#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 3.54 -5.14 -0.67 5.02 -1.26 -4.50 118.16 115.15 3hhq n LYS 7 Ca 0.00 -4.18 -0.31 0.00 -2.02 0.00 0.00 58.31 51.80 3hhq n LYS 7 Cb 0.00 -2.28 -0.17 0.00 -0.02 0.00 0.00 35.03 32.57 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 -4.77 1.92 -0.32 -0.18 1.01 -1.26 -5.09 120.40 111.71 3hhq s VAL 8 Ca 0.51 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3hhq s VAL 8 Cb 0.41 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3hhq s VAL 8 CO -0.00 0.53 0.12 -0.22 0.00 0.00 0.00 175.10 175.53 3hhq s LEU 9 N 0.25 4.15 -0.08 3.92 2.96 -1.26 -3.95 118.68 124.67 3hhq s LEU 9 Ca -0.14 -0.83 -0.22 0.00 -0.22 0.00 0.00 54.13 52.72 3hhq s LEU 9 Cb -0.16 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3hhq s LEU 9 CO 0.07 -0.26 0.64 -0.54 -1.32 0.00 0.00 176.35 174.94 3hhq s LYS 10 N 1.51 4.41 -0.04 1.98 1.02 -1.06 -4.98 119.74 122.58 3hhq s LYS 10 Ca 0.02 0.76 0.04 0.00 0.02 0.00 0.00 55.97 56.81 3hhq s LYS 10 Cb -0.18 -3.45 -0.00 0.00 -0.52 0.00 0.00 37.83 33.68 3hhq s LYS 10 CO 0.04 0.08 -0.17 0.42 -0.92 0.00 0.00 175.35 174.80 3hhq s ILE 11 N 0.77 1.46 -0.26 2.17 1.01 -1.26 -1.83 121.20 123.26 3hhq s ILE 11 Ca 0.34 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 3hhq s ILE 11 Cb -0.17 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.08 3hhq s ILE 11 CO 0.16 0.42 -0.05 -1.58 0.00 0.00 0.00 174.94 173.89 3hhq s GLN 12 N 0.03 2.77 -0.43 2.79 0.74 -0.43 -5.01 119.66 120.13 3hhq s GLN 12 Ca -0.04 -1.02 -0.27 0.00 0.05 0.00 0.00 55.36 54.07 3hhq s GLN 12 Cb -0.12 -3.02 0.02 0.00 1.10 0.00 0.00 33.01 30.99 3hhq s GLN 12 CO 0.02 -0.44 1.02 -0.51 -0.55 0.00 0.00 175.29 174.83 3hhq s LEU 13 N 1.31 3.86 0.07 3.68 1.43 -1.26 -1.57 118.68 126.20 3hhq s LEU 13 Ca -0.01 0.45 0.26 0.00 -1.03 0.00 0.00 54.13 53.81 3hhq s LEU 13 Cb -0.17 -3.38 0.70 0.00 0.03 0.00 0.00 46.19 43.37 3hhq s LEU 13 CO -0.04 -1.06 1.59 0.54 0.23 0.00 0.00 176.35 177.61 3hhq n ARG 14 N 7.29 0.13 -3.92 1.70 1.74 0.66 -4.93 116.66 119.32 3hhq n ARG 14 Ca 0.09 0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 57.12 3hhq n ARG 14 Cb 0.48 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 -3.63 0.40 0.00 0.55 1.04 -1.26 -5.03 113.70 105.78 3hhq s SER 15 Ca 0.10 -1.30 0.29 0.00 0.48 0.00 0.00 55.95 55.53 3hhq s SER 15 Cb 0.16 0.78 1.30 0.00 0.10 0.00 0.00 66.02 68.36 3hhq s SER 15 CO 0.64 -1.54 1.90 0.00 0.98 0.00 0.00 173.24 175.23 3hhq n ALA 16 N -0.55 2.72 0.03 5.32 0.00 -1.26 -3.42 120.51 123.35 3hhq n ALA 16 Ca -0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 3hhq n ALA 16 Cb 0.61 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 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 0.57 0.00 -3.41 0.00 0.02 -1.95 -3.47 113.55 105.31 3hhq h SER 17 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3hhq h SER 17 Cb 0.33 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.04 3hhq h SER 17 CO 0.00 0.90 -0.05 0.00 -1.14 0.00 0.00 176.83 176.54 3hhq n ALA 18 N -2.44 -0.32 -2.74 3.77 0.00 -1.22 -4.49 120.51 113.07 3hhq n ALA 18 Ca -0.09 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 3hhq n ALA 18 Cb 0.96 -2.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.23 3hhq n ALA 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hhq s THR 19 N -1.62 2.07 0.14 0.00 2.01 -1.26 -5.02 115.64 111.96 3hhq s THR 19 Ca 0.74 -1.06 -0.33 0.00 0.31 0.00 0.00 61.69 61.35 3hhq s THR 19 Cb -0.41 -1.75 -0.13 0.00 0.01 0.00 0.00 72.50 70.23 3hhq s THR 19 CO 0.49 0.57 1.69 0.55 -0.69 0.00 0.00 174.62 177.24 3hhq n VAL 20 N 2.95 0.13 -1.55 3.82 3.14 -1.26 -4.65 118.33 120.92 3hhq n VAL 20 Ca -0.17 -0.02 -0.52 0.00 -2.96 0.00 0.00 64.34 60.66 3hhq n VAL 20 Cb 0.52 -1.78 -0.05 0.00 -1.06 0.00 0.00 33.84 31.46 3hhq n VAL 20 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3hhq n PRO 21 N 4.29 0.80 -4.42 1.45 -0.02 -1.26 -4.95 135.00 130.89 3hhq n PRO 21 Ca 0.18 0.29 -0.21 0.00 -2.02 0.00 0.00 63.50 61.73 3hhq n PRO 21 Cb 0.32 -1.79 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.00 1.26 0.38 3.45 -4.23 -1.12 -4.87 115.64 110.50 3hhq s THR 22 Ca 0.80 -1.06 -0.24 0.00 -1.18 0.00 0.00 61.69 60.01 3hhq s THR 22 Cb -0.99 -1.13 -0.10 0.00 1.34 0.00 0.00 72.50 71.62 3hhq s THR 22 CO 0.52 0.05 0.96 -0.54 -0.54 0.00 0.00 174.62 175.07 3hhq s LYS 23 N -1.16 4.39 -0.06 3.99 1.02 -1.26 0.20 119.74 126.86 3hhq s LYS 23 Ca 0.03 1.25 0.12 0.00 0.02 0.00 0.00 55.97 57.39 3hhq s LYS 23 Cb -0.08 -2.51 -0.23 0.00 -0.52 0.00 0.00 37.83 34.49 3hhq s LYS 23 CO 0.01 0.11 0.59 0.41 -0.92 0.00 0.00 175.35 175.55 3hhq n GLY 24 N 0.02 -0.97 3.30 -3.33 0.00 -1.26 -4.93 105.19 98.02 3hhq n GLY 24 Ca 0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 -6.11 1.12 0.43 1.61 1.04 -1.26 -5.06 113.70 105.47 3hhq s SER 25 Ca -0.06 -1.46 0.24 0.00 0.48 0.00 0.00 55.95 55.14 3hhq s SER 25 Cb 0.08 0.31 0.71 0.00 0.10 0.00 0.00 66.02 67.22 3hhq s SER 25 CO 0.82 -0.82 1.74 0.00 0.98 0.00 0.00 173.24 175.95 3hhq h ALA 26 N 2.36 0.95 -0.17 5.32 0.00 -2.01 -3.18 119.26 122.52 3hhq h ALA 26 Ca -0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hhq h ALA 26 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hhq h ALA 26 CO 0.55 0.22 0.00 2.41 0.00 0.00 0.00 179.25 182.43 3hhq n THR 27 N -3.23 0.27 -1.74 0.00 -1.04 -1.26 -4.99 114.28 102.29 3hhq n THR 27 Ca 0.01 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.05 60.97 3hhq n THR 27 Cb 0.49 1.14 -0.00 0.00 -1.82 0.00 0.00 70.33 70.14 3hhq n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hhq n ALA 28 N 1.07 1.88 -0.23 2.41 0.00 -1.20 -4.93 120.51 119.50 3hhq n ALA 28 Ca 0.13 0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.89 3hhq n ALA 28 Cb 0.48 -2.35 0.15 0.00 0.00 0.00 0.00 19.45 17.73 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 2.93 1.21 -2.12 0.00 0.00 -1.94 -3.47 119.26 115.86 3hhq h ALA 29 Ca -0.48 -0.16 -0.44 0.00 0.00 0.00 0.00 54.91 53.83 3hhq h ALA 29 Cb 1.26 -0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 3hhq h ALA 29 CO 0.65 0.60 -0.66 0.20 0.00 0.00 0.00 179.25 180.04 3hhq s GLY 30 N -3.43 1.74 -0.14 0.00 0.00 -1.26 -4.42 107.32 99.81 3hhq s GLY 30 Ca -0.11 -1.87 -0.12 0.00 0.00 0.00 0.00 44.72 42.62 3hhq s GLY 30 CO 0.81 -1.76 0.24 -0.19 0.00 0.00 0.00 173.10 172.21 3hhq s TYR 31 N -3.24 3.51 0.32 1.90 1.51 0.37 -4.52 117.35 117.20 3hhq s TYR 31 Ca 0.30 0.57 -0.29 0.00 -1.01 0.00 0.00 57.07 56.64 3hhq s TYR 31 Cb 0.05 -2.21 -0.10 0.00 -0.11 0.00 0.00 41.96 39.59 3hhq s TYR 31 CO 0.11 0.40 1.35 -0.51 -1.11 0.00 0.00 175.55 175.79 3hhq s ASP 32 N -0.06 6.71 -0.15 2.29 1.01 0.13 0.27 116.67 126.88 3hhq s ASP 32 Ca 0.15 2.71 -0.04 0.00 0.71 0.00 0.00 52.55 56.08 3hhq s ASP 32 Cb -0.13 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 3hhq s ASP 32 CO 0.04 -0.59 -0.02 -0.63 0.21 0.00 0.00 175.17 174.17 3hhq s ILE 33 N -0.91 4.05 -0.09 0.77 -1.09 0.12 -2.81 121.20 121.25 3hhq s ILE 33 Ca 0.51 -0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 58.61 3hhq s ILE 33 Cb -0.41 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.66 3hhq s ILE 33 CO 0.52 0.50 -0.00 -0.31 -1.23 0.00 0.00 174.94 174.41 3hhq s TYR 34 N 0.25 3.14 0.30 3.97 2.02 -1.26 0.44 117.35 126.21 3hhq s TYR 34 Ca -0.02 0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.54 3hhq s TYR 34 Cb -0.14 -1.80 -0.11 0.00 -0.40 0.00 0.00 41.96 39.51 3hhq s TYR 34 CO 0.02 0.43 1.59 0.00 -1.57 0.00 0.00 175.55 176.02 3hhq s ALA 35 N -0.78 3.74 -1.74 3.71 0.00 0.07 -4.58 121.76 122.18 3hhq s ALA 35 Ca 0.12 1.59 0.19 0.00 0.00 0.00 0.00 51.96 53.86 3hhq s ALA 35 Cb -0.11 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 3hhq s ALA 35 CO 0.02 -1.01 0.97 -1.13 0.00 0.00 0.00 175.76 174.61 3hhq n SER 36 N 1.99 1.80 -3.75 0.00 3.41 -0.13 0.46 113.62 117.41 3hhq n SER 36 Ca 0.07 -1.40 -0.13 0.00 -0.26 0.00 0.00 58.87 57.15 3hhq n SER 36 Cb 0.37 0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 64.72 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 -2.23 0.49 0.50 4.33 0.74 -1.25 -4.72 119.66 117.52 3hhq s GLN 37 Ca 0.16 0.33 -0.23 0.00 0.05 0.00 0.00 55.36 55.66 3hhq s GLN 37 Cb 0.16 0.23 -0.07 0.00 1.10 0.00 0.00 33.01 34.43 3hhq s GLN 37 CO 0.50 -0.09 1.38 -0.51 -0.55 0.00 0.00 175.29 176.02 3hhq s ASP 38 N -0.19 5.61 -0.06 6.67 1.01 -1.26 -4.18 116.67 124.26 3hhq s ASP 38 Ca -0.03 2.80 -0.29 0.00 0.71 0.00 0.00 52.55 55.74 3hhq s ASP 38 Cb -0.03 -2.64 0.10 0.00 1.01 0.00 0.00 42.92 41.35 3hhq s ASP 38 CO 0.02 -1.35 0.82 -0.51 0.21 0.00 0.00 175.17 174.36 3hhq s ILE 39 N -1.27 0.00 -0.11 0.77 2.07 0.21 -4.95 121.20 117.92 3hhq s ILE 39 Ca 0.66 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.91 3hhq s ILE 39 Cb -0.41 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.16 3hhq s ILE 39 CO 0.51 0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.52 3hhq s THR 40 N -1.77 3.15 -0.39 4.00 2.01 -1.26 0.33 115.64 121.71 3hhq s THR 40 Ca -0.04 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 3hhq s THR 40 Cb -0.00 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.21 3hhq s THR 40 CO 0.01 0.54 0.60 -0.63 -0.69 0.00 0.00 174.62 174.46 3hhq s ILE 41 N 0.05 4.90 0.49 1.82 -1.09 0.02 -4.82 121.20 122.56 3hhq s ILE 41 Ca -0.04 0.28 -0.23 0.00 -2.23 0.00 0.00 60.65 58.43 3hhq s ILE 41 Cb -0.14 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 36.56 3hhq s ILE 41 CO 0.04 -0.42 1.25 -2.84 -1.23 0.00 0.00 174.94 171.74 3hhq s PRO 42 N 2.67 3.55 0.32 2.79 0.02 -1.26 -1.17 135.00 141.92 3hhq s PRO 42 Ca 0.22 1.98 -0.27 0.00 0.02 0.00 0.00 61.00 62.95 3hhq s PRO 42 Cb -0.15 -2.39 -0.13 0.00 0.02 0.00 0.00 34.50 31.85 3hhq s PRO 42 CO 0.16 -0.78 0.99 0.00 -0.33 0.00 0.00 177.00 177.04 3hhq n ALA 43 N -0.62 -0.18 -4.12 -1.55 0.00 -1.26 -1.33 120.51 111.44 3hhq n ALA 43 Ca 0.08 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 3hhq n ALA 43 Cb 0.46 -2.02 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 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 0.62 -3.71 -0.89 0.00 2.81 -0.17 -4.89 117.12 110.89 3hhq n MET 44 Ca 0.09 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 3hhq n MET 44 Cb 0.34 -5.20 0.00 0.00 -0.71 0.00 0.00 33.22 27.65 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 -1.44 4.49 3.24 3.03 0.00 -0.44 -4.98 105.19 109.08 3hhq n GLY 45 Ca 0.07 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.39 0.87 0.14 1.61 -2.07 -1.26 -1.69 119.66 116.88 3hhq s GLN 46 Ca 0.00 -0.80 -0.09 0.00 -1.82 0.00 0.00 55.36 52.65 3hhq s GLN 46 Cb 0.00 0.37 -0.00 0.00 -1.09 0.00 0.00 33.01 32.28 3hhq s GLN 46 CO 0.00 -0.29 0.26 0.20 -1.32 0.00 0.00 175.29 174.13 3hhq s GLY 47 N -2.64 0.31 -0.21 2.60 0.00 -0.61 -4.55 107.32 102.23 3hhq s GLY 47 Ca 0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.96 3hhq s GLY 47 CO -0.09 -0.80 -0.09 1.06 0.00 0.00 0.00 173.10 173.18 3hhq s MET 48 N -3.92 3.20 -0.19 2.90 -1.94 -1.26 -1.84 119.30 116.25 3hhq s MET 48 Ca 0.12 -0.73 -0.18 0.00 -1.71 0.00 0.00 55.69 53.19 3hhq s MET 48 Cb 0.04 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.96 3hhq s MET 48 CO -0.04 -0.23 0.50 0.08 -0.01 0.00 0.00 175.02 175.31 3hhq s VAL 49 N 1.41 5.13 0.22 -6.03 1.01 0.83 -4.87 120.40 118.10 3hhq s VAL 49 Ca 0.05 0.92 -0.27 0.00 0.00 0.00 0.00 61.98 62.69 3hhq s VAL 49 Cb -0.14 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3hhq s VAL 49 CO -0.06 0.21 0.86 -0.94 0.00 0.00 0.00 175.10 175.17 3hhq s SER 50 N 1.05 7.45 -0.01 3.32 1.04 -1.26 -0.45 113.70 124.85 3hhq s SER 50 Ca 0.24 1.77 0.01 0.00 0.48 0.00 0.00 55.95 58.45 3hhq s SER 50 Cb -0.15 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 3hhq s SER 50 CO 0.10 0.14 0.02 0.35 0.98 0.00 0.00 173.24 174.82 3hhq n THR 51 N 1.34 0.04 -2.45 2.02 -2.24 -1.26 -0.95 114.28 110.77 3hhq n THR 51 Ca -0.03 -0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 3hhq n THR 51 Cb 0.48 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 -4.47 -4.56 3.42 8.00 -1.26 -4.17 116.55 111.73 3hhq n ASP 52 Ca -0.01 0.12 -0.27 0.00 0.71 0.00 0.00 54.79 55.35 3hhq n ASP 52 Cb 0.26 -3.77 -0.09 0.00 -0.02 0.00 0.00 41.12 37.50 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 -2.74 3.15 0.16 0.53 -4.36 -1.26 -0.25 121.20 116.44 3hhq s ILE 53 Ca 0.01 -1.69 0.09 0.00 -0.26 0.00 0.00 60.65 58.80 3hhq s ILE 53 Cb -0.00 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 3hhq s ILE 53 CO 0.01 -0.12 -0.19 -0.44 0.24 0.00 0.00 174.94 174.44 3hhq s SER 54 N -2.85 2.78 0.09 4.36 0.01 -0.61 -1.06 113.70 116.43 3hhq s SER 54 Ca 0.25 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.56 3hhq s SER 54 Cb -0.09 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.98 3hhq s SER 54 CO 0.15 -0.01 0.22 0.72 0.41 0.00 0.00 173.24 174.74 3hhq s PHE 55 N -1.93 0.09 -0.19 2.43 -0.71 -1.26 -1.31 117.98 115.09 3hhq s PHE 55 Ca 0.16 -0.50 0.01 0.00 -1.04 0.00 0.00 56.93 55.56 3hhq s PHE 55 Cb -0.06 -0.01 0.03 0.00 -1.21 0.00 0.00 43.02 41.77 3hhq s PHE 55 CO 0.07 -0.57 -0.17 0.99 -1.34 0.00 0.00 175.22 174.20 3hhq s THR 56 N -3.85 2.03 0.58 -4.49 2.01 -0.76 -4.73 115.64 106.44 3hhq s THR 56 Ca 0.05 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.86 3hhq s THR 56 Cb 0.04 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 3hhq s THR 56 CO -0.11 0.41 1.01 0.68 -0.69 0.00 0.00 174.62 175.91 3hhq s VAL 57 N 1.27 4.67 0.78 3.82 -7.23 -1.26 -2.55 120.40 119.90 3hhq s VAL 57 Ca 0.02 0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 60.99 3hhq s VAL 57 Cb -0.14 -3.83 0.06 0.00 0.56 0.00 0.00 36.38 33.03 3hhq s VAL 57 CO -0.11 -1.01 1.20 -2.65 -0.31 0.00 0.00 175.10 172.22 3hhq n PRO 58 N -2.40 0.34 -1.68 4.82 -0.02 -1.25 -4.93 135.00 129.88 3hhq n PRO 58 Ca 0.06 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 3hhq n PRO 58 Cb 0.54 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 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 -3.04 1.92 -1.00 -1.45 0.31 -1.26 -2.13 118.33 111.68 3hhq n VAL 59 Ca 0.14 -0.48 -0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3hhq n VAL 59 Cb 0.50 -1.48 -0.00 0.00 -0.91 0.00 0.00 33.84 31.95 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 0.93 0.47 3.45 2.92 0.00 -1.26 -4.97 105.19 106.73 3hhq n GLY 60 Ca 0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 1.05 0.21 2.61 -4.23 -0.90 -1.37 115.64 111.00 3hhq s THR 61 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3hhq s THR 61 Cb 0.00 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 3hhq s THR 61 CO 0.00 0.00 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.35 3hhq s TYR 62 N -3.33 1.43 -0.32 3.99 1.13 -0.69 -4.61 117.35 114.95 3hhq s TYR 62 Ca 0.35 -0.94 -0.20 0.00 -1.41 0.00 0.00 57.07 54.87 3hhq s TYR 62 Cb 0.08 -0.81 -0.01 0.00 -1.10 0.00 0.00 41.96 40.12 3hhq s TYR 62 CO 0.15 -0.08 0.62 0.20 -2.51 0.00 0.00 175.55 173.93 3hhq s GLY 63 N -3.25 1.77 -0.22 5.49 0.00 0.01 -2.14 107.32 108.98 3hhq s GLY 63 Ca 0.26 -0.74 -0.14 0.00 0.00 0.00 0.00 44.72 44.11 3hhq s GLY 63 CO 0.07 1.45 0.30 -1.60 0.00 0.00 0.00 173.10 173.32 3hhq s ARG 64 N 2.63 4.13 -0.51 2.90 3.52 -0.61 -0.22 118.95 130.80 3hhq s ARG 64 Ca 0.24 0.01 -0.24 0.00 -0.13 0.00 0.00 55.73 55.62 3hhq s ARG 64 Cb -0.15 -3.54 0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3hhq s ARG 64 CO 0.13 0.00 0.86 0.42 -0.81 0.00 0.00 175.30 175.90 3hhq s ILE 65 N 1.21 4.52 0.18 4.11 1.09 0.05 -1.41 121.20 130.95 3hhq s ILE 65 Ca 0.14 0.31 0.07 0.00 -1.10 0.00 0.00 60.65 60.07 3hhq s ILE 65 Cb -0.14 -4.44 -0.04 0.00 -1.06 0.00 0.00 42.46 36.78 3hhq s ILE 65 CO 0.07 -0.93 0.04 0.00 -0.10 0.00 0.00 174.94 174.01 3hhq s ALA 66 N 3.61 3.31 0.39 9.38 0.00 0.76 -4.68 121.76 134.52 3hhq s ALA 66 Ca 0.30 -1.34 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 3hhq s ALA 66 Cb -0.13 -1.09 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 3hhq s ALA 66 CO 0.20 0.47 1.01 -1.25 0.00 0.00 0.00 175.76 176.20 3hhq s PRO 67 N -3.04 4.26 0.03 0.00 0.04 -1.26 -0.68 135.00 134.35 3hhq s PRO 67 Ca 0.29 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 3hhq s PRO 67 Cb -0.09 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 3hhq s PRO 67 CO 0.20 -0.04 1.17 1.03 0.04 0.00 0.00 177.00 179.40 3hhq s ARG 68 N -2.50 4.43 0.15 4.56 0.52 -1.26 -4.68 118.95 120.17 3hhq s ARG 68 Ca 0.57 1.71 -0.17 0.00 -0.52 0.00 0.00 55.73 57.32 3hhq s ARG 68 Cb -0.20 -3.41 0.04 0.00 0.52 0.00 0.00 34.95 31.91 3hhq s ARG 68 CO 0.25 -0.27 1.75 0.77 0.02 0.00 0.00 175.30 177.81 3hhq h SER 69 N 6.94 0.10 -0.91 0.23 0.02 -1.96 -2.96 113.55 115.00 3hhq h SER 69 Ca -0.40 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 3hhq h SER 69 Cb 1.20 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 3hhq h SER 69 CO 0.82 0.09 0.60 1.23 -1.14 0.00 0.00 176.83 178.43 3hhq h GLY 70 N 0.23 1.31 1.98 -3.77 0.00 -1.99 -1.15 103.07 99.69 3hhq h GLY 70 Ca 0.15 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3hhq h GLY 70 CO -0.16 0.42 -0.27 1.41 0.00 0.00 0.00 176.54 177.95 3hhq h LEU 71 N 1.19 0.02 0.24 3.11 3.38 -1.88 0.84 115.31 122.21 3hhq h LEU 71 Ca 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 3hhq h LEU 71 Cb -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hhq h LEU 71 CO -0.10 0.29 -0.12 0.00 0.09 0.00 0.00 178.44 178.61 3hhq h ALA 72 N 1.71 -0.32 -0.23 1.53 0.00 -1.23 -0.59 119.26 120.12 3hhq h ALA 72 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3hhq h ALA 72 Cb 0.49 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hhq h ALA 72 CO 0.04 -0.59 -0.04 0.28 0.00 0.00 0.00 179.25 178.93 3hhq h VAL 73 N -0.51 1.28 0.00 0.00 2.07 -1.07 -1.12 116.25 116.89 3hhq h VAL 73 Ca -0.03 -1.02 -0.15 0.00 0.82 0.00 0.00 66.70 66.31 3hhq h VAL 73 Cb 0.38 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3hhq h VAL 73 CO 0.05 0.32 -1.54 0.29 0.02 0.00 0.00 177.57 176.71 3hhq n LYS 74 N -4.60 0.63 0.00 1.57 4.76 0.27 -4.49 118.16 116.31 3hhq n LYS 74 Ca -0.04 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3hhq n LYS 74 Cb 0.28 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 3hhq n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hhq n ASN 75 N -2.78 0.18 -0.07 4.39 3.02 -0.30 -5.02 115.26 114.67 3hhq n ASN 75 Ca -0.11 -0.51 -0.01 0.00 -0.03 0.00 0.00 54.58 53.92 3hhq n ASN 75 Cb 0.81 0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 40.51 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 0.53 0.44 3.69 7.41 0.00 -0.42 -4.42 105.19 112.41 3hhq n GLY 76 Ca 0.00 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.03 5.04 -0.04 -0.61 -1.09 -0.91 -0.84 121.20 120.72 3hhq s ILE 77 Ca 0.00 1.28 0.06 0.00 -2.23 0.00 0.00 60.65 59.76 3hhq s ILE 77 Cb 0.00 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.89 3hhq s ILE 77 CO 0.00 0.18 -0.22 -1.58 -1.23 0.00 0.00 174.94 172.09 3hhq s GLN 78 N 1.41 2.11 0.31 2.79 2.00 -0.01 -3.54 119.66 124.73 3hhq s GLN 78 Ca 0.32 -0.79 -0.28 0.00 -2.00 0.00 0.00 55.36 52.61 3hhq s GLN 78 Cb -0.16 -1.87 -0.09 0.00 0.80 0.00 0.00 33.01 31.68 3hhq s GLN 78 CO 0.13 0.37 1.07 0.95 -0.50 0.00 0.00 175.29 177.31 3hhq s THR 79 N -0.22 3.60 0.36 -0.34 -4.23 -1.26 -0.57 115.64 112.98 3hhq s THR 79 Ca 0.00 1.50 0.06 0.00 -1.18 0.00 0.00 61.69 62.07 3hhq s THR 79 Cb -0.12 -3.92 0.06 0.00 1.34 0.00 0.00 72.50 69.86 3hhq s THR 79 CO 0.02 0.28 0.48 0.61 -0.54 0.00 0.00 174.62 175.47 3hhq n GLY 80 N 1.00 2.00 7.00 3.99 0.00 0.15 -4.83 105.19 114.50 3hhq n GLY 80 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3hhq n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhq n ALA 81 N -2.57 0.00 -0.01 4.61 0.00 -1.26 -4.46 120.51 116.82 3hhq n ALA 81 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3hhq n ALA 81 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 0.26 3.46 0.00 0.00 -1.26 -4.91 105.19 102.74 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 -2.09 4.91 -0.43 1.61 1.01 -1.26 -0.77 120.40 123.38 3hhq s VAL 83 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 3hhq s VAL 83 Cb 0.00 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 32.22 3hhq s VAL 83 CO 0.00 -0.70 0.30 -0.69 0.00 0.00 0.00 175.10 174.00 3hhq s VAL 84 N 2.55 4.48 0.73 2.92 1.01 0.70 -5.00 120.40 127.79 3hhq s VAL 84 Ca 0.15 -1.32 -0.14 0.00 0.00 0.00 0.00 61.98 60.67 3hhq s VAL 84 Cb -0.18 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hhq s VAL 84 CO 0.13 -0.53 1.17 -1.81 0.00 0.00 0.00 175.10 174.06 3hhq s ASP 85 N 2.25 4.33 0.57 3.32 1.11 -1.26 -0.81 116.67 126.19 3hhq s ASP 85 Ca 0.03 2.22 0.32 0.00 0.18 0.00 0.00 52.55 55.30 3hhq s ASP 85 Cb -0.23 -2.57 1.75 0.00 1.07 0.00 0.00 42.92 42.94 3hhq s ASP 85 CO 0.03 -2.16 2.19 -0.09 1.18 0.00 0.00 175.17 176.32 3hhq h ARG 86 N -0.39 0.00 -0.48 8.23 2.43 -1.92 -1.70 114.38 120.55 3hhq h ARG 86 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3hhq h ARG 86 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3hhq h ARG 86 CO 0.50 0.05 0.00 -0.40 -1.51 0.00 0.00 179.97 178.61 3hhq n ASP 87 N -3.58 3.49 -4.64 -3.80 3.85 -1.26 -4.48 116.55 106.13 3hhq n ASP 87 Ca -0.02 -1.97 -0.43 0.00 -0.71 0.00 0.00 54.79 51.66 3hhq n ASP 87 Cb 0.16 -0.32 -0.02 0.00 -1.35 0.00 0.00 41.12 39.59 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 -1.22 2.75 -0.90 2.11 5.04 -0.64 -4.88 117.35 119.61 3hhq s TYR 88 Ca 0.39 0.92 0.13 0.00 -2.44 0.00 0.00 57.07 56.07 3hhq s TYR 88 Cb 0.21 -3.82 -0.08 0.00 0.35 0.00 0.00 41.96 38.63 3hhq s TYR 88 CO 0.29 -1.64 0.64 0.25 -1.34 0.00 0.00 175.55 173.76 3hhq n THR 89 N 6.04 0.00 -0.83 4.34 -2.24 -1.26 -4.52 114.28 115.81 3hhq n THR 89 Ca 0.14 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 3hhq n THR 89 Cb 0.46 1.07 0.20 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.95 1.60 0.29 3.38 0.00 -1.26 -4.86 107.32 104.51 3hhq s GLY 90 Ca 0.08 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 3hhq s GLY 90 CO 0.44 0.59 1.52 1.85 0.00 0.00 0.00 173.10 177.50 3hhq s GLU 91 N -4.68 4.18 -0.69 2.90 2.12 -1.26 -4.57 118.70 116.68 3hhq s GLU 91 Ca 0.66 2.47 -0.18 0.00 0.36 0.00 0.00 54.97 58.28 3hhq s GLU 91 Cb -0.22 -3.05 0.13 0.00 0.26 0.00 0.00 34.13 31.25 3hhq s GLU 91 CO 0.60 -0.53 0.80 0.08 -0.54 0.00 0.00 175.26 175.67 3hhq s VAL 92 N -0.17 4.91 0.36 3.70 1.01 -0.23 -5.00 120.40 124.98 3hhq s VAL 92 Ca 0.60 -1.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 3hhq s VAL 92 Cb -0.45 -4.55 -0.08 0.00 0.00 0.00 0.00 36.38 31.30 3hhq s VAL 92 CO 0.48 -1.20 0.77 -0.54 0.00 0.00 0.00 175.10 174.61 3hhq s LYS 93 N 2.34 3.94 -0.23 2.72 1.02 -1.26 -4.34 119.74 123.92 3hhq s LYS 93 Ca 0.17 0.64 -0.08 0.00 0.02 0.00 0.00 55.97 56.71 3hhq s LYS 93 Cb -0.18 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 3hhq s LYS 93 CO 0.01 0.06 0.10 0.08 -0.92 0.00 0.00 175.35 174.68 3hhq s VAL 94 N -2.15 4.77 -0.22 3.17 1.01 0.41 -4.88 120.40 122.50 3hhq s VAL 94 Ca 0.54 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 3hhq s VAL 94 Cb -0.10 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3hhq s VAL 94 CO 0.22 0.36 0.85 -0.69 0.00 0.00 0.00 175.10 175.85 3hhq s VAL 95 N 1.16 4.83 -0.12 2.92 1.01 -1.26 -0.12 120.40 128.82 3hhq s VAL 95 Ca 0.05 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.70 3hhq s VAL 95 Cb -0.14 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 3hhq s VAL 95 CO 0.04 -0.06 -0.21 -0.76 0.00 0.00 0.00 175.10 174.12 3hhq s LEU 96 N 2.68 2.26 -0.20 3.92 1.43 -0.77 0.31 118.68 128.31 3hhq s LEU 96 Ca 0.37 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 3hhq s LEU 96 Cb -0.16 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3hhq s LEU 96 CO 0.09 0.14 0.14 -0.36 0.23 0.00 0.00 176.35 176.59 3hhq s PHE 97 N 0.45 3.41 -0.38 0.29 0.40 0.27 -1.57 117.98 120.86 3hhq s PHE 97 Ca -0.15 0.34 -0.09 0.00 -0.60 0.00 0.00 56.93 56.44 3hhq s PHE 97 Cb -0.17 -2.17 0.05 0.00 0.51 0.00 0.00 43.02 41.24 3hhq s PHE 97 CO 0.06 0.29 0.19 1.21 0.70 0.00 0.00 175.22 177.67 3hhq s ASN 98 N 0.35 5.57 -0.16 1.36 3.84 -0.68 -0.83 114.94 124.39 3hhq s ASN 98 Ca 0.08 -1.20 0.12 0.00 0.21 0.00 0.00 52.86 52.07 3hhq s ASN 98 Cb -0.11 -1.96 0.63 0.00 -0.55 0.00 0.00 41.25 39.26 3hhq s ASN 98 CO -0.02 -0.41 1.47 1.41 -2.79 0.00 0.00 177.10 176.76 3hhq n HIS 99 N 4.91 1.52 -4.24 0.43 8.25 -0.02 -1.05 115.22 125.02 3hhq n HIS 99 Ca -0.11 -0.54 -0.23 0.00 -0.26 0.00 0.00 57.72 56.57 3hhq n HIS 99 Cb 0.45 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.66 4.57 0.00 0.41 1.04 -1.26 -4.79 113.70 113.01 3hhq s SER 100 Ca 0.42 -0.70 0.20 0.00 0.48 0.00 0.00 55.95 56.35 3hhq s SER 100 Cb 0.31 -0.80 1.01 0.00 0.10 0.00 0.00 66.02 66.63 3hhq s SER 100 CO 0.14 -0.10 1.61 0.00 0.98 0.00 0.00 173.24 175.87 3hhq n GLN 101 N -0.97 0.31 -4.73 4.02 1.13 -1.26 -1.00 117.38 114.88 3hhq n GLN 101 Ca -0.05 0.09 -0.33 0.00 -1.94 0.00 0.00 57.00 54.77 3hhq n GLN 101 Cb 0.60 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.52 3.20 0.50 -1.09 0.52 -1.26 -4.82 118.95 113.48 3hhq s ARG 102 Ca 0.19 -0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 54.53 3hhq s ARG 102 Cb 0.13 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.91 3hhq s ARG 102 CO 0.29 0.34 1.29 -0.25 0.02 0.00 0.00 175.30 176.99 3hhq n ASP 103 N 3.16 2.48 -4.19 0.23 10.43 -1.26 -4.12 116.55 123.28 3hhq n ASP 103 Ca -0.18 1.02 -0.36 0.00 2.57 0.00 0.00 54.79 57.84 3hhq n ASP 103 Cb 0.53 -1.53 -0.13 0.00 1.84 0.00 0.00 41.12 41.83 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 -1.27 3.30 -0.05 1.24 5.99 -0.31 -4.92 117.98 121.97 3hhq s PHE 104 Ca 0.67 -1.83 -0.23 0.00 0.00 0.00 0.00 56.93 55.54 3hhq s PHE 104 Cb -0.45 -2.30 -0.04 0.00 0.00 0.00 0.00 43.02 40.23 3hhq s PHE 104 CO 0.53 -0.81 0.67 0.00 -0.00 0.00 0.00 175.22 175.61 3hhq s ALA 105 N 1.28 3.38 -0.12 11.12 0.00 -1.26 -0.80 121.76 135.35 3hhq s ALA 105 Ca -0.03 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3hhq s ALA 105 Cb -0.20 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3hhq s ALA 105 CO -0.01 -0.03 -0.22 0.42 0.00 0.00 0.00 175.76 175.92 3hhq s ILE 106 N 0.52 2.16 0.09 0.00 1.01 0.15 -5.00 121.20 120.13 3hhq s ILE 106 Ca 0.36 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.06 3hhq s ILE 106 Cb -0.18 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3hhq s ILE 106 CO 0.18 0.55 0.17 -0.54 0.00 0.00 0.00 174.94 175.30 3hhq s LYS 107 N 0.55 3.19 0.06 2.79 -0.14 -1.26 -0.62 119.74 124.31 3hhq s LYS 107 Ca -0.13 -0.59 -0.38 0.00 -1.36 0.00 0.00 55.97 53.51 3hhq s LYS 107 Cb -0.17 -2.88 -0.18 0.00 -1.68 0.00 0.00 37.83 32.93 3hhq s LYS 107 CO 0.04 0.57 1.28 1.17 -0.76 0.00 0.00 175.35 177.65 3hhq n LYS 108 N 0.16 0.87 -0.18 1.68 0.00 -1.26 -1.32 118.16 118.11 3hhq n LYS 108 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 58.31 58.55 3hhq n LYS 108 Cb 0.52 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.63 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 2.29 1.23 3.77 3.14 0.00 0.17 -4.97 105.19 110.83 3hhq n GLY 109 Ca 0.19 0.00 -0.38 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 -3.00 6.63 0.05 1.61 1.01 -0.44 -4.77 116.67 117.77 3hhq s ASP 110 Ca 0.00 2.32 -0.30 0.00 0.71 0.00 0.00 52.55 55.28 3hhq s ASP 110 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 3hhq s ASP 110 CO 0.00 -0.60 1.12 -0.13 0.21 0.00 0.00 175.17 175.77 3hhq s ARG 111 N -2.22 4.49 0.00 8.23 0.52 -1.26 -0.75 118.95 127.97 3hhq s ARG 111 Ca 0.56 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 3hhq s ARG 111 Cb -0.30 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.79 3hhq s ARG 111 CO 0.38 -0.16 0.03 1.33 0.02 0.00 0.00 175.30 176.91 3hhq n VAL 112 N 3.77 0.00 -3.69 3.52 0.24 0.17 -4.94 118.33 117.40 3hhq n VAL 112 Ca 0.07 -0.38 0.03 0.00 -2.04 0.00 0.00 64.34 62.02 3hhq n VAL 112 Cb 0.48 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 3hhq n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhq s ALA 113 N -0.69 -2.41 0.06 2.33 0.00 -1.23 -4.67 121.76 115.15 3hhq s ALA 113 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.64 3hhq s ALA 113 Cb 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3hhq s ALA 113 CO 0.00 -1.08 -0.15 1.14 0.00 0.00 0.00 175.76 175.67 3hhq s GLN 114 N -2.19 0.90 -0.25 0.00 -2.07 0.15 -0.70 119.66 115.50 3hhq s GLN 114 Ca 0.18 -0.86 -0.11 0.00 -1.82 0.00 0.00 55.36 52.75 3hhq s GLN 114 Cb 0.05 -0.93 -0.05 0.00 -1.09 0.00 0.00 33.01 30.99 3hhq s GLN 114 CO -0.04 0.22 0.18 -1.17 -1.32 0.00 0.00 175.29 173.15 3hhq s LEU 115 N -1.42 4.09 -0.12 2.60 2.96 0.14 -0.17 118.68 126.76 3hhq s LEU 115 Ca 0.00 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3hhq s LEU 115 Cb -0.09 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 3hhq s LEU 115 CO 0.02 0.03 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.35 3hhq s ILE 116 N 1.26 3.41 -1.03 6.68 1.01 -0.50 -0.48 121.20 131.55 3hhq s ILE 116 Ca 0.08 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 3hhq s ILE 116 Cb -0.14 -2.44 0.15 0.00 0.01 0.00 0.00 42.46 40.03 3hhq s ILE 116 CO 0.06 0.53 1.24 -0.76 0.00 0.00 0.00 174.94 176.01 3hhq s LEU 117 N 0.08 5.07 -0.02 2.97 1.43 -1.26 -1.57 118.68 125.39 3hhq s LEU 117 Ca -0.03 -2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 50.36 3hhq s LEU 117 Cb -0.14 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 3hhq s LEU 117 CO 0.04 -0.94 0.94 -1.61 0.23 0.00 0.00 176.35 175.01 3hhq s GLU 118 N 2.23 4.53 0.06 1.70 0.41 -0.91 -4.88 118.70 121.84 3hhq s GLU 118 Ca 0.36 1.33 -0.23 0.00 -0.41 0.00 0.00 54.97 56.02 3hhq s GLU 118 Cb -0.04 -3.46 -0.06 0.00 -1.78 0.00 0.00 34.13 28.78 3hhq s GLU 118 CO -0.06 -0.05 0.68 0.15 -0.49 0.00 0.00 175.26 175.49 3hhq s LYS 119 N 1.05 4.41 0.14 1.61 1.02 -1.26 -1.70 119.74 125.00 3hhq s LYS 119 Ca 0.49 0.93 0.00 0.00 0.02 0.00 0.00 55.97 57.42 3hhq s LYS 119 Cb -0.20 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 3hhq s LYS 119 CO 0.26 0.43 0.01 0.96 -0.92 0.00 0.00 175.35 176.09 3hhq s ILE 120 N -0.52 0.41 -0.48 2.17 -4.36 -0.47 -4.97 121.20 112.98 3hhq s ILE 120 Ca 0.34 -1.93 -0.20 0.00 -0.26 0.00 0.00 60.65 58.60 3hhq s ILE 120 Cb -0.20 -1.99 0.04 0.00 1.25 0.00 0.00 42.46 41.56 3hhq s ILE 120 CO 0.21 -0.56 0.64 -0.69 0.24 0.00 0.00 174.94 174.78 3hhq s VAL 121 N -3.83 4.84 -0.20 8.37 1.01 -1.26 -4.79 120.40 124.53 3hhq s VAL 121 Ca 0.21 -0.21 0.22 0.00 0.00 0.00 0.00 61.98 62.20 3hhq s VAL 121 Cb 0.07 -4.26 -0.25 0.00 0.00 0.00 0.00 36.38 31.93 3hhq s VAL 121 CO 0.01 -0.73 0.66 -0.90 0.00 0.00 0.00 175.10 174.14 3hhq n ASP 122 N 6.26 0.29 -1.96 3.32 3.85 -1.26 -4.47 116.55 122.57 3hhq n ASP 122 Ca -0.04 -0.05 -0.24 0.00 -0.71 0.00 0.00 54.79 53.75 3hhq n ASP 122 Cb 0.47 1.54 0.09 0.00 -1.35 0.00 0.00 41.12 41.87 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 -2.24 5.30 -4.75 -1.12 3.85 -1.26 -5.03 116.55 111.30 3hhq n ASP 123 Ca -0.02 -3.77 -0.41 0.00 -0.71 0.00 0.00 54.79 49.89 3hhq n ASP 123 Cb 0.53 -0.68 -0.04 0.00 -1.35 0.00 0.00 41.12 39.59 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 -3.59 3.44 -0.02 2.12 0.00 -1.26 -4.99 121.76 117.46 3hhq s ALA 124 Ca 0.55 0.99 -0.28 0.00 0.00 0.00 0.00 51.96 53.22 3hhq s ALA 124 Cb 0.45 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 3hhq s ALA 124 CO 0.02 -0.34 0.91 -1.14 0.00 0.00 0.00 175.76 175.21 3hhq s GLN 125 N -0.95 4.52 0.11 0.00 0.74 -1.26 -5.03 119.66 117.79 3hhq s GLN 125 Ca 0.49 1.28 -0.29 0.00 0.05 0.00 0.00 55.36 56.89 3hhq s GLN 125 Cb -0.34 -3.46 -0.06 0.00 1.10 0.00 0.00 33.01 30.25 3hhq s GLN 125 CO 0.41 -0.03 0.92 0.42 -0.55 0.00 0.00 175.29 176.46 3hhq s ILE 126 N 0.99 4.51 -0.08 -2.34 1.01 -1.26 -5.04 121.20 118.99 3hhq s ILE 126 Ca 0.48 1.99 -0.01 0.00 0.00 0.00 0.00 60.65 63.11 3hhq s ILE 126 Cb -0.20 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.01 3hhq s ILE 126 CO 0.25 0.34 -0.00 -0.69 0.00 0.00 0.00 174.94 174.84 3hhq s VAL 127 N -0.12 0.44 -0.12 2.92 1.01 -1.26 -5.13 120.40 118.14 3hhq s VAL 127 Ca 0.45 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 3hhq s VAL 127 Cb -0.23 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3hhq s VAL 127 CO 0.29 0.25 0.79 -0.69 0.00 0.00 0.00 175.10 175.74 3hhq s VAL 128 N 1.95 4.94 0.20 2.92 1.01 -1.26 -5.05 120.40 125.11 3hhq s VAL 128 Ca 0.05 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.67 3hhq s VAL 128 Cb -0.12 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3hhq s VAL 128 CO -0.06 0.12 -0.14 0.68 0.00 0.00 0.00 175.10 175.70 3hhq s VAL 129 N 1.60 1.70 -0.21 2.92 -7.23 -1.26 -5.06 120.40 112.85 3hhq s VAL 129 Ca 0.38 -2.20 0.20 0.00 -1.81 0.00 0.00 61.98 58.55 3hhq s VAL 129 Cb -0.17 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 3hhq s VAL 129 CO 0.15 -0.60 1.08 0.44 -0.31 0.00 0.00 175.10 175.87 3hhq h ASP 130 N 2.57 0.00 -5.22 4.85 3.32 -2.10 -3.46 116.42 116.38 3hhq h ASP 130 Ca -0.38 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 3hhq h ASP 130 Cb 1.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.66 3hhq h ASP 130 CO 0.62 0.26 -0.17 -0.94 -1.72 0.00 0.00 179.24 177.29 3hhq s SER 131 N -5.73 -0.08 0.00 6.45 1.04 -1.26 -5.37 113.70 108.75 3hhq s SER 131 Ca 0.00 -0.79 0.26 0.00 0.48 0.00 0.00 55.95 55.89 3hhq s SER 131 Cb 0.08 0.52 0.55 0.00 0.10 0.00 0.00 66.02 67.27 3hhq s SER 131 CO 0.78 -1.01 1.46 0.18 0.98 0.00 0.00 173.24 175.63