#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 0.00 -4.99 -0.67 4.81 -1.26 -4.75 118.16 111.30 3hhq n LYS 7 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 3hhq n LYS 7 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 3hhq n LYS 7 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hhq s VAL 8 N 0.00 2.62 -0.40 3.15 1.01 -1.26 -5.02 120.40 120.49 3hhq s VAL 8 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 3hhq s VAL 8 Cb 0.00 -2.05 0.04 0.00 0.00 0.00 0.00 36.38 34.37 3hhq s VAL 8 CO 0.00 0.55 0.25 -0.22 0.00 0.00 0.00 175.10 175.68 3hhq s LEU 9 N 0.18 4.95 -0.23 3.92 2.96 -1.26 -3.30 118.68 125.90 3hhq s LEU 9 Ca -0.11 -1.11 -0.21 0.00 -0.22 0.00 0.00 54.13 52.48 3hhq s LEU 9 Cb -0.16 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3hhq s LEU 9 CO 0.06 -0.45 0.65 -0.54 -1.32 0.00 0.00 176.35 174.75 3hhq s LYS 10 N 1.56 4.16 -0.17 1.98 1.02 -0.64 -4.93 119.74 122.71 3hhq s LYS 10 Ca 0.03 0.62 -0.06 0.00 0.02 0.00 0.00 55.97 56.58 3hhq s LYS 10 Cb -0.20 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 3hhq s LYS 10 CO 0.06 -0.35 0.02 0.42 -0.92 0.00 0.00 175.35 174.58 3hhq s ILE 11 N 2.27 4.39 -0.15 2.17 -1.09 -1.26 -1.20 121.20 126.33 3hhq s ILE 11 Ca 0.28 -0.18 -0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3hhq s ILE 11 Cb -0.16 -2.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.76 3hhq s ILE 11 CO 0.09 0.47 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.56 3hhq s GLN 12 N 0.38 3.30 -0.24 2.79 0.74 -0.45 -5.01 119.66 121.18 3hhq s GLN 12 Ca -0.00 -0.71 -0.17 0.00 0.05 0.00 0.00 55.36 54.52 3hhq s GLN 12 Cb -0.13 -2.68 -0.03 0.00 1.10 0.00 0.00 33.01 31.27 3hhq s GLN 12 CO 0.01 0.06 0.48 -0.51 -0.55 0.00 0.00 175.29 174.79 3hhq s LEU 13 N 0.74 4.09 0.18 3.68 1.43 -1.26 -1.41 118.68 126.13 3hhq s LEU 13 Ca -0.06 0.54 0.23 0.00 -1.03 0.00 0.00 54.13 53.81 3hhq s LEU 13 Cb -0.15 -2.63 0.10 0.00 0.03 0.00 0.00 46.19 43.54 3hhq s LEU 13 CO 0.01 -0.22 1.13 0.03 0.23 0.00 0.00 176.35 177.54 3hhq h ARG 14 N 7.78 0.00 -3.92 1.70 3.08 -0.98 -3.48 114.38 118.56 3hhq h ARG 14 Ca -0.32 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.54 3hhq h ARG 14 Cb 1.15 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.12 3hhq h ARG 14 CO 0.71 0.00 -0.15 -1.54 -1.07 0.00 0.00 179.97 177.93 3hhq s SER 15 N -5.02 0.54 0.22 7.04 1.04 -1.25 -5.03 113.70 111.23 3hhq s SER 15 Ca 0.02 -1.31 0.23 0.00 0.48 0.00 0.00 55.95 55.37 3hhq s SER 15 Cb 0.11 0.65 0.92 0.00 0.10 0.00 0.00 66.02 67.80 3hhq s SER 15 CO 0.77 -1.28 1.71 0.00 0.98 0.00 0.00 173.24 175.42 3hhq n ALA 16 N -0.50 1.80 0.22 5.32 0.00 -1.26 -2.86 120.51 123.22 3hhq n ALA 16 Ca -0.01 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.60 3hhq n ALA 16 Cb 0.62 -1.39 0.21 0.00 0.00 0.00 0.00 19.45 18.89 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 -4.17 0.00 0.02 -1.95 -3.47 113.55 103.99 3hhq h SER 17 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3hhq h SER 17 Cb 0.43 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.06 3hhq h SER 17 CO 0.00 0.06 0.39 0.00 -1.14 0.00 0.00 176.83 176.14 3hhq s ALA 18 N -3.24 2.55 -0.05 3.77 0.00 -1.14 -4.56 121.76 119.09 3hhq s ALA 18 Ca 0.06 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3hhq s ALA 18 Cb 0.06 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3hhq s ALA 18 CO 0.66 -1.10 -0.14 0.99 0.00 0.00 0.00 175.76 176.17 3hhq s THR 19 N -2.17 1.22 0.17 0.00 2.01 -1.26 -4.99 115.64 110.61 3hhq s THR 19 Ca 0.69 -0.56 -0.32 0.00 0.31 0.00 0.00 61.69 61.81 3hhq s THR 19 Cb -0.21 -1.08 -0.11 0.00 0.01 0.00 0.00 72.50 71.11 3hhq s THR 19 CO 0.37 0.37 1.65 -0.69 -0.69 0.00 0.00 174.62 175.63 3hhq s VAL 20 N 0.36 2.45 0.43 3.82 1.01 -1.26 -4.75 120.40 122.46 3hhq s VAL 20 Ca -0.09 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 3hhq s VAL 20 Cb -0.13 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.96 3hhq s VAL 20 CO 0.03 0.02 0.73 -2.65 0.00 0.00 0.00 175.10 173.23 3hhq n PRO 21 N 4.29 0.85 -4.55 2.72 -0.02 -1.26 -5.01 135.00 132.03 3hhq n PRO 21 Ca 0.15 0.31 -0.22 0.00 -2.02 0.00 0.00 63.50 61.72 3hhq n PRO 21 Cb 0.38 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.40 1.21 -0.05 3.45 -4.23 -1.16 -4.84 115.64 108.62 3hhq s THR 22 Ca 0.64 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 3hhq s THR 22 Cb -0.58 -1.05 0.01 0.00 1.34 0.00 0.00 72.50 72.23 3hhq s THR 22 CO 0.57 0.18 -0.09 -0.75 -0.54 0.00 0.00 174.62 173.99 3hhq s LYS 23 N -0.76 1.20 0.00 3.99 2.20 -1.26 -0.23 119.74 124.87 3hhq s LYS 23 Ca 0.04 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 3hhq s LYS 23 Cb -0.07 -1.07 0.00 0.00 -1.51 0.00 0.00 37.83 35.18 3hhq s LYS 23 CO 0.00 0.02 0.03 0.41 -0.36 0.00 0.00 175.35 175.46 3hhq n GLY 24 N 3.72 1.38 3.81 5.54 0.00 -1.26 -4.91 105.19 113.47 3hhq n GLY 24 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3hhq n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hhq s SER 25 N -1.16 7.02 0.31 1.61 0.15 -1.26 -4.99 113.70 115.38 3hhq s SER 25 Ca 0.00 1.66 0.06 0.00 0.70 0.00 0.00 55.95 58.37 3hhq s SER 25 Cb 0.00 -2.52 0.83 0.00 -1.71 0.00 0.00 66.02 62.62 3hhq s SER 25 CO 0.00 -0.25 1.66 0.00 1.20 0.00 0.00 173.24 175.85 3hhq h ALA 26 N 2.34 1.51 -0.00 5.45 0.00 -2.03 -2.05 119.26 124.48 3hhq h ALA 26 Ca -0.48 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hhq h ALA 26 Cb 1.18 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3hhq h ALA 26 CO 0.63 -0.48 -0.80 0.25 0.00 0.00 0.00 179.25 178.84 3hhq n THR 27 N -5.15 0.00 -1.48 0.00 -2.24 -1.26 -4.98 114.28 99.16 3hhq n THR 27 Ca 0.25 -0.05 -0.49 0.00 -2.27 0.00 0.00 64.05 61.49 3hhq n THR 27 Cb 0.77 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 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 -1.20 -2.07 -0.11 6.98 0.00 -0.77 -4.86 120.51 118.47 3hhq n ALA 28 Ca 0.05 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 3hhq n ALA 28 Cb 0.36 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 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 1.80 0.45 -2.18 0.00 0.00 -1.94 -3.48 119.26 113.92 3hhq h ALA 29 Ca -0.35 -0.26 -0.42 0.00 0.00 0.00 0.00 54.91 53.88 3hhq h ALA 29 Cb 1.40 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 3hhq h ALA 29 CO 0.61 0.24 -0.69 0.20 0.00 0.00 0.00 179.25 179.60 3hhq s GLY 30 N -3.28 1.50 -0.17 0.00 0.00 -1.26 -4.59 107.32 99.51 3hhq s GLY 30 Ca -0.13 -1.72 -0.07 0.00 0.00 0.00 0.00 44.72 42.80 3hhq s GLY 30 CO 0.78 -1.72 0.06 -0.19 0.00 0.00 0.00 173.10 172.03 3hhq s TYR 31 N -3.18 3.26 0.31 1.90 1.51 0.29 -4.62 117.35 116.82 3hhq s TYR 31 Ca 0.25 0.10 -0.29 0.00 -1.01 0.00 0.00 57.07 56.11 3hhq s TYR 31 Cb 0.03 -2.06 -0.10 0.00 -0.11 0.00 0.00 41.96 39.72 3hhq s TYR 31 CO 0.07 0.20 1.41 -0.51 -1.11 0.00 0.00 175.55 175.61 3hhq s ASP 32 N 0.24 6.60 -0.11 2.29 1.01 0.67 -0.36 116.67 127.02 3hhq s ASP 32 Ca 0.04 2.79 -0.01 0.00 0.71 0.00 0.00 52.55 56.08 3hhq s ASP 32 Cb -0.12 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 3hhq s ASP 32 CO 0.00 -0.70 -0.06 -0.63 0.21 0.00 0.00 175.17 173.99 3hhq s ILE 33 N -0.68 3.70 -0.02 0.77 -1.09 -0.36 -2.98 121.20 120.55 3hhq s ILE 33 Ca 0.54 -0.45 0.05 0.00 -2.23 0.00 0.00 60.65 58.56 3hhq s ILE 33 Cb -0.43 -2.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 3hhq s ILE 33 CO 0.52 0.55 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.31 3hhq s TYR 34 N -0.22 2.64 0.41 3.97 2.02 -1.26 -0.37 117.35 124.53 3hhq s TYR 34 Ca 0.03 -0.21 -0.25 0.00 -0.37 0.00 0.00 57.07 56.27 3hhq s TYR 34 Cb -0.13 -1.57 -0.08 0.00 -0.40 0.00 0.00 41.96 39.78 3hhq s TYR 34 CO 0.03 0.20 1.25 0.00 -1.57 0.00 0.00 175.55 175.45 3hhq s ALA 35 N -0.79 3.19 -1.11 3.71 0.00 0.03 -4.48 121.76 122.30 3hhq s ALA 35 Ca 0.13 1.12 0.10 0.00 0.00 0.00 0.00 51.96 53.31 3hhq s ALA 35 Cb -0.11 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.62 3hhq s ALA 35 CO 0.02 -0.72 0.74 -1.13 0.00 0.00 0.00 175.76 174.67 3hhq n SER 36 N 0.05 1.57 -3.75 0.00 3.41 0.61 -0.74 113.62 114.77 3hhq n SER 36 Ca 0.04 -1.29 -0.12 0.00 -0.26 0.00 0.00 58.87 57.24 3hhq n SER 36 Cb 0.45 0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.06 0.36 0.32 4.33 0.74 -1.24 -4.81 119.66 118.31 3hhq s GLN 37 Ca 0.10 0.51 -0.29 0.00 0.05 0.00 0.00 55.36 55.73 3hhq s GLN 37 Cb 0.08 0.12 -0.12 0.00 1.10 0.00 0.00 33.01 34.20 3hhq s GLN 37 CO 0.18 -0.08 1.54 -0.25 -0.55 0.00 0.00 175.29 176.13 3hhq n ASP 38 N 3.26 3.72 -3.64 6.67 9.92 -1.26 -4.31 116.55 130.89 3hhq n ASP 38 Ca -0.16 1.17 -0.15 0.00 -0.53 0.00 0.00 54.79 55.12 3hhq n ASP 38 Cb 0.57 -1.59 -0.08 0.00 -0.64 0.00 0.00 41.12 39.38 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 -0.39 0.01 -0.16 0.53 2.07 -0.70 -4.97 121.20 117.59 3hhq s ILE 39 Ca 0.61 -0.11 -0.10 0.00 -1.41 0.00 0.00 60.65 59.64 3hhq s ILE 39 Cb -0.50 -0.82 -0.05 0.00 0.13 0.00 0.00 42.46 41.22 3hhq s ILE 39 CO 0.54 -0.06 0.17 -0.89 -1.91 0.00 0.00 174.94 172.79 3hhq s THR 40 N -0.57 5.41 -0.41 4.00 2.01 -1.26 -0.88 115.64 123.93 3hhq s THR 40 Ca -0.07 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 3hhq s THR 40 Cb -0.03 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.01 3hhq s THR 40 CO 0.05 0.49 0.69 -0.63 -0.69 0.00 0.00 174.62 174.52 3hhq s ILE 41 N -0.08 4.79 0.70 1.82 -1.09 -0.01 -4.84 121.20 122.49 3hhq s ILE 41 Ca 0.12 0.38 -0.16 0.00 -2.23 0.00 0.00 60.65 58.76 3hhq s ILE 41 Cb -0.12 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.58 3hhq s ILE 41 CO 0.01 -0.54 1.20 -2.84 -1.23 0.00 0.00 174.94 171.54 3hhq s PRO 42 N 2.93 2.36 0.44 2.79 0.02 -1.26 -0.40 135.00 141.88 3hhq s PRO 42 Ca 0.26 1.73 -0.26 0.00 0.02 0.00 0.00 61.00 62.75 3hhq s PRO 42 Cb -0.14 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 3hhq s PRO 42 CO 0.19 -1.66 1.41 0.00 -0.33 0.00 0.00 177.00 176.61 3hhq n ALA 43 N -2.49 1.96 -2.82 -1.55 0.00 -1.26 -1.86 120.51 112.48 3hhq n ALA 43 Ca 0.13 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.63 3hhq n ALA 43 Cb 0.50 -2.38 0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.11 -3.24 -0.30 0.00 2.81 -0.39 -4.90 117.12 110.99 3hhq n MET 44 Ca 0.05 0.76 0.00 0.00 -1.81 0.00 0.00 57.70 56.70 3hhq n MET 44 Cb 0.41 -5.49 0.00 0.00 -0.71 0.00 0.00 33.22 27.43 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 -1.16 5.52 3.11 3.03 0.00 -0.78 -4.89 105.19 110.02 3hhq n GLY 45 Ca -0.13 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 3hhq n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hhq s GLN 46 N 0.55 0.49 0.28 1.61 0.74 -1.26 -1.08 119.66 120.99 3hhq s GLN 46 Ca 0.00 -0.41 -0.16 0.00 0.05 0.00 0.00 55.36 54.84 3hhq s GLN 46 Cb 0.00 0.20 0.01 0.00 1.10 0.00 0.00 33.01 34.33 3hhq s GLN 46 CO 0.00 -0.12 0.61 0.20 -0.55 0.00 0.00 175.29 175.44 3hhq s GLY 47 N -1.41 0.31 -0.17 2.59 0.00 0.98 -4.48 107.32 105.14 3hhq s GLY 47 Ca -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3hhq s GLY 47 CO 0.02 -0.39 -0.10 1.06 0.00 0.00 0.00 173.10 173.69 3hhq s MET 48 N -3.73 1.93 -0.25 2.90 -1.94 -1.26 -0.33 119.30 116.61 3hhq s MET 48 Ca 0.17 -0.67 -0.10 0.00 -1.71 0.00 0.00 55.69 53.38 3hhq s MET 48 Cb -0.03 -2.20 -0.05 0.00 2.01 0.00 0.00 34.83 34.55 3hhq s MET 48 CO 0.09 -0.38 0.15 0.08 -0.01 0.00 0.00 175.02 174.96 3hhq s VAL 49 N 1.49 5.18 0.23 -6.03 1.01 0.71 -4.85 120.40 118.14 3hhq s VAL 49 Ca 0.01 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 3hhq s VAL 49 Cb -0.15 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 3hhq s VAL 49 CO -0.09 0.32 1.35 -0.44 0.00 0.00 0.00 175.10 176.24 3hhq s SER 50 N 1.34 6.80 -0.08 3.32 0.01 -1.26 -1.06 113.70 122.77 3hhq s SER 50 Ca 0.07 2.52 0.08 0.00 1.31 0.00 0.00 55.95 59.93 3hhq s SER 50 Cb -0.15 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.35 3hhq s SER 50 CO 0.07 -0.58 0.05 0.35 0.41 0.00 0.00 173.24 173.53 3hhq n THR 51 N 2.34 0.57 -2.51 1.44 -2.24 -1.25 -0.28 114.28 112.35 3hhq n THR 51 Ca 0.06 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.25 3hhq n THR 51 Cb 0.42 -0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.30 -5.99 -4.47 3.42 8.00 -1.26 -4.28 116.55 109.68 3hhq n ASP 52 Ca -0.14 -0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.04 3hhq n ASP 52 Cb 0.75 -4.95 -0.11 0.00 -0.02 0.00 0.00 41.12 36.79 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 -3.07 2.52 0.24 0.53 -4.36 -1.26 -0.26 121.20 115.54 3hhq s ILE 53 Ca 0.06 -2.19 0.07 0.00 -0.26 0.00 0.00 60.65 58.33 3hhq s ILE 53 Cb -0.02 -2.27 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 3hhq s ILE 53 CO 0.07 -0.26 -0.10 -0.44 0.24 0.00 0.00 174.94 174.45 3hhq s SER 54 N -3.13 2.63 0.09 4.36 0.01 -0.50 -1.11 113.70 116.05 3hhq s SER 54 Ca 0.26 -1.11 -0.24 0.00 1.31 0.00 0.00 55.95 56.17 3hhq s SER 54 Cb -0.06 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.08 3hhq s SER 54 CO 0.13 -0.26 0.57 0.72 0.41 0.00 0.00 173.24 174.81 3hhq s PHE 55 N -3.01 -0.50 -0.26 2.43 -0.71 -1.26 -1.34 117.98 113.34 3hhq s PHE 55 Ca 0.26 0.47 0.02 0.00 -1.04 0.00 0.00 56.93 56.64 3hhq s PHE 55 Cb 0.02 0.44 0.05 0.00 -1.21 0.00 0.00 43.02 42.32 3hhq s PHE 55 CO 0.09 -0.73 -0.10 0.99 -1.34 0.00 0.00 175.22 174.13 3hhq s THR 56 N -2.93 2.32 0.76 -4.49 2.01 -0.34 -4.81 115.64 108.16 3hhq s THR 56 Ca -0.03 -1.53 -0.11 0.00 0.31 0.00 0.00 61.69 60.33 3hhq s THR 56 Cb -0.00 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.23 3hhq s THR 56 CO -0.06 0.00 1.09 0.68 -0.69 0.00 0.00 174.62 175.64 3hhq s VAL 57 N 1.14 3.42 0.77 3.82 -7.23 -1.26 -1.62 120.40 119.44 3hhq s VAL 57 Ca -0.07 0.46 -0.15 0.00 -1.81 0.00 0.00 61.98 60.41 3hhq s VAL 57 Cb -0.19 -2.98 0.02 0.00 0.56 0.00 0.00 36.38 33.78 3hhq s VAL 57 CO -0.05 -0.60 0.87 -2.65 -0.31 0.00 0.00 175.10 172.36 3hhq n PRO 58 N -3.46 0.29 -1.74 4.82 -0.02 -1.21 -4.65 135.00 129.04 3hhq n PRO 58 Ca 0.09 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 3hhq n PRO 58 Cb 0.53 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.80 1.40 -0.48 -1.45 0.31 -1.26 -2.44 118.33 111.61 3hhq n VAL 59 Ca 0.12 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3hhq n VAL 59 Cb 0.50 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 1.53 0.74 3.37 2.92 0.00 -1.26 -4.35 105.19 108.15 3hhq n GLY 60 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.71 0.52 0.24 2.61 -4.23 -1.02 -1.24 115.64 109.80 3hhq s THR 61 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 3hhq s THR 61 Cb 0.00 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 3hhq s THR 61 CO 0.00 0.00 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.29 3hhq s TYR 62 N -3.55 1.72 -0.22 3.99 1.13 -0.91 -4.57 117.35 114.94 3hhq s TYR 62 Ca 0.34 -0.74 -0.25 0.00 -1.41 0.00 0.00 57.07 55.02 3hhq s TYR 62 Cb 0.06 -0.94 -0.01 0.00 -1.10 0.00 0.00 41.96 39.97 3hhq s TYR 62 CO 0.16 0.19 0.82 0.20 -2.51 0.00 0.00 175.55 174.41 3hhq s GLY 63 N -3.35 1.88 -0.28 5.49 0.00 -0.03 -2.55 107.32 108.48 3hhq s GLY 63 Ca 0.26 -0.09 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 3hhq s GLY 63 CO 0.09 1.73 0.24 -1.60 0.00 0.00 0.00 173.10 173.56 3hhq s ARG 64 N 2.57 3.93 -0.84 2.90 3.52 0.18 -1.46 118.95 129.75 3hhq s ARG 64 Ca 0.36 -0.26 -0.23 0.00 -0.13 0.00 0.00 55.73 55.46 3hhq s ARG 64 Cb -0.16 -3.67 0.07 0.00 -1.56 0.00 0.00 34.95 29.63 3hhq s ARG 64 CO 0.09 -0.22 1.22 0.42 -0.81 0.00 0.00 175.30 176.00 3hhq s ILE 65 N 1.83 4.13 0.21 4.11 -1.09 -0.28 -0.59 121.20 129.52 3hhq s ILE 65 Ca 0.09 -0.52 0.06 0.00 -2.23 0.00 0.00 60.65 58.04 3hhq s ILE 65 Cb -0.16 -4.87 -0.04 0.00 -1.58 0.00 0.00 42.46 35.81 3hhq s ILE 65 CO 0.11 -1.71 0.22 0.00 -1.23 0.00 0.00 174.94 172.32 3hhq s ALA 66 N 4.48 3.69 0.31 9.38 0.00 0.35 -4.66 121.76 135.31 3hhq s ALA 66 Ca 0.34 -1.28 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 3hhq s ALA 66 Cb -0.07 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.50 3hhq s ALA 66 CO 0.02 0.36 1.02 -1.25 0.00 0.00 0.00 175.76 175.91 3hhq s PRO 67 N -3.56 4.57 0.12 0.00 0.04 -1.26 -1.03 135.00 133.88 3hhq s PRO 67 Ca 0.33 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 3hhq s PRO 67 Cb -0.09 -2.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.39 3hhq s PRO 67 CO 0.26 0.22 1.31 1.03 0.04 0.00 0.00 177.00 179.86 3hhq s ARG 68 N -1.75 4.37 0.23 4.56 0.52 -1.26 -4.73 118.95 120.89 3hhq s ARG 68 Ca 0.48 1.98 -0.08 0.00 -0.52 0.00 0.00 55.73 57.59 3hhq s ARG 68 Cb -0.25 -3.26 0.23 0.00 0.52 0.00 0.00 34.95 32.19 3hhq s ARG 68 CO 0.32 -0.33 1.90 0.77 0.02 0.00 0.00 175.30 177.98 3hhq h SER 69 N 6.43 1.01 -0.04 0.23 0.02 -1.96 -2.62 113.55 116.61 3hhq h SER 69 Ca -0.43 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.53 3hhq h SER 69 Cb 1.21 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3hhq h SER 69 CO 0.83 0.72 -0.13 1.23 -1.14 0.00 0.00 176.83 178.34 3hhq h GLY 70 N 1.18 -0.12 1.69 -3.77 0.00 -1.99 -1.91 103.07 98.16 3hhq h GLY 70 Ca 0.34 0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.73 3hhq h GLY 70 CO -0.08 -0.13 -0.27 1.41 0.00 0.00 0.00 176.54 177.47 3hhq h LEU 71 N -0.19 0.36 0.22 3.11 4.07 -1.90 0.28 115.31 121.25 3hhq h LEU 71 Ca 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3hhq h LEU 71 Cb 0.27 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 3hhq h LEU 71 CO -0.15 0.63 -0.22 0.00 -1.08 0.00 0.00 178.44 177.61 3hhq h ALA 72 N 1.40 -0.45 0.26 1.53 0.00 -1.13 0.57 119.26 121.44 3hhq h ALA 72 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hhq h ALA 72 Cb 0.64 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hhq h ALA 72 CO 0.05 -0.78 -0.13 0.28 0.00 0.00 0.00 179.25 178.67 3hhq h VAL 73 N -0.47 0.76 0.00 0.00 2.07 -1.06 -1.95 116.25 115.60 3hhq h VAL 73 Ca -0.00 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3hhq h VAL 73 Cb 0.44 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3hhq h VAL 73 CO -0.05 0.03 -1.45 0.29 0.02 0.00 0.00 177.57 176.41 3hhq n LYS 74 N -5.21 0.63 0.00 1.57 5.02 0.95 -4.42 118.16 116.69 3hhq n LYS 74 Ca -0.10 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hhq n LYS 74 Cb 0.18 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 3hhq n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hhq n ASN 75 N -2.70 0.38 -0.88 4.39 3.02 0.13 -5.03 115.26 114.57 3hhq n ASN 75 Ca -0.07 -0.70 -0.10 0.00 -0.03 0.00 0.00 54.58 53.68 3hhq n ASN 75 Cb 0.72 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 40.22 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 0.36 0.71 3.70 7.41 0.00 -0.73 -4.34 105.19 112.30 3hhq n GLY 76 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.41 5.29 -0.04 -0.61 -1.09 -1.05 0.35 121.20 121.64 3hhq s ILE 77 Ca 0.00 0.54 0.04 0.00 -2.23 0.00 0.00 60.65 59.00 3hhq s ILE 77 Cb 0.00 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 3hhq s ILE 77 CO 0.00 0.35 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.32 3hhq s GLN 78 N 0.75 2.44 0.29 2.79 2.00 -0.31 -3.64 119.66 123.98 3hhq s GLN 78 Ca 0.16 -0.73 -0.26 0.00 -2.00 0.00 0.00 55.36 52.53 3hhq s GLN 78 Cb -0.13 -2.33 -0.09 0.00 0.80 0.00 0.00 33.01 31.25 3hhq s GLN 78 CO 0.05 0.61 0.91 0.95 -0.50 0.00 0.00 175.29 177.31 3hhq s THR 79 N -0.72 4.23 0.18 -0.34 -4.23 -1.26 -0.39 115.64 113.10 3hhq s THR 79 Ca 0.11 1.81 0.02 0.00 -1.18 0.00 0.00 61.69 62.46 3hhq s THR 79 Cb -0.11 -4.06 0.02 0.00 1.34 0.00 0.00 72.50 69.69 3hhq s THR 79 CO 0.00 0.24 0.19 0.61 -0.54 0.00 0.00 174.62 175.13 3hhq n GLY 80 N 0.83 2.46 6.63 3.99 0.00 0.18 -4.86 105.19 114.41 3hhq n GLY 80 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.71 0.00 -0.07 4.61 0.00 -1.26 -4.44 120.51 116.64 3hhq n ALA 81 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3hhq n ALA 81 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 0.54 3.35 0.00 0.00 -1.26 -4.94 105.19 102.88 3hhq n GLY 82 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.14 5.05 -0.40 1.61 1.01 -1.26 -1.13 120.40 123.15 3hhq s VAL 83 Ca 0.00 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.40 3hhq s VAL 83 Cb 0.00 -4.45 0.01 0.00 0.00 0.00 0.00 36.38 31.94 3hhq s VAL 83 CO 0.00 -1.05 0.48 -0.69 0.00 0.00 0.00 175.10 173.84 3hhq s VAL 84 N 1.98 5.03 0.59 2.92 1.01 -0.54 -5.01 120.40 126.38 3hhq s VAL 84 Ca 0.11 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 3hhq s VAL 84 Cb -0.23 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3hhq s VAL 84 CO 0.02 -0.38 1.15 -1.81 0.00 0.00 0.00 175.10 174.09 3hhq s ASP 85 N 1.83 5.38 0.62 3.32 1.11 -1.26 -0.85 116.67 126.82 3hhq s ASP 85 Ca 0.15 2.22 0.35 0.00 0.18 0.00 0.00 52.55 55.46 3hhq s ASP 85 Cb -0.16 -2.58 2.04 0.00 1.07 0.00 0.00 42.92 43.29 3hhq s ASP 85 CO 0.14 -1.45 2.29 -0.09 1.18 0.00 0.00 175.17 177.24 3hhq h ARG 86 N 0.84 0.00 -0.30 8.23 2.43 -1.92 -2.35 114.38 121.30 3hhq h ARG 86 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3hhq h ARG 86 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3hhq h ARG 86 CO 0.56 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.62 3hhq n ASP 87 N -3.55 2.76 -4.69 -3.80 3.85 -1.26 -4.61 116.55 105.25 3hhq n ASP 87 Ca -0.03 -1.89 -0.41 0.00 -0.71 0.00 0.00 54.79 51.74 3hhq n ASP 87 Cb 0.09 -0.19 -0.04 0.00 -1.35 0.00 0.00 41.12 39.63 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 -1.61 3.52 0.00 2.11 5.04 -0.89 -4.93 117.35 120.60 3hhq s TYR 88 Ca 0.36 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.42 3hhq s TYR 88 Cb 0.20 -3.04 0.00 0.00 0.35 0.00 0.00 41.96 39.48 3hhq s TYR 88 CO 0.29 -0.12 0.78 0.25 -1.34 0.00 0.00 175.55 175.41 3hhq n THR 89 N 4.33 0.59 -1.76 4.34 -2.24 -1.26 -4.62 114.28 113.66 3hhq n THR 89 Ca 0.05 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.78 3hhq n THR 89 Cb 0.50 0.74 0.16 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.59 1.68 0.22 3.38 0.00 -1.26 -4.89 107.32 105.85 3hhq s GLY 90 Ca 0.00 -0.94 -0.32 0.00 0.00 0.00 0.00 44.72 43.47 3hhq s GLY 90 CO 0.00 -0.25 1.59 -2.21 0.00 0.00 0.00 173.10 172.23 3hhq n GLU 91 N -3.78 2.42 -2.70 2.90 2.13 -1.26 -4.49 120.64 115.85 3hhq n GLU 91 Ca 0.12 0.87 -0.42 0.00 0.66 0.00 0.00 57.16 58.38 3hhq n GLU 91 Cb 0.60 -2.64 -0.03 0.00 0.27 0.00 0.00 31.44 29.64 3hhq n GLU 91 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hhq s VAL 92 N 0.58 4.18 0.25 6.31 1.01 -0.27 -4.99 120.40 127.48 3hhq s VAL 92 Ca 0.72 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 63.25 3hhq s VAL 92 Cb -0.59 -4.65 -0.05 0.00 0.00 0.00 0.00 36.38 31.09 3hhq s VAL 92 CO 0.41 -1.26 0.51 -0.54 0.00 0.00 0.00 175.10 174.22 3hhq s LYS 93 N 4.51 3.62 -0.20 2.72 1.02 -1.26 -3.91 119.74 126.24 3hhq s LYS 93 Ca 0.37 -0.05 -0.02 0.00 0.02 0.00 0.00 55.97 56.28 3hhq s LYS 93 Cb -0.10 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.51 3hhq s LYS 93 CO 0.22 0.28 -0.09 0.08 -0.92 0.00 0.00 175.35 174.92 3hhq s VAL 94 N -1.98 3.03 -0.13 3.17 1.01 -0.23 -4.87 120.40 120.40 3hhq s VAL 94 Ca 0.43 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 3hhq s VAL 94 Cb -0.11 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3hhq s VAL 94 CO 0.29 0.46 1.07 -0.69 0.00 0.00 0.00 175.10 176.23 3hhq s VAL 95 N 1.34 4.62 -0.03 2.92 1.01 -1.26 -0.21 120.40 128.79 3hhq s VAL 95 Ca 0.04 1.91 0.06 0.00 0.00 0.00 0.00 61.98 64.00 3hhq s VAL 95 Cb -0.14 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 3hhq s VAL 95 CO -0.05 -0.06 -0.22 -0.76 0.00 0.00 0.00 175.10 174.02 3hhq s LEU 96 N 2.48 2.03 -0.13 3.92 1.43 0.55 0.47 118.68 129.43 3hhq s LEU 96 Ca 0.49 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3hhq s LEU 96 Cb -0.19 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 3hhq s LEU 96 CO 0.15 0.25 -0.06 -0.36 0.23 0.00 0.00 176.35 176.56 3hhq s PHE 97 N -0.35 2.97 -0.35 0.29 2.99 0.47 -0.02 117.98 123.98 3hhq s PHE 97 Ca 0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 56.93 56.64 3hhq s PHE 97 Cb -0.10 -1.88 0.06 0.00 0.00 0.00 0.00 43.02 41.10 3hhq s PHE 97 CO 0.01 0.03 0.11 1.21 -0.00 0.00 0.00 175.22 176.57 3hhq s ASN 98 N 0.07 5.24 0.00 1.36 3.84 -0.24 -1.16 114.94 124.04 3hhq s ASN 98 Ca -0.01 -1.36 0.29 0.00 0.21 0.00 0.00 52.86 51.99 3hhq s ASN 98 Cb -0.14 -1.84 1.37 0.00 -0.55 0.00 0.00 41.25 40.09 3hhq s ASN 98 CO 0.03 -0.37 1.98 1.41 -2.79 0.00 0.00 177.10 177.36 3hhq n HIS 99 N 4.74 0.00 -2.52 0.43 8.25 0.15 -1.26 115.22 125.02 3hhq n HIS 99 Ca -0.11 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.12 3hhq n HIS 99 Cb 0.44 -0.38 0.08 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.76 4.75 0.00 0.41 1.04 -1.26 -4.75 113.70 111.13 3hhq s SER 100 Ca 0.22 -0.07 0.18 0.00 0.48 0.00 0.00 55.95 56.75 3hhq s SER 100 Cb 0.19 -0.54 0.66 0.00 0.10 0.00 0.00 66.02 66.44 3hhq s SER 100 CO 0.48 -1.57 1.48 0.00 0.98 0.00 0.00 173.24 174.62 3hhq n GLN 101 N -2.69 1.64 -4.71 4.02 1.13 -1.26 -1.87 117.38 113.64 3hhq n GLN 101 Ca 0.11 -0.98 -0.33 0.00 -1.94 0.00 0.00 57.00 53.87 3hhq n GLN 101 Cb 0.60 -1.34 -0.15 0.00 0.11 0.00 0.00 30.24 29.46 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 -1.76 3.31 0.41 -1.09 0.52 -1.26 -4.81 118.95 114.26 3hhq s ARG 102 Ca 0.29 -0.72 -0.26 0.00 -0.52 0.00 0.00 55.73 54.52 3hhq s ARG 102 Cb 0.15 -2.61 -0.10 0.00 0.52 0.00 0.00 34.95 32.91 3hhq s ARG 102 CO 0.23 0.14 1.35 -0.25 0.02 0.00 0.00 175.30 176.79 3hhq n ASP 103 N 3.73 3.00 -4.25 0.23 10.43 -1.26 -4.00 116.55 124.42 3hhq n ASP 103 Ca -0.18 1.15 -0.37 0.00 2.57 0.00 0.00 54.79 57.95 3hhq n ASP 103 Cb 0.52 -1.54 -0.13 0.00 1.84 0.00 0.00 41.12 41.81 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 -1.17 3.25 0.08 1.24 2.19 0.47 -4.89 117.98 119.16 3hhq s PHE 104 Ca 0.59 -1.53 -0.26 0.00 0.33 0.00 0.00 56.93 56.06 3hhq s PHE 104 Cb -0.50 -2.23 -0.06 0.00 -1.31 0.00 0.00 43.02 38.92 3hhq s PHE 104 CO 0.60 -0.75 0.82 0.00 1.83 0.00 0.00 175.22 177.72 3hhq s ALA 105 N 1.37 3.35 -0.05 11.12 0.00 -1.26 -0.83 121.76 135.45 3hhq s ALA 105 Ca -0.03 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.35 3hhq s ALA 105 Cb -0.20 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 3hhq s ALA 105 CO 0.02 0.08 -0.18 0.42 0.00 0.00 0.00 175.76 176.10 3hhq s ILE 106 N -0.21 1.48 0.14 0.00 1.01 -0.06 -5.00 121.20 118.56 3hhq s ILE 106 Ca 0.40 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.39 3hhq s ILE 106 Cb -0.22 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 3hhq s ILE 106 CO 0.25 0.43 -0.03 -0.54 0.00 0.00 0.00 174.94 175.04 3hhq s LYS 107 N 0.10 2.33 -0.36 2.79 -0.14 -1.26 -1.71 119.74 121.48 3hhq s LYS 107 Ca -0.06 -1.05 -0.44 0.00 -1.36 0.00 0.00 55.97 53.06 3hhq s LYS 107 Cb -0.12 -2.36 -0.19 0.00 -1.68 0.00 0.00 37.83 33.48 3hhq s LYS 107 CO 0.03 0.48 1.56 1.17 -0.76 0.00 0.00 175.35 177.83 3hhq n LYS 108 N 0.22 0.32 0.00 1.68 0.00 -1.26 -1.90 118.16 117.22 3hhq n LYS 108 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 58.31 58.32 3hhq n LYS 108 Cb 0.54 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.90 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 3.68 2.26 3.77 3.14 0.00 0.08 -4.99 105.19 113.14 3hhq n GLY 109 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 3hhq n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hhq s ASP 110 N -1.60 6.54 -0.03 1.61 1.01 -0.80 -4.72 116.67 118.69 3hhq s ASP 110 Ca 0.00 2.42 -0.30 0.00 0.71 0.00 0.00 52.55 55.38 3hhq s ASP 110 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3hhq s ASP 110 CO 0.00 -0.67 1.26 -0.13 0.21 0.00 0.00 175.17 175.84 3hhq s ARG 111 N -2.20 4.34 -0.00 8.23 0.52 -1.26 -0.79 118.95 127.78 3hhq s ARG 111 Ca 0.56 1.77 0.07 0.00 -0.52 0.00 0.00 55.73 57.60 3hhq s ARG 111 Cb -0.33 -3.54 -0.08 0.00 0.52 0.00 0.00 34.95 31.52 3hhq s ARG 111 CO 0.41 -0.47 0.29 1.33 0.02 0.00 0.00 175.30 176.88 3hhq n VAL 112 N 4.58 0.00 -4.03 3.52 0.24 0.50 -4.94 118.33 118.20 3hhq n VAL 112 Ca 0.11 -0.32 0.04 0.00 -2.04 0.00 0.00 64.34 62.13 3hhq n VAL 112 Cb 0.45 0.96 0.01 0.00 -1.47 0.00 0.00 33.84 33.79 3hhq n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhq n ALA 113 N -1.20 -3.56 -3.04 2.33 0.00 -1.20 -4.66 120.51 109.18 3hhq n ALA 113 Ca 0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 3hhq n ALA 113 Cb 0.11 0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.01 0.37 -0.25 0.00 -2.07 -0.20 -1.22 119.66 114.28 3hhq s GLN 114 Ca 0.30 -0.44 -0.10 0.00 -1.82 0.00 0.00 55.36 53.30 3hhq s GLN 114 Cb -0.00 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 3hhq s GLN 114 CO -0.02 -0.08 0.14 -1.17 -1.32 0.00 0.00 175.29 172.85 3hhq s LEU 115 N -1.27 3.89 -0.13 2.60 2.96 0.52 0.13 118.68 127.38 3hhq s LEU 115 Ca -0.14 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3hhq s LEU 115 Cb -0.08 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 3hhq s LEU 115 CO 0.00 0.00 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.27 3hhq s ILE 116 N 1.43 2.94 -1.20 6.68 1.01 0.24 -0.55 121.20 131.75 3hhq s ILE 116 Ca 0.07 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 3hhq s ILE 116 Cb -0.15 -2.23 0.10 0.00 0.01 0.00 0.00 42.46 40.19 3hhq s ILE 116 CO 0.07 0.52 1.55 -0.76 0.00 0.00 0.00 174.94 176.32 3hhq s LEU 117 N 0.44 4.25 -0.02 2.97 1.43 -1.26 0.49 118.68 126.98 3hhq s LEU 117 Ca -0.10 -2.43 -0.30 0.00 -1.03 0.00 0.00 54.13 50.27 3hhq s LEU 117 Cb -0.16 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 3hhq s LEU 117 CO 0.05 -1.09 1.43 -1.61 0.23 0.00 0.00 176.35 175.36 3hhq s GLU 118 N 3.42 4.26 0.27 1.70 0.41 -1.06 -4.87 118.70 122.83 3hhq s GLU 118 Ca 0.48 1.98 -0.29 0.00 -0.41 0.00 0.00 54.97 56.72 3hhq s GLU 118 Cb 0.01 -3.64 -0.09 0.00 -1.78 0.00 0.00 34.13 28.63 3hhq s GLU 118 CO 0.01 -0.62 1.13 0.15 -0.49 0.00 0.00 175.26 175.44 3hhq s LYS 119 N 2.69 4.60 0.10 1.61 1.02 -1.26 -2.14 119.74 126.36 3hhq s LYS 119 Ca 0.64 1.84 0.00 0.00 0.02 0.00 0.00 55.97 58.48 3hhq s LYS 119 Cb -0.31 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 3hhq s LYS 119 CO 0.26 0.14 -0.02 0.96 -0.92 0.00 0.00 175.35 175.77 3hhq s ILE 120 N -0.99 0.42 -0.37 2.17 -4.36 -0.37 -4.95 121.20 112.74 3hhq s ILE 120 Ca 0.46 -1.90 -0.29 0.00 -0.26 0.00 0.00 60.65 58.66 3hhq s ILE 120 Cb -0.33 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 41.61 3hhq s ILE 120 CO 0.41 -0.75 1.10 -0.69 0.24 0.00 0.00 174.94 175.26 3hhq s VAL 121 N -3.81 4.40 -0.89 8.37 1.01 -1.26 -4.73 120.40 123.48 3hhq s VAL 121 Ca 0.15 1.56 0.12 0.00 0.00 0.00 0.00 61.98 63.81 3hhq s VAL 121 Cb 0.07 -4.47 0.35 0.00 0.00 0.00 0.00 36.38 32.33 3hhq s VAL 121 CO -0.03 -0.66 1.29 -0.90 0.00 0.00 0.00 175.10 174.80 3hhq n ASP 122 N 7.22 3.11 -1.26 3.32 3.85 -1.26 -4.61 116.55 126.91 3hhq n ASP 122 Ca 0.12 -2.12 0.04 0.00 -0.71 0.00 0.00 54.79 52.12 3hhq n ASP 122 Cb 0.48 -0.28 0.04 0.00 -1.35 0.00 0.00 41.12 40.01 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 0.46 1.02 -4.77 -1.12 3.85 -1.26 -5.09 116.55 109.64 3hhq n ASP 123 Ca 0.13 -2.27 -0.34 0.00 -0.71 0.00 0.00 54.79 51.61 3hhq n ASP 123 Cb 0.49 -0.32 0.04 0.00 -1.35 0.00 0.00 41.12 39.98 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 -0.47 2.49 -0.08 2.12 0.00 -1.26 -5.06 121.76 119.50 3hhq s ALA 124 Ca 0.31 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 3hhq s ALA 124 Cb 0.35 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3hhq s ALA 124 CO -0.14 -1.20 -0.01 -0.65 0.00 0.00 0.00 175.76 173.76 3hhq s GLN 125 N -3.83 2.95 -0.06 0.00 -0.21 -1.26 -5.11 119.66 112.13 3hhq s GLN 125 Ca 0.70 -0.43 -0.18 0.00 0.02 0.00 0.00 55.36 55.47 3hhq s GLN 125 Cb -0.23 -2.77 -0.05 0.00 1.00 0.00 0.00 33.01 30.97 3hhq s GLN 125 CO 0.38 0.70 0.50 0.42 -2.12 0.00 0.00 175.29 175.17 3hhq s ILE 126 N -0.88 5.07 -0.13 1.08 1.01 -1.26 -5.07 121.20 121.02 3hhq s ILE 126 Ca 0.13 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.84 3hhq s ILE 126 Cb -0.11 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3hhq s ILE 126 CO 0.02 0.40 -0.21 -0.69 0.00 0.00 0.00 174.94 174.46 3hhq s VAL 127 N 0.09 2.22 -0.31 2.92 1.01 -1.26 -5.11 120.40 119.95 3hhq s VAL 127 Ca 0.27 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 3hhq s VAL 127 Cb -0.16 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3hhq s VAL 127 CO 0.13 0.54 0.56 -0.69 0.00 0.00 0.00 175.10 175.65 3hhq s VAL 128 N 0.70 4.99 0.18 2.92 1.01 -1.26 -5.06 120.40 123.87 3hhq s VAL 128 Ca -0.09 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3hhq s VAL 128 Cb -0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3hhq s VAL 128 CO 0.01 -0.13 -0.13 0.68 0.00 0.00 0.00 175.10 175.53 3hhq s VAL 129 N 2.48 3.01 0.29 2.92 -7.23 -1.26 -5.04 120.40 115.57 3hhq s VAL 129 Ca 0.22 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 3hhq s VAL 129 Cb -0.15 -2.48 0.12 0.00 0.56 0.00 0.00 36.38 34.42 3hhq s VAL 129 CO 0.12 -0.11 1.79 0.44 -0.31 0.00 0.00 175.10 177.03 3hhq h ASP 130 N 2.99 0.60 -5.00 4.85 3.32 -2.06 -3.46 116.42 117.67 3hhq h ASP 130 Ca -0.47 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.39 3hhq h ASP 130 Cb 1.20 -0.16 -0.17 0.00 0.22 0.00 0.00 39.33 40.43 3hhq h ASP 130 CO 0.53 0.72 0.18 -0.94 -1.72 0.00 0.00 179.24 178.00 3hhq s SER 131 N -6.72 -0.61 0.27 6.45 1.04 -1.26 -5.03 113.70 107.85 3hhq s SER 131 Ca -0.08 0.45 0.18 0.00 0.48 0.00 0.00 55.95 56.98 3hhq s SER 131 Cb 0.15 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.91 3hhq s SER 131 CO 0.79 -0.72 1.34 -0.07 0.98 0.00 0.00 173.24 175.56 3hhq h LEU 132 N 2.70 0.00 0.00 2.42 3.38 -1.95 -3.15 115.31 118.72 3hhq h LEU 132 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hhq h LEU 132 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hhq h LEU 132 CO 0.39 0.34 -0.05 -0.62 0.09 0.00 0.00 178.44 178.59 3hhq n GLU 133 N -3.08 0.07 0.17 1.13 4.71 -1.26 -3.86 120.64 118.52 3hhq n GLU 133 Ca 0.00 0.06 -0.07 0.00 -0.01 0.00 0.00 57.16 57.14 3hhq n GLU 133 Cb 0.68 -1.58 -0.03 0.00 -1.01 0.00 0.00 31.44 29.50 3hhq n GLU 133 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3hhq h GLU 134 N 0.00 -0.43 0.00 3.49 4.57 -1.96 -3.55 114.58 116.70 3hhq h GLU 134 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3hhq h GLU 134 Cb 0.57 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 3hhq h GLU 134 CO 0.00 -0.29 0.00 0.43 -1.18 0.00 0.00 179.01 177.97