0.06 0.00 1.34 0.00 0.00 72.50 71.51 3hhq s THR 61 CO 0.00 -0.43 -0.04 -0.72 -0.54 0.00 0.00 174.62 172.89 3hhq s TYR 62 N -2.83 2.48 -0.35 3.99 1.13 -0.60 -4.57 117.35 116.61 3hhq s TYR 62 Ca 0.27 -0.45 -0.21 0.00 -1.41 0.00 0.00 57.07 55.27 3hhq s TYR 62 Cb -0.00 -1.42 0.00 0.00 -1.10 0.00 0.00 41.96 39.44 3hhq s TYR 62 CO 0.11 0.53 0.65 0.20 -2.51 0.00 0.00 175.55 174.54 3hhq s GLY 63 N -3.66 1.74 -0.22 5.49 0.00 -0.41 -2.49 107.32 107.77 3hhq s GLY 63 Ca 0.34 -0.80 -0.15 0.00 0.00 0.00 0.00 44.72 44.10 3hhq s GLY 63 CO 0.18 1.52 0.38 -1.60 0.00 0.00 0.00 173.10 173.58 3hhq s ARG 64 N 2.74 4.14 -0.46 2.90 3.52 0.23 -0.83 118.95 131.18 3hhq s ARG 64 Ca 0.25 0.15 -0.25 0.00 -0.13 0.00 0.00 55.73 55.75 3hhq s ARG 64 Cb -0.14 -3.56 0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3hhq s ARG 64 CO 0.15 -0.09 0.90 0.42 -0.81 0.00 0.00 175.30 175.87 3hhq s ILE 65 N 1.47 4.50 0.18 4.11 -1.09 0.59 -1.01 121.20 129.95 3hhq s ILE 65 Ca 0.18 0.68 0.09 0.00 -2.23 0.00 0.00 60.65 59.37 3hhq s ILE 65 Cb -0.15 -4.41 -0.04 0.00 -1.58 0.00 0.00 42.46 36.27 3hhq s ILE 65 CO 0.08 -0.82 -0.10 0.00 -1.23 0.00 0.00 174.94 172.88 3hhq s ALA 66 N 3.67 2.94 0.36 9.38 0.00 -0.08 -4.66 121.76 133.36 3hhq s ALA 66 Ca 0.36 -1.47 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 3hhq s ALA 66 Cb -0.10 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.19 3hhq s ALA 66 CO 0.26 0.47 1.04 -1.25 0.00 0.00 0.00 175.76 176.28 3hhq s PRO 67 N -2.82 4.36 0.19 0.00 0.04 -1.26 -1.29 135.00 134.22 3hhq s PRO 67 Ca 0.25 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.54 3hhq s PRO 67 Cb -0.09 -2.75 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 3hhq s PRO 67 CO 0.15 0.02 1.44 1.03 0.04 0.00 0.00 177.00 179.68 3hhq s ARG 68 N -2.15 4.29 0.14 4.56 0.52 -1.26 -4.74 118.95 120.32 3hhq s ARG 68 Ca 0.53 2.23 -0.13 0.00 -0.52 0.00 0.00 55.73 57.84 3hhq s ARG 68 Cb -0.24 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.07 3hhq s ARG 68 CO 0.30 -0.44 1.58 0.77 0.02 0.00 0.00 175.30 177.54 3hhq h SER 69 N 5.84 0.83 -0.47 0.23 0.02 -1.97 -3.08 113.55 114.94 3hhq h SER 69 Ca -0.44 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.16 3hhq h SER 69 Cb 1.21 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 3hhq h SER 69 CO 0.82 0.95 0.22 1.23 -1.14 0.00 0.00 176.83 178.92 3hhq h GLY 70 N 0.68 0.79 1.93 -3.77 0.00 -2.00 -2.53 103.07 98.17 3hhq h GLY 70 Ca 0.13 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 3hhq h GLY 70 CO 0.03 0.36 -0.55 1.41 0.00 0.00 0.00 176.54 177.79 3hhq h LEU 71 N 0.73 0.09 0.06 3.11 3.38 -1.91 0.14 115.31 120.90 3hhq h LEU 71 Ca 0.18 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hhq h LEU 71 Cb 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hhq h LEU 71 CO -0.02 0.62 -0.03 0.00 0.09 0.00 0.00 178.44 179.10 3hhq h ALA 72 N 1.39 -0.07 -0.23 1.53 0.00 -1.38 0.10 119.26 120.59 3hhq h ALA 72 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hhq h ALA 72 Cb 0.98 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hhq h ALA 72 CO 0.08 -0.45 0.04 0.28 0.00 0.00 0.00 179.25 179.19 3hhq h VAL 73 N -0.26 1.23 0.00 0.00 2.07 -1.37 -2.06 116.25 115.86 3hhq h VAL 73 Ca -0.01 -0.77 -0.23 0.00 0.82 0.00 0.00 66.70 66.52 3hhq h VAL 73 Cb 0.23 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3hhq h VAL 73 CO 0.01 0.24 -1.15 0.50 0.02 0.00 0.00 177.57 177.20 3hhq h LYS 74 N 0.19 0.00 0.00 1.57 3.64 -0.74 -3.40 116.57 117.84 3hhq h LYS 74 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hhq h LYS 74 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3hhq h LYS 74 CO 0.00 0.90 0.00 0.09 -2.27 0.00 0.00 179.45 178.18 3hhq n ASN 75 N -3.29 0.21 -1.77 4.20 3.02 -0.02 -5.01 115.26 112.59 3hhq n ASN 75 Ca -0.04 -0.55 -0.13 0.00 -0.03 0.00 0.00 54.58 53.84 3hhq n ASN 75 Cb 0.96 0.32 0.02 0.00 -0.61 0.00 0.00 39.78 40.48 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 0.32 -0.01 3.72 7.41 0.00 -0.78 -3.97 105.19 111.89 3hhq n GLY 76 Ca 0.00 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.87 5.21 -0.05 -0.61 -1.09 -1.04 0.64 121.20 121.40 3hhq s ILE 77 Ca 0.15 0.87 0.03 0.00 -2.23 0.00 0.00 60.65 59.48 3hhq s ILE 77 Cb -0.07 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 3hhq s ILE 77 CO 0.19 0.33 -0.15 -1.58 -1.23 0.00 0.00 174.94 172.51 3hhq s GLN 78 N 0.63 1.70 0.12 2.79 2.00 0.79 -3.86 119.66 123.83 3hhq s GLN 78 Ca 0.24 -0.52 -0.30 0.00 -2.00 0.00 0.00 55.36 52.78 3hhq s GLN 78 Cb -0.15 -1.45 -0.07 0.00 0.80 0.00 0.00 33.01 32.15 3hhq s GLN 78 CO 0.09 0.15 1.21 0.95 -0.50 0.00 0.00 175.29 177.19 3hhq s THR 79 N 0.27 3.78 0.59 -0.34 -4.23 -1.26 0.56 115.64 115.01 3hhq s THR 79 Ca -0.08 1.37 0.10 0.00 -1.18 0.00 0.00 61.69 61.90 3hhq s THR 79 Cb -0.13 -3.87 0.09 0.00 1.34 0.00 0.00 72.50 69.93 3hhq s THR 79 CO 0.03 0.15 0.79 -0.83 -0.54 0.00 0.00 174.62 174.23 3hhq s GLY 80 N 0.66 1.74 0.00 3.99 0.00 0.31 -4.86 107.32 109.16 3hhq s GLY 80 Ca 0.57 -2.14 0.00 0.00 0.00 0.00 0.00 44.72 43.14 3hhq s GLY 80 CO 0.32 -1.72 0.00 0.00 0.00 0.00 0.00 173.10 171.71 3hhq n ALA 81 N -2.26 0.00 -0.24 3.20 0.00 -1.26 -4.39 120.51 115.55 3hhq n ALA 81 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 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 0.63 3.48 0.00 0.00 -1.26 -4.91 105.19 103.12 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 -2.49 4.41 -0.39 1.61 1.01 -1.26 -0.30 120.40 122.98 3hhq s VAL 83 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3hhq s VAL 83 Cb 0.00 -4.59 0.05 0.00 0.00 0.00 0.00 36.38 31.84 3hhq s VAL 83 CO 0.00 -1.27 0.23 -0.69 0.00 0.00 0.00 175.10 173.37 3hhq s VAL 84 N 3.86 4.44 0.75 2.92 1.01 -0.01 -4.99 120.40 128.39 3hhq s VAL 84 Ca 0.24 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 3hhq s VAL 84 Cb -0.16 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3hhq s VAL 84 CO 0.14 -0.35 1.23 -1.81 0.00 0.00 0.00 175.10 174.31 3hhq s ASP 85 N 1.79 3.97 0.52 3.32 -0.00 -1.26 -1.29 116.67 123.72 3hhq s ASP 85 Ca 0.02 2.42 0.20 0.00 -0.00 0.00 0.00 52.55 55.19 3hhq s ASP 85 Cb -0.21 -2.60 1.31 0.00 -0.00 0.00 0.00 42.92 41.42 3hhq s ASP 85 CO 0.05 -2.41 2.08 -0.09 -0.00 0.00 0.00 175.17 174.80 3hhq h ARG 86 N -0.42 0.02 -0.01 8.23 2.43 -1.92 -2.46 114.38 120.25 3hhq h ARG 86 Ca -0.48 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3hhq h ARG 86 Cb 1.31 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3hhq h ARG 86 CO 0.49 0.01 -0.15 -0.40 -1.51 0.00 0.00 179.97 178.41 3hhq n ASP 87 N -4.47 1.42 -4.68 -3.80 3.85 -1.26 -4.49 116.55 103.11 3hhq n ASP 87 Ca 0.03 -1.25 -0.42 0.00 -0.71 0.00 0.00 54.79 52.43 3hhq n ASP 87 Cb 0.30 0.09 -0.03 0.00 -1.35 0.00 0.00 41.12 40.14 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 -2.26 2.78 0.00 2.11 5.04 -0.93 -4.91 117.35 119.18 3hhq s TYR 88 Ca 0.30 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.71 3hhq s TYR 88 Cb 0.20 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.84 3hhq s TYR 88 CO 0.43 -2.50 0.76 0.25 -1.34 0.00 0.00 175.55 173.15 3hhq n THR 89 N 4.78 0.57 -1.39 4.34 -2.24 -1.26 -4.64 114.28 114.44 3hhq n THR 89 Ca 0.13 -0.72 -0.29 0.00 -2.27 0.00 0.00 64.05 60.90 3hhq n THR 89 Cb 0.44 0.76 0.17 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.57 1.59 0.21 3.38 0.00 -1.26 -4.90 107.32 105.77 3hhq s GLY 90 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 44.72 43.81 3hhq s GLY 90 CO 0.00 0.04 1.60 1.85 0.00 0.00 0.00 173.10 176.59 3hhq s GLU 91 N -5.25 4.18 -0.60 2.90 2.12 -1.26 -4.55 118.70 116.25 3hhq s GLU 91 Ca 0.66 2.45 -0.25 0.00 0.36 0.00 0.00 54.97 58.19 3hhq s GLU 91 Cb -0.14 -3.11 0.04 0.00 0.26 0.00 0.00 34.13 31.18 3hhq s GLU 91 CO 0.55 -0.62 1.05 0.08 -0.54 0.00 0.00 175.26 175.78 3hhq s VAL 92 N 0.81 4.20 0.05 3.70 1.01 -0.34 -5.02 120.40 124.80 3hhq s VAL 92 Ca 0.69 0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.98 3hhq s VAL 92 Cb -0.46 -4.66 -0.05 0.00 0.00 0.00 0.00 36.38 31.22 3hhq s VAL 92 CO 0.36 -1.31 0.30 -0.54 0.00 0.00 0.00 175.10 173.90 3hhq s LYS 93 N 4.45 3.59 -0.28 2.72 1.02 -1.26 -4.04 119.74 125.95 3hhq s LYS 93 Ca 0.33 -0.09 -0.15 0.00 0.02 0.00 0.00 55.97 56.08 3hhq s LYS 93 Cb -0.11 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3hhq s LYS 93 CO 0.19 0.60 0.40 0.08 -0.92 0.00 0.00 175.35 175.70 3hhq s VAL 94 N -1.40 5.15 -0.20 3.17 1.01 -0.02 -4.86 120.40 123.24 3hhq s VAL 94 Ca 0.31 0.57 -0.26 0.00 0.00 0.00 0.00 61.98 62.60 3hhq s VAL 94 Cb -0.13 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 3hhq s VAL 94 CO 0.19 0.12 0.90 -0.69 0.00 0.00 0.00 175.10 175.62 3hhq s VAL 95 N 2.11 4.80 -0.13 2.92 1.01 -1.26 -0.15 120.40 129.71 3hhq s VAL 95 Ca 0.16 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.89 3hhq s VAL 95 Cb -0.16 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 3hhq s VAL 95 CO 0.10 -0.06 -0.15 -0.76 0.00 0.00 0.00 175.10 174.23 3hhq s LEU 96 N 2.65 2.57 -0.18 3.92 1.43 0.00 -0.53 118.68 128.54 3hhq s LEU 96 Ca 0.40 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 53.01 3hhq s LEU 96 Cb -0.16 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3hhq s LEU 96 CO 0.09 0.15 0.12 -0.36 0.23 0.00 0.00 176.35 176.58 3hhq s PHE 97 N 0.46 3.42 -0.44 0.29 0.40 0.19 -1.76 117.98 120.54 3hhq s PHE 97 Ca -0.11 0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 3hhq s PHE 97 Cb -0.16 -2.10 0.09 0.00 0.51 0.00 0.00 43.02 41.36 3hhq s PHE 97 CO 0.05 0.37 0.31 1.21 0.70 0.00 0.00 175.22 177.86 3hhq s ASN 98 N 0.06 5.79 0.00 1.36 3.84 -0.51 -0.15 114.94 125.33 3hhq s ASN 98 Ca 0.09 -1.54 0.14 0.00 0.21 0.00 0.00 52.86 51.76 3hhq s ASN 98 Cb -0.11 -2.04 0.50 0.00 -0.55 0.00 0.00 41.25 39.04 3hhq s ASN 98 CO -0.00 -0.60 1.38 1.41 -2.79 0.00 0.00 177.10 176.49 3hhq n HIS 99 N 4.99 0.31 -2.94 0.43 8.25 0.21 -1.31 115.22 125.16 3hhq n HIS 99 Ca -0.10 -0.15 -0.20 0.00 -0.26 0.00 0.00 57.72 57.00 3hhq n HIS 99 Cb 0.43 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.25 4.96 0.00 0.41 1.04 -1.25 -4.76 113.70 112.85 3hhq s SER 100 Ca 0.25 -0.73 0.26 0.00 0.48 0.00 0.00 55.95 56.20 3hhq s SER 100 Cb 0.13 0.20 0.84 0.00 0.10 0.00 0.00 66.02 67.30 3hhq s SER 100 CO 0.19 -1.43 1.62 0.00 0.98 0.00 0.00 173.24 174.59 3hhq n GLN 101 N -2.35 1.81 -4.41 4.02 1.13 -1.26 -0.83 117.38 115.48 3hhq n GLN 101 Ca 0.15 -1.19 -0.34 0.00 -1.94 0.00 0.00 57.00 53.69 3hhq n GLN 101 Cb 0.61 -1.46 -0.11 0.00 0.11 0.00 0.00 30.24 29.39 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 -1.93 3.47 0.50 -1.09 0.52 -1.26 -4.83 118.95 114.33 3hhq s ARG 102 Ca 0.35 -0.50 -0.23 0.00 -0.52 0.00 0.00 55.73 54.84 3hhq s ARG 102 Cb 0.20 -2.87 -0.06 0.00 0.52 0.00 0.00 34.95 32.74 3hhq s ARG 102 CO 0.31 0.37 1.33 -0.51 0.02 0.00 0.00 175.30 176.82 3hhq s ASP 103 N 0.03 5.63 -0.26 0.23 -0.00 -1.26 -4.07 116.67 116.97 3hhq s ASP 103 Ca 0.01 2.69 -0.03 0.00 -0.00 0.00 0.00 52.55 55.22 3hhq s ASP 103 Cb -0.13 -2.63 0.02 0.00 -0.00 0.00 0.00 42.92 40.17 3hhq s ASP 103 CO 0.03 -1.32 -0.02 0.12 -0.00 0.00 0.00 175.17 173.98 3hhq s PHE 104 N -1.33 3.08 -0.18 4.23 5.99 -0.07 -4.88 117.98 124.82 3hhq s PHE 104 Ca 0.67 -1.36 -0.21 0.00 0.00 0.00 0.00 56.93 56.03 3hhq s PHE 104 Cb -0.39 -2.12 -0.03 0.00 0.00 0.00 0.00 43.02 40.49 3hhq s PHE 104 CO 0.47 -0.67 0.63 0.00 -0.00 0.00 0.00 175.22 175.64 3hhq s ALA 105 N 1.38 3.52 -0.10 11.12 0.00 -1.26 -1.06 121.76 135.37 3hhq s ALA 105 Ca 0.01 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3hhq s ALA 105 Cb -0.17 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 3hhq s ALA 105 CO -0.02 -0.49 -0.17 0.42 0.00 0.00 0.00 175.76 175.50 3hhq s ILE 106 N 1.76 2.75 0.07 0.00 1.01 0.47 -5.01 121.20 122.26 3hhq s ILE 106 Ca 0.29 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3hhq s ILE 106 Cb -0.16 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3hhq s ILE 106 CO 0.11 0.55 0.06 -0.54 0.00 0.00 0.00 174.94 175.12 3hhq s LYS 107 N 0.09 2.84 0.14 2.79 -0.14 -1.26 -1.05 119.74 123.15 3hhq s LYS 107 Ca -0.07 -0.69 -0.34 0.00 -1.36 0.00 0.00 55.97 53.50 3hhq s LYS 107 Cb -0.15 -2.71 -0.16 0.00 -1.68 0.00 0.00 37.83 33.13 3hhq s LYS 107 CO 0.05 0.57 1.20 1.17 -0.76 0.00 0.00 175.35 177.58 3hhq n LYS 108 N 0.56 1.09 -0.10 1.68 4.81 -1.26 -0.71 118.16 124.23 3hhq n LYS 108 Ca -0.09 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 3hhq n LYS 108 Cb 0.52 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.65 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 2.14 0.73 3.76 3.14 0.00 0.12 -4.97 105.19 110.11 3hhq n GLY 109 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.72 7.52 0.10 1.61 1.01 0.11 -4.76 116.67 119.54 3hhq s ASP 110 Ca 0.00 1.81 -0.31 0.00 0.71 0.00 0.00 52.55 54.76 3hhq s ASP 110 Cb 0.00 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 3hhq s ASP 110 CO 0.00 0.16 1.54 0.00 0.21 0.00 0.00 175.17 177.08 3hhq s ARG 111 N -1.24 4.24 0.00 8.23 1.70 -1.26 -0.30 118.95 130.32 3hhq s ARG 111 Ca 0.40 2.24 0.00 0.00 -0.47 0.00 0.00 55.73 57.90 3hhq s ARG 111 Cb -0.24 -3.38 0.00 0.00 -0.57 0.00 0.00 34.95 30.75 3hhq s ARG 111 CO 0.29 -0.61 0.00 1.33 -1.08 0.00 0.00 175.30 175.23 3hhq n VAL 112 N 4.32 0.00 -3.81 4.99 0.24 0.54 -4.91 118.33 119.70 3hhq n VAL 112 Ca 0.14 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 62.17 3hhq n VAL 112 Cb 0.41 0.87 0.01 0.00 -1.47 0.00 0.00 33.84 33.66 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 -0.70 -2.13 -2.69 2.33 0.00 -1.18 -4.58 120.51 111.56 3hhq n ALA 113 Ca 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 53.44 52.62 3hhq n ALA 113 Cb 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 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 0.42 -0.24 0.00 -2.07 -0.41 -1.32 119.66 114.02 3hhq s GLN 114 Ca 0.18 -0.80 -0.07 0.00 -1.82 0.00 0.00 55.36 52.84 3hhq s GLN 114 Cb -0.02 0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 3hhq s GLN 114 CO 0.03 -0.08 0.07 -1.17 -1.32 0.00 0.00 175.29 172.83 3hhq s LEU 115 N -1.95 3.50 -0.13 2.60 2.96 0.20 -0.90 118.68 124.97 3hhq s LEU 115 Ca -0.08 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3hhq s LEU 115 Cb -0.04 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3hhq s LEU 115 CO -0.04 -0.00 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.29 3hhq s ILE 116 N 1.43 3.67 -0.92 6.68 1.01 -0.18 -0.95 121.20 131.93 3hhq s ILE 116 Ca 0.05 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 3hhq s ILE 116 Cb -0.15 -2.56 0.20 0.00 0.01 0.00 0.00 42.46 39.96 3hhq s ILE 116 CO 0.04 0.53 0.96 -0.76 0.00 0.00 0.00 174.94 175.70 3hhq s LEU 117 N 0.03 6.17 -0.09 2.97 1.43 -1.26 -0.60 118.68 127.32 3hhq s LEU 117 Ca -0.01 -2.70 -0.30 0.00 -1.03 0.00 0.00 54.13 50.09 3hhq s LEU 117 Cb -0.14 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 3hhq s LEU 117 CO 0.03 -0.66 1.07 -1.61 0.23 0.00 0.00 176.35 175.41 3hhq s GLU 118 N 0.65 4.40 0.18 1.70 0.41 -1.04 -4.90 118.70 120.10 3hhq s GLU 118 Ca 0.25 1.49 -0.30 0.00 -0.41 0.00 0.00 54.97 56.00 3hhq s GLU 118 Cb -0.08 -3.55 -0.08 0.00 -1.78 0.00 0.00 34.13 28.65 3hhq s GLU 118 CO -0.08 -0.36 1.02 0.15 -0.49 0.00 0.00 175.26 175.50 3hhq s LYS 119 N 2.08 4.69 0.12 1.61 1.02 -1.26 -1.56 119.74 126.44 3hhq s LYS 119 Ca 0.51 1.59 -0.02 0.00 0.02 0.00 0.00 55.97 58.06 3hhq s LYS 119 Cb -0.20 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 3hhq s LYS 119 CO 0.19 0.24 0.07 0.96 -0.92 0.00 0.00 175.35 175.89 3hhq s ILE 120 N -0.48 0.12 -0.49 2.17 -4.36 -0.44 -4.96 121.20 112.77 3hhq s ILE 120 Ca 0.46 -1.80 -0.23 0.00 -0.26 0.00 0.00 60.65 58.82 3hhq s ILE 120 Cb -0.27 -1.89 0.04 0.00 1.25 0.00 0.00 42.46 41.59 3hhq s ILE 120 CO 0.33 -0.56 0.82 -0.69 0.24 0.00 0.00 174.94 175.08 3hhq s VAL 121 N -4.01 4.58 -1.91 8.37 1.01 -1.26 -4.73 120.40 122.46 3hhq s VAL 121 Ca 0.19 0.26 0.17 0.00 0.00 0.00 0.00 61.98 62.60 3hhq s VAL 121 Cb 0.07 -4.40 0.08 0.00 0.00 0.00 0.00 36.38 32.13 3hhq s VAL 121 CO -0.01 -0.87 0.98 -0.90 0.00 0.00 0.00 175.10 174.29 3hhq n ASP 122 N 6.92 2.12 -0.33 3.32 3.85 -1.26 -4.51 116.55 126.66 3hhq n ASP 122 Ca 0.01 -1.56 0.08 0.00 -0.71 0.00 0.00 54.79 52.61 3hhq n ASP 122 Cb 0.48 0.20 0.17 0.00 -1.35 0.00 0.00 41.12 40.62 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 0.52 2.12 -4.71 -1.12 3.85 -1.26 -5.05 116.55 110.90 3hhq n ASP 123 Ca 0.09 -3.44 -0.42 0.00 -0.71 0.00 0.00 54.79 50.31 3hhq n ASP 123 Cb 0.40 -0.48 -0.03 0.00 -1.35 0.00 0.00 41.12 39.66 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 -3.04 3.17 0.02 2.12 0.00 -1.26 -5.00 121.76 117.77 3hhq s ALA 124 Ca 0.35 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 3hhq s ALA 124 Cb 0.32 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 3hhq s ALA 124 CO -0.01 -0.22 1.18 -1.14 0.00 0.00 0.00 175.76 175.58 3hhq s GLN 125 N 0.93 4.42 -0.10 0.00 0.74 -1.26 -5.01 119.66 119.38 3hhq s GLN 125 Ca 0.52 1.71 -0.28 0.00 0.05 0.00 0.00 55.36 57.36 3hhq s GLN 125 Cb -0.21 -3.42 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 3hhq s GLN 125 CO 0.28 -0.30 0.95 0.42 -0.55 0.00 0.00 175.29 176.09 3hhq s ILE 126 N 1.43 4.83 -0.11 -2.34 1.01 -1.26 -5.05 121.20 119.71 3hhq s ILE 126 Ca 0.57 1.94 0.02 0.00 0.00 0.00 0.00 60.65 63.19 3hhq s ILE 126 Cb -0.27 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 37.94 3hhq s ILE 126 CO 0.27 0.04 -0.19 -0.69 0.00 0.00 0.00 174.94 174.38 3hhq s VAL 127 N 1.83 1.72 -0.35 2.92 1.01 -1.26 -5.11 120.40 121.16 3hhq s VAL 127 Ca 0.46 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 3hhq s VAL 127 Cb -0.18 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3hhq s VAL 127 CO 0.18 0.48 0.61 -0.69 0.00 0.00 0.00 175.10 175.68 3hhq s VAL 128 N 0.76 4.92 0.22 2.92 1.01 -1.26 -5.07 120.40 123.90 3hhq s VAL 128 Ca -0.10 0.56 0.10 0.00 0.00 0.00 0.00 61.98 62.53 3hhq s VAL 128 Cb -0.16 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3hhq s VAL 128 CO 0.01 -0.27 -0.11 0.68 0.00 0.00 0.00 175.10 175.41 3hhq s VAL 129 N 2.63 3.02 0.10 2.92 -7.23 -1.26 -5.06 120.40 115.52 3hhq s VAL 129 Ca 0.23 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.35 3hhq s VAL 129 Cb -0.15 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 3hhq s VAL 129 CO 0.14 -0.21 1.57 0.44 -0.31 0.00 0.00 175.10 176.73 3hhq h ASP 130 N 2.64 0.52 -5.13 4.85 3.32 -2.10 -3.44 116.42 117.08 3hhq h ASP 130 Ca -0.45 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 56.19 3hhq h ASP 130 Cb 1.22 -0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.46 3hhq h ASP 130 CO 0.55 0.67 -0.61 -0.94 -1.72 0.00 0.00 179.24 177.19 3hhq s SER 131 N -5.99 0.31 0.00 6.45 1.04 -1.26 -5.37 113.70 108.88 3hhq s SER 131 Ca -0.13 -0.72 0.14 0.00 0.48 0.00 0.00 55.95 55.72 3hhq s SER 131 Cb 0.09 0.20 0.85 0.00 0.10 0.00 0.00 66.02 67.26 3hhq s SER 131 CO 0.76 -0.52 1.27 0.18 0.98 0.00 0.00 173.24 175.92