#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tuz n ALA 2 N 0.00 -1.28 -1.58 3.04 0.00 -1.26 -4.88 120.51 114.56 1tuz n ALA 2 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1tuz n ALA 2 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1tuz n ALA 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1tuz n LYS 3 N -4.12 0.00 0.00 0.00 3.00 -1.26 -4.68 118.16 111.10 1tuz n LYS 3 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1tuz n LYS 3 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.50 1tuz n LYS 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1tuz n GLU 4 N 0.00 0.00 -2.54 1.64 2.13 -1.26 -5.01 120.64 115.60 1tuz n GLU 4 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1tuz n GLU 4 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 1tuz n GLU 4 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1tuz n ARG 5 N 0.00 2.32 0.00 5.31 1.85 -1.26 -5.01 116.66 119.88 1tuz n ARG 5 Ca 0.00 -3.78 0.00 0.00 -1.00 0.00 0.00 57.85 53.07 1tuz n ARG 5 Cb 0.00 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 29.63 1tuz n ARG 5 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1tuz n GLY 6 N -0.45 -0.99 7.00 2.89 0.00 -1.26 -5.15 105.19 107.23 1tuz n GLY 6 Ca 0.22 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1tuz n GLY 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tuz n LEU 7 N 0.00 0.00 -4.87 0.99 4.77 -1.26 -4.65 117.00 111.98 1tuz n LEU 7 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1tuz n LEU 7 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1tuz n LEU 7 CO 0.00 0.00 0.72 0.27 -1.33 0.00 0.00 177.39 177.05 1tuz s ILE 8 N 0.00 4.58 0.00 -0.08 -4.36 -1.26 -4.77 121.20 115.30 1tuz s ILE 8 Ca 0.00 0.84 0.00 0.00 -0.26 0.00 0.00 60.65 61.23 1tuz s ILE 8 Cb 0.00 -3.82 0.00 0.00 1.25 0.00 0.00 42.46 39.89 1tuz s ILE 8 CO 0.00 -1.09 0.00 -1.20 0.24 0.00 0.00 174.94 172.89 1tuz n SER 9 N -2.79 0.00 0.00 4.36 7.64 -1.26 -4.83 113.62 116.74 1tuz n SER 9 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1tuz n SER 9 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1tuz n SER 9 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1tuz n PRO 10 N 0.00 0.00 0.05 1.43 -0.04 -1.26 -4.27 135.00 130.91 1tuz n PRO 10 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1tuz n PRO 10 Cb 0.00 -0.03 -0.15 0.00 -0.04 0.00 0.00 33.50 33.28 1tuz n PRO 10 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1tuz h SER 11 N 0.00 0.51 -0.99 3.54 0.02 -1.97 -2.87 113.55 111.78 1tuz h SER 11 Ca 0.00 -0.91 0.23 0.00 -0.84 0.00 0.00 61.79 60.28 1tuz h SER 11 Cb 0.00 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.29 1tuz h SER 11 CO 0.00 1.59 0.64 0.44 -1.14 0.00 0.00 176.83 178.36 1tuz h ASP 12 N -0.20 0.49 0.20 3.07 5.19 -1.93 1.44 116.42 124.68 1tuz h ASP 12 Ca -0.25 0.07 -0.28 0.00 -0.62 0.00 0.00 57.03 55.95 1tuz h ASP 12 Cb 1.83 -0.01 0.02 0.00 0.18 0.00 0.00 39.33 41.36 1tuz h ASP 12 CO 0.14 0.14 -1.18 0.15 -3.12 0.00 0.00 179.24 175.37 1tuz h PHE 13 N 0.46 0.91 -0.10 4.55 3.04 -1.74 -2.89 116.94 121.17 1tuz h PHE 13 Ca 0.55 -0.56 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1tuz h PHE 13 Cb 1.30 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.73 1tuz h PHE 13 CO -0.00 1.40 -0.03 0.00 -2.02 0.00 0.00 178.31 177.66 1tuz h ALA 14 N 0.40 0.13 -0.18 2.41 0.00 -0.32 -1.32 119.26 120.38 1tuz h ALA 14 Ca -0.16 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1tuz h ALA 14 Cb 1.85 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 1tuz h ALA 14 CO 0.22 -0.13 -0.28 0.37 0.00 0.00 0.00 179.25 179.43 1tuz h GLN 15 N -0.15 -0.31 0.14 0.00 5.75 0.17 1.48 115.11 122.19 1tuz h GLN 15 Ca 0.02 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1tuz h GLN 15 Cb 0.45 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 1tuz h GLN 15 CO 0.01 -0.21 -0.27 1.25 -2.65 0.00 0.00 178.83 176.96 1tuz h LEU 16 N -0.33 -0.77 -0.04 -2.39 6.46 -1.50 1.53 115.31 118.27 1tuz h LEU 16 Ca 0.11 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 1tuz h LEU 16 Cb 0.50 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 1tuz h LEU 16 CO -0.37 -0.37 -0.19 -0.61 -0.62 0.00 0.00 178.44 176.29 1tuz h GLN 17 N -0.50 -0.27 0.11 1.25 4.15 -0.54 -0.77 115.11 118.54 1tuz h GLN 17 Ca 0.02 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1tuz h GLN 17 Cb 0.52 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1tuz h GLN 17 CO -0.14 -0.18 -0.13 -0.22 -1.93 0.00 0.00 178.83 176.23 1tuz h LYS 18 N -0.28 -0.26 -1.14 1.69 3.64 0.24 -0.95 116.57 119.51 1tuz h LYS 18 Ca 0.07 0.02 0.32 0.00 -1.27 0.00 0.00 60.65 59.79 1tuz h LYS 18 Cb 0.38 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1tuz h LYS 18 CO -0.21 -0.17 0.80 1.88 -2.27 0.00 0.00 179.45 179.48 1tuz h TYR 19 N -0.27 0.12 0.00 1.91 0.05 0.26 1.12 116.97 120.17 1tuz h TYR 19 Ca 0.01 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.62 1tuz h TYR 19 Cb 0.27 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1tuz h TYR 19 CO -0.13 0.01 -0.82 1.98 -1.05 0.00 0.00 178.16 178.15 1tuz h MET 20 N 0.07 0.00 -1.24 4.88 4.05 0.17 -3.23 114.93 119.64 1tuz h MET 20 Ca 0.56 0.00 0.37 0.00 -0.28 0.00 0.00 59.70 60.35 1tuz h MET 20 Cb 2.09 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 32.79 1tuz h MET 20 CO -0.06 0.82 0.81 1.05 0.23 0.00 0.00 176.91 179.76 1tuz h GLU 21 N 0.00 0.18 0.00 0.39 -0.00 0.21 1.48 114.58 116.83 1tuz h GLU 21 Ca -0.01 -0.01 -0.10 0.00 -0.00 0.00 0.00 59.36 59.24 1tuz h GLU 21 Cb 1.50 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 30.20 1tuz h GLU 21 CO 0.11 0.12 -1.19 -0.92 -0.00 0.00 0.00 179.01 177.12 1tuz h TYR 22 N 0.18 0.00 -3.07 2.06 5.03 -1.61 -3.45 116.97 116.11 1tuz h TYR 22 Ca 0.72 0.00 -0.57 0.00 2.58 0.00 0.00 58.73 61.46 1tuz h TYR 22 Cb 2.21 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 40.45 1tuz h TYR 22 CO -0.00 0.34 0.96 0.45 -1.32 0.00 0.00 178.16 178.59 1tuz s SER 23 N -5.66 6.72 -0.02 -2.11 0.15 0.50 -4.85 113.70 108.43 1tuz s SER 23 Ca -0.01 1.33 0.14 0.00 0.70 0.00 0.00 55.95 58.11 1tuz s SER 23 Cb 0.09 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.28 1tuz s SER 23 CO 0.80 -1.02 1.35 0.35 1.20 0.00 0.00 173.24 175.92 1tuz n THR 24 N 6.04 1.17 -3.24 6.45 -2.24 -1.26 -4.90 114.28 116.29 1tuz n THR 24 Ca 0.15 -1.09 -0.19 0.00 -2.27 0.00 0.00 64.05 60.65 1tuz n THR 24 Cb 0.46 0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1tuz n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tuz s LYS 25 N -1.21 2.67 0.01 -0.78 1.02 -1.26 -5.12 119.74 115.07 1tuz s LYS 25 Ca 0.32 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1tuz s LYS 25 Cb 0.18 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1tuz s LYS 25 CO 0.19 -0.29 0.08 0.15 -0.92 0.00 0.00 175.35 174.56 1tuz s LYS 26 N -4.28 3.02 0.40 1.68 1.02 -1.26 -4.99 119.74 115.32 1tuz s LYS 26 Ca 0.52 -0.53 0.15 0.00 0.02 0.00 0.00 55.97 56.13 1tuz s LYS 26 Cb -0.07 -2.82 0.83 0.00 -0.52 0.00 0.00 37.83 35.24 1tuz s LYS 26 CO 0.31 0.63 1.87 -0.24 -0.92 0.00 0.00 175.35 177.00 1tuz h VAL 27 N 3.12 1.17 0.00 3.17 3.04 -1.97 -1.70 116.25 123.08 1tuz h VAL 27 Ca -0.49 -1.12 -0.04 0.00 -1.01 0.00 0.00 66.70 64.04 1tuz h VAL 27 Cb 1.18 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 1tuz h VAL 27 CO 0.63 0.31 -0.21 0.28 -1.01 0.00 0.00 177.57 177.57 1tuz h SER 28 N 0.00 0.00 -0.12 3.17 0.02 -1.94 0.36 113.55 115.04 1tuz h SER 28 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1tuz h SER 28 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1tuz h SER 28 CO 0.04 0.21 -0.38 0.44 -1.14 0.00 0.00 176.83 176.00 1tuz h ASP 29 N 0.00 0.54 0.66 3.07 5.19 -1.72 -2.95 116.42 121.20 1tuz h ASP 29 Ca -0.00 -0.61 -0.04 0.00 -0.62 0.00 0.00 57.03 55.76 1tuz h ASP 29 Cb 0.42 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1tuz h ASP 29 CO 0.03 1.05 -0.21 0.58 -3.12 0.00 0.00 179.24 177.57 1tuz h VAL 30 N 0.06 0.64 0.20 -1.35 2.07 -1.28 -2.89 116.25 113.70 1tuz h VAL 30 Ca -0.01 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1tuz h VAL 30 Cb 1.01 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1tuz h VAL 30 CO 0.08 0.21 -0.10 0.25 0.02 0.00 0.00 177.57 178.03 1tuz h LEU 31 N 0.00 -0.23 -1.61 2.57 5.85 -0.78 -1.74 115.31 119.37 1tuz h LEU 31 Ca -0.00 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1tuz h LEU 31 Cb 0.60 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1tuz h LEU 31 CO 0.03 -0.14 0.31 0.07 -0.34 0.00 0.00 178.44 178.37 1tuz h LYS 32 N -0.30 0.50 -0.65 1.25 2.10 -1.39 0.13 116.57 118.21 1tuz h LYS 32 Ca -0.03 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.64 1tuz h LYS 32 Cb 0.23 -0.11 -0.05 0.00 -0.90 0.00 0.00 32.23 31.40 1tuz h LYS 32 CO 0.05 0.33 0.38 -0.07 -2.00 0.00 0.00 179.45 178.13 1tuz h LEU 33 N 0.51 0.59 0.00 7.07 3.38 -1.17 0.76 115.31 126.44 1tuz h LEU 33 Ca 0.19 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1tuz h LEU 33 Cb 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1tuz h LEU 33 CO -0.05 0.39 -0.12 0.49 0.09 0.00 0.00 178.44 179.24 1tuz n PHE 34 N -4.76 0.68 -0.06 1.13 3.01 -0.32 0.05 117.46 117.19 1tuz n PHE 34 Ca 0.07 0.20 -0.05 0.00 1.01 0.00 0.00 57.45 58.68 1tuz n PHE 34 Cb 0.13 -0.80 -0.03 0.00 -0.01 0.00 0.00 39.48 38.78 1tuz n PHE 34 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1tuz h GLU 35 N 0.00 0.00 0.00 -1.08 4.39 0.11 -3.17 114.58 114.84 1tuz h GLU 35 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1tuz h GLU 35 Cb 0.69 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1tuz h GLU 35 CO 0.00 0.22 -1.35 -0.25 -1.16 0.00 0.00 179.01 176.47 1tuz n ASP 36 N -4.67 3.71 -4.62 1.42 9.92 0.24 -4.77 116.55 117.79 1tuz n ASP 36 Ca -0.07 -0.01 -0.33 0.00 -0.53 0.00 0.00 54.79 53.85 1tuz n ASP 36 Cb 0.21 0.45 0.12 0.00 -0.64 0.00 0.00 41.12 41.27 1tuz n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tuz n GLY 37 N 2.81 -0.55 0.45 0.44 0.00 0.11 -4.71 105.19 103.74 1tuz n GLY 37 Ca -0.09 -0.54 0.24 0.00 0.00 0.00 0.00 46.02 45.63 1tuz n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1tuz h GLU 38 N -1.05 0.00 0.00 1.61 -0.00 -1.91 1.43 114.58 114.65 1tuz h GLU 38 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 1tuz h GLU 38 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 1tuz h GLU 38 CO 0.43 0.00 0.00 -1.33 -0.00 0.00 0.00 179.01 178.11 1tuz n MET 39 N -3.45 0.04 0.00 1.06 0.00 -1.04 -0.49 117.12 113.25 1tuz n MET 39 Ca 0.14 0.45 0.15 0.00 0.00 0.00 0.00 57.70 58.45 1tuz n MET 39 Cb 1.03 -1.61 0.84 0.00 0.00 0.00 0.00 33.22 33.47 1tuz n MET 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1tuz n ALA 40 N -1.57 2.61 0.41 3.04 0.00 0.49 -3.12 120.51 122.37 1tuz n ALA 40 Ca 0.01 -0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.31 1tuz n ALA 40 Cb 0.07 -1.48 0.25 0.00 0.00 0.00 0.00 19.45 18.29 1tuz n ALA 40 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1tuz n LYS 41 N -1.07 0.01 -2.21 0.00 2.85 0.36 -2.14 118.16 115.95 1tuz n LYS 41 Ca 0.19 0.29 -0.20 0.00 -1.05 0.00 0.00 58.31 57.54 1tuz n LYS 41 Cb 0.18 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.08 1tuz n LYS 41 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1tuz n TYR 42 N -1.49 2.57 -4.28 5.58 4.01 -1.18 -5.01 117.16 117.36 1tuz n TYR 42 Ca 0.03 -2.33 -0.23 0.00 -0.16 0.00 0.00 57.90 55.21 1tuz n TYR 42 Cb 0.13 -0.29 -0.17 0.00 -0.31 0.00 0.00 39.34 38.71 1tuz n TYR 42 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1tuz s VAL 43 N -4.56 0.85 -0.06 -0.72 1.01 -0.91 -4.42 120.40 111.59 1tuz s VAL 43 Ca 0.46 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1tuz s VAL 43 Cb 0.40 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1tuz s VAL 43 CO 0.00 0.30 -0.23 0.00 0.00 0.00 0.00 175.10 175.18 1tuz s GLN 44 N 0.99 2.40 -1.28 2.72 0.00 0.50 -4.68 119.66 120.31 1tuz s GLN 44 Ca -0.09 -0.81 -0.07 0.00 -0.00 0.00 0.00 55.36 54.39 1tuz s GLN 44 Cb -0.15 -2.00 0.05 0.00 0.00 0.00 0.00 33.01 30.91 1tuz s GLN 44 CO 0.00 0.31 0.41 0.41 0.00 0.00 0.00 175.29 176.42 1tuz n GLY 45 N 3.09 -0.49 2.33 2.60 0.00 -1.26 0.19 105.19 111.64 1tuz n GLY 45 Ca -0.18 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1tuz n GLY 45 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tuz n ASP 46 N -2.23 -4.27 -4.43 1.61 2.03 -1.26 -4.99 116.55 103.01 1tuz n ASP 46 Ca -0.06 0.22 -0.21 0.00 0.52 0.00 0.00 54.79 55.25 1tuz n ASP 46 Cb 0.57 -2.54 -0.10 0.00 -0.72 0.00 0.00 41.12 38.32 1tuz n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tuz s ALA 47 N -2.25 2.38 0.08 -1.67 0.00 0.49 -4.25 121.76 116.54 1tuz s ALA 47 Ca 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 51.96 50.11 1tuz s ALA 47 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1tuz s ALA 47 CO 0.00 -0.03 -0.12 -1.50 0.00 0.00 0.00 175.76 174.11 1tuz s ILE 48 N -2.95 1.01 0.62 0.00 2.07 -0.69 0.19 121.20 121.44 1tuz s ILE 48 Ca 0.29 -1.38 0.03 0.00 -1.41 0.00 0.00 60.65 58.18 1tuz s ILE 48 Cb 0.03 -1.10 0.08 0.00 0.13 0.00 0.00 42.46 41.60 1tuz s ILE 48 CO 0.12 -0.34 0.85 -0.83 -1.91 0.00 0.00 174.94 172.84 1tuz s GLY 49 N -1.93 1.79 0.16 1.50 0.00 -1.26 0.16 107.32 107.75 1tuz s GLY 49 Ca -0.01 -1.70 -0.15 0.00 0.00 0.00 0.00 44.72 42.86 1tuz s GLY 49 CO 0.02 -1.27 1.77 -1.82 0.00 0.00 0.00 173.10 171.80 1tuz h TYR 50 N -0.11 0.33 -0.17 1.90 5.03 -1.96 -2.18 116.97 119.80 1tuz h TYR 50 Ca -0.37 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.01 1tuz h TYR 50 Cb 1.28 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 39.41 1tuz h TYR 50 CO 0.15 0.16 -0.23 1.49 -1.32 0.00 0.00 178.16 178.40 1tuz h GLU 51 N 0.37 -0.26 -0.40 1.82 4.81 -1.95 0.15 114.58 119.12 1tuz h GLU 51 Ca 0.18 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.54 1tuz h GLU 51 Cb 0.12 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1tuz h GLU 51 CO -0.15 -0.17 0.34 0.78 -0.73 0.00 0.00 179.01 179.08 1tuz h GLY 52 N -0.27 0.00 2.00 1.92 0.00 -1.78 0.34 103.07 105.28 1tuz h GLY 52 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1tuz h GLY 52 CO -0.33 0.00 -0.26 -2.75 0.00 0.00 0.00 176.54 173.20 1tuz h PHE 53 N 0.00 0.00 0.85 5.60 3.57 -0.08 -2.44 116.94 124.43 1tuz h PHE 53 Ca 0.19 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1tuz h PHE 53 Cb 0.86 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.61 1tuz h PHE 53 CO 0.00 0.26 -0.44 1.96 -2.23 0.00 0.00 178.31 177.86 1tuz h GLN 54 N 0.00 -1.14 0.00 1.11 1.08 -0.02 -2.04 115.11 114.10 1tuz h GLN 54 Ca -0.00 0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1tuz h GLN 54 Cb 0.58 0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1tuz h GLN 54 CO 0.03 -0.76 -0.04 -0.56 -0.95 0.00 0.00 178.83 176.56 1tuz h GLN 55 N -1.18 0.00 0.10 1.46 3.07 -1.62 -2.57 115.11 114.37 1tuz h GLN 55 Ca -0.12 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.64 1tuz h GLN 55 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.45 1tuz h GLN 55 CO 0.17 0.04 -0.19 0.35 0.09 0.00 0.00 178.83 179.30 1tuz h PHE 56 N 0.00 -0.49 -0.12 0.06 3.04 -0.98 0.56 116.94 119.01 1tuz h PHE 56 Ca -0.00 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.99 1tuz h PHE 56 Cb 0.08 0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.78 1tuz h PHE 56 CO 0.00 -0.27 0.29 -0.07 -2.02 0.00 0.00 178.31 176.24 1tuz h LEU 57 N -0.36 0.00 0.53 0.59 3.38 -0.95 1.51 115.31 120.01 1tuz h LEU 57 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1tuz h LEU 57 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1tuz h LEU 57 CO -0.10 0.00 -0.25 0.50 0.09 0.00 0.00 178.44 178.67 1tuz h LYS 58 N 0.00 -0.69 0.01 1.13 3.64 -0.89 -0.68 116.57 119.09 1tuz h LYS 58 Ca 0.06 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1tuz h LYS 58 Cb 0.64 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1tuz h LYS 58 CO -0.00 -0.38 -0.23 0.82 -2.27 0.00 0.00 179.45 177.39 1tuz h ILE 59 N -1.05 1.57 -0.06 2.00 2.04 -0.85 0.23 117.51 121.40 1tuz h ILE 59 Ca -0.07 -2.00 0.02 0.00 1.00 0.00 0.00 64.86 63.81 1tuz h ILE 59 Cb 0.62 2.86 -0.04 0.00 -0.74 0.00 0.00 36.82 39.51 1tuz h ILE 59 CO 0.12 0.54 -0.40 0.22 0.00 0.00 0.00 178.15 178.63 1tuz h TYR 60 N -0.57 -1.19 -0.23 1.37 3.20 0.19 0.10 116.97 119.85 1tuz h TYR 60 Ca -0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1tuz h TYR 60 Cb 1.01 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.81 1tuz h TYR 60 CO 0.19 -0.41 0.00 1.28 -1.64 0.00 0.00 178.16 177.58 1tuz n LEU 61 N -4.68 1.45 -2.36 2.82 4.77 -0.26 -4.86 117.00 113.89 1tuz n LEU 61 Ca -0.05 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1tuz n LEU 61 Cb 0.29 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1tuz n LEU 61 CO 0.07 0.33 0.00 1.21 -1.33 0.00 0.00 177.39 177.67 1tuz n GLU 62 N 0.20 -2.83 -2.94 3.23 0.00 0.35 -4.62 120.64 114.03 1tuz n GLU 62 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.93 1tuz n GLU 62 Cb 0.25 -4.31 -0.04 0.00 0.00 0.00 0.00 31.44 27.34 1tuz n GLU 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1tuz s VAL 63 N -1.88 4.78 -0.96 6.31 -7.23 0.57 -4.93 120.40 117.06 1tuz s VAL 63 Ca 0.00 0.66 0.27 0.00 -1.81 0.00 0.00 61.98 61.10 1tuz s VAL 63 Cb 0.00 -3.70 0.12 0.00 0.56 0.00 0.00 36.38 33.36 1tuz s VAL 63 CO 0.00 -0.44 1.65 -0.90 -0.31 0.00 0.00 175.10 175.10 1tuz n ASP 64 N -1.07 0.32 -3.25 4.85 5.75 -1.26 -4.52 116.55 117.37 1tuz n ASP 64 Ca 0.02 0.15 0.03 0.00 -0.01 0.00 0.00 54.79 54.98 1tuz n ASP 64 Cb 0.54 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 1tuz n ASP 64 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tuz s ASN 65 N -3.19 -0.31 0.02 -1.12 4.22 -1.26 -5.09 114.94 108.22 1tuz s ASN 65 Ca 0.12 0.36 -0.03 0.00 -2.14 0.00 0.00 52.86 51.17 1tuz s ASN 65 Cb 0.18 1.32 -0.04 0.00 1.28 0.00 0.00 41.25 43.99 1tuz s ASN 65 CO 0.62 -0.06 0.21 0.54 -2.04 0.00 0.00 177.10 176.38 1tuz s VAL 66 N 2.39 5.39 0.10 3.54 0.11 -1.26 -5.07 120.40 125.61 1tuz s VAL 66 Ca -0.01 -0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 58.56 1tuz s VAL 66 Cb -0.05 -3.57 -0.06 0.00 -1.53 0.00 0.00 36.38 31.17 1tuz s VAL 66 CO -0.15 0.26 1.15 -2.16 -3.33 0.00 0.00 175.10 170.86 1tuz s PRO 67 N -2.13 4.50 0.29 1.54 0.04 -1.26 -4.93 135.00 133.05 1tuz s PRO 67 Ca 0.30 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1tuz s PRO 67 Cb -0.13 -3.33 0.43 0.00 0.04 0.00 0.00 34.50 31.52 1tuz s PRO 67 CO 0.21 -0.12 1.81 -0.09 0.04 0.00 0.00 177.00 178.86 1tuz h ARG 68 N 6.13 0.72 -0.91 4.56 1.12 -1.97 -1.16 114.38 122.86 1tuz h ARG 68 Ca -0.43 -0.17 0.14 0.00 -1.11 0.00 0.00 59.98 58.41 1tuz h ARG 68 Cb 1.21 -0.10 -0.09 0.00 -0.01 0.00 0.00 29.97 30.99 1tuz h ARG 68 CO 0.77 0.71 0.53 0.45 -3.11 0.00 0.00 179.97 179.32 1tuz h HIS 69 N 0.69 0.94 -0.03 2.20 -0.00 -2.00 0.35 115.15 117.30 1tuz h HIS 69 Ca 0.14 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.41 1tuz h HIS 69 Cb 0.37 -0.28 0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1tuz h HIS 69 CO 0.02 0.29 -0.51 1.25 -0.00 0.00 0.00 177.93 178.98 1tuz h LEU 70 N 0.78 0.50 -2.31 2.43 5.85 -1.83 -2.95 115.31 117.78 1tuz h LEU 70 Ca 0.48 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1tuz h LEU 70 Cb 0.60 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1tuz h LEU 70 CO -0.32 1.15 0.19 0.28 -0.34 0.00 0.00 178.44 179.41 1tuz h SER 71 N -0.10 0.00 -0.01 1.25 0.02 0.02 1.44 113.55 116.18 1tuz h SER 71 Ca -0.06 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1tuz h SER 71 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1tuz h SER 71 CO 0.10 0.00 -0.15 0.25 -1.14 0.00 0.00 176.83 175.89 1tuz h LEU 72 N 0.00 0.15 -0.57 5.07 5.85 -0.24 -3.04 115.31 122.54 1tuz h LEU 72 Ca 0.06 -0.75 -0.16 0.00 0.84 0.00 0.00 57.88 57.87 1tuz h LEU 72 Cb 0.45 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1tuz h LEU 72 CO -0.00 0.88 -0.68 0.00 -0.34 0.00 0.00 178.44 178.30 1tuz h ALA 73 N 0.27 0.78 -0.68 1.25 0.00 -0.90 -2.93 119.26 117.05 1tuz h ALA 73 Ca -0.02 -0.60 0.11 0.00 0.00 0.00 0.00 54.91 54.40 1tuz h ALA 73 Cb 0.90 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1tuz h ALA 73 CO 0.03 0.79 0.27 -0.07 0.00 0.00 0.00 179.25 180.27 1tuz h LEU 74 N 0.13 0.27 -0.07 0.00 3.38 0.18 0.42 115.31 119.63 1tuz h LEU 74 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1tuz h LEU 74 Cb 1.22 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1tuz h LEU 74 CO 0.10 0.14 -0.01 0.15 0.09 0.00 0.00 178.44 178.91 1tuz h PHE 75 N 0.45 0.14 -0.10 1.13 3.57 -1.44 -2.76 116.94 117.93 1tuz h PHE 75 Ca 0.35 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.85 1tuz h PHE 75 Cb 0.46 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1tuz h PHE 75 CO -0.16 0.43 0.09 1.96 -2.23 0.00 0.00 178.31 178.39 1tuz h GLN 76 N -0.19 0.00 -1.25 1.11 4.20 -1.15 0.24 115.11 118.07 1tuz h GLN 76 Ca 0.02 0.00 0.36 0.00 0.06 0.00 0.00 58.65 59.09 1tuz h GLN 76 Cb 0.38 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 1tuz h GLN 76 CO 0.01 0.00 0.99 0.77 -0.67 0.00 0.00 178.83 179.92 1tuz h SER 77 N 0.00 0.00 0.00 1.46 0.02 0.13 -3.38 113.55 111.78 1tuz h SER 77 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1tuz h SER 77 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1tuz h SER 77 CO -0.00 0.00 0.00 0.33 -1.14 0.00 0.00 176.83 176.02 1tuz n PHE 78 N -3.94 -1.39 -2.94 3.45 7.35 -0.49 -4.81 117.46 114.69 1tuz n PHE 78 Ca 0.27 0.18 -0.01 0.00 -0.76 0.00 0.00 57.45 57.13 1tuz n PHE 78 Cb 1.39 0.78 -0.01 0.00 0.35 0.00 0.00 39.48 41.98 1tuz n PHE 78 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1tuz n GLU 79 N -2.70 -2.16 0.26 -4.13 2.13 0.73 -4.62 120.64 110.15 1tuz n GLU 79 Ca 0.00 1.90 0.15 0.00 0.66 0.00 0.00 57.16 59.87 1tuz n GLU 79 Cb 0.00 -2.69 0.69 0.00 0.27 0.00 0.00 31.44 29.71 1tuz n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1tuz h THR 80 N 4.05 0.08 0.04 6.31 1.03 -1.88 -2.26 112.91 120.28 1tuz h THR 80 Ca -0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1tuz h THR 80 Cb 0.57 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.20 1tuz h THR 80 CO 0.02 0.00 -0.02 1.23 -0.01 0.00 0.00 175.52 176.74 1tuz h GLY 81 N 0.00 -0.06 -1.67 2.99 0.00 -1.83 -3.50 103.07 99.00 1tuz h GLY 81 Ca 0.06 0.02 0.18 0.00 0.00 0.00 0.00 47.33 47.60 1tuz h GLY 81 CO -0.00 -0.02 -0.45 1.57 0.00 0.00 0.00 176.54 177.64 1tuz n HIS 82 N -2.19 -1.87 -1.23 5.60 -0.00 -0.85 -5.05 115.22 109.63 1tuz n HIS 82 Ca -0.01 0.98 0.00 0.00 0.46 0.00 0.00 57.72 59.15 1tuz n HIS 82 Cb 0.02 -1.70 0.00 0.00 -0.12 0.00 0.00 29.99 28.19 1tuz n HIS 82 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1tuz n LEU 84 N -0.10 4.05 -3.47 0.00 7.99 -1.26 -4.83 117.00 119.38 1tuz n LEU 84 Ca 0.00 -4.33 -0.28 0.00 -0.01 0.00 0.00 56.01 51.39 1tuz n LEU 84 Cb 0.00 -0.27 -0.11 0.00 -0.11 0.00 0.00 43.42 42.93 1tuz n LEU 84 CO 0.00 1.82 -0.30 0.20 -1.51 0.00 0.00 177.39 177.60 1tuz s ASN 85 N -3.51 2.44 -0.04 -1.43 0.01 -1.26 -5.00 114.94 106.15 1tuz s ASN 85 Ca 0.46 -2.67 -0.03 0.00 -0.71 0.00 0.00 52.86 49.90 1tuz s ASN 85 Cb 0.39 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 41.54 1tuz s ASN 85 CO 0.01 -0.24 0.05 -0.62 -1.51 0.00 0.00 177.10 174.79 1tuz n GLU 86 N 3.40 -0.31 -0.39 -0.60 -0.58 -1.26 -4.87 120.64 116.02 1tuz n GLU 86 Ca 0.20 0.59 0.07 0.00 -0.42 0.00 0.00 57.16 57.59 1tuz n GLU 86 Cb 0.41 -0.77 0.19 0.00 -0.57 0.00 0.00 31.44 30.70 1tuz n GLU 86 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1tuz n THR 87 N 0.92 2.13 -2.97 2.62 5.66 -1.26 -5.00 114.28 116.38 1tuz n THR 87 Ca -0.01 -2.66 -0.06 0.00 -3.05 0.00 0.00 64.05 58.28 1tuz n THR 87 Cb 0.37 -0.25 0.01 0.00 -1.55 0.00 0.00 70.33 68.90 1tuz n THR 87 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1tuz n ASN 88 N -1.19 -7.79 -4.15 1.09 5.15 -1.26 -4.96 115.26 102.15 1tuz n ASN 88 Ca 0.20 0.25 -0.39 0.00 -0.60 0.00 0.00 54.58 54.03 1tuz n ASN 88 Cb 0.73 -5.22 -0.08 0.00 -0.53 0.00 0.00 39.78 34.68 1tuz n ASN 88 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tuz s VAL 89 N -2.75 4.20 -0.87 3.44 1.01 -1.26 -4.80 120.40 119.37 1tuz s VAL 89 Ca 0.15 -2.88 0.13 0.00 0.00 0.00 0.00 61.98 59.37 1tuz s VAL 89 Cb -0.04 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1tuz s VAL 89 CO 0.77 -0.92 0.62 1.07 0.00 0.00 0.00 175.10 176.64 1tuz n THR 90 N 3.55 0.00 -2.74 3.92 5.66 -1.26 -4.76 114.28 118.65 1tuz n THR 90 Ca 0.10 -0.29 -0.06 0.00 -3.05 0.00 0.00 64.05 60.75 1tuz n THR 90 Cb 0.40 1.07 0.04 0.00 -1.55 0.00 0.00 70.33 70.29 1tuz n THR 90 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1tuz n LYS 91 N -0.76 0.61 -1.71 1.09 2.85 -1.26 -5.11 118.16 113.86 1tuz n LYS 91 Ca 0.04 -1.71 -0.43 0.00 -1.05 0.00 0.00 58.31 55.15 1tuz n LYS 91 Cb 0.23 -1.29 -0.03 0.00 -0.65 0.00 0.00 35.03 33.29 1tuz n LYS 91 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1tuz s ASP 92 N -0.51 5.66 0.07 -5.58 -1.08 -1.26 -4.94 116.67 109.03 1tuz s ASP 92 Ca 0.30 1.83 0.04 0.00 -0.52 0.00 0.00 52.55 54.21 1tuz s ASP 92 Cb 0.14 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 1tuz s ASP 92 CO -0.16 -1.80 -0.11 0.68 0.52 0.00 0.00 175.17 174.30 1tuz s VAL 93 N 7.57 0.90 0.13 1.11 -7.23 -1.26 -3.68 120.40 117.95 1tuz s VAL 93 Ca 0.94 -1.33 0.08 0.00 -1.81 0.00 0.00 61.98 59.86 1tuz s VAL 93 Cb -0.31 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1tuz s VAL 93 CO 0.35 -0.36 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.92 1tuz s VAL 94 N -1.61 1.64 0.21 1.32 1.01 0.42 -4.46 120.40 118.93 1tuz s VAL 94 Ca -0.02 -1.75 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 1tuz s VAL 94 Cb -0.08 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 1tuz s VAL 94 CO 0.01 -0.27 1.10 0.00 0.00 0.00 0.00 175.10 175.94 1tuz h LEU 96 N 4.74 0.24 -0.36 0.00 3.38 -1.96 -2.40 115.31 118.95 1tuz h LEU 96 Ca -0.45 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.08 1tuz h LEU 96 Cb 1.21 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1tuz h LEU 96 CO 0.71 1.20 -0.62 0.78 0.09 0.00 0.00 178.44 180.60 1tuz h ASN 97 N 0.04 0.79 -0.45 -0.43 2.35 -1.92 -0.91 115.58 115.06 1tuz h ASN 97 Ca -0.08 -0.45 -0.09 0.00 -0.55 0.00 0.00 56.30 55.13 1tuz h ASN 97 Cb 1.89 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 40.01 1tuz h ASN 97 CO 0.17 1.22 -0.06 0.44 -1.65 0.00 0.00 177.43 177.55 1tuz h ASP 98 N 0.51 0.83 0.42 5.81 5.19 -1.96 -2.28 116.42 124.94 1tuz h ASP 98 Ca -0.01 -0.34 -0.07 0.00 -0.62 0.00 0.00 57.03 56.00 1tuz h ASP 98 Cb 1.21 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 1tuz h ASP 98 CO 0.12 0.97 -0.31 0.58 -3.12 0.00 0.00 179.24 177.48 1tuz h VAL 99 N 0.67 1.07 -0.08 -1.35 2.07 -1.36 -1.77 116.25 115.51 1tuz h VAL 99 Ca 0.12 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 1tuz h VAL 99 Cb 0.58 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1tuz h VAL 99 CO 0.03 0.30 -0.33 -1.28 0.02 0.00 0.00 177.57 176.32 1tuz h SER 100 N 0.00 0.15 0.16 0.57 0.87 -0.61 0.35 113.55 115.03 1tuz h SER 100 Ca -0.00 -0.05 -0.28 0.00 -1.23 0.00 0.00 61.79 60.23 1tuz h SER 100 Cb 0.60 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1tuz h SER 100 CO 0.04 0.47 -1.15 0.00 -0.53 0.00 0.00 176.83 175.66 1tuz h TYR 102 N 0.29 -0.75 0.00 0.00 3.20 -0.95 -2.79 116.97 115.97 1tuz h TYR 102 Ca -0.15 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.68 1tuz h TYR 102 Cb 1.82 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 40.33 1tuz h TYR 102 CO 0.10 -0.42 -0.09 0.74 -1.64 0.00 0.00 178.16 176.85 1tuz h PHE 103 N -0.95 0.00 -0.01 -3.82 0.04 -1.05 -1.17 116.94 109.97 1tuz h PHE 103 Ca -0.08 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1tuz h PHE 103 Cb 0.66 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.81 1tuz h PHE 103 CO -0.01 0.09 0.01 1.03 -0.60 0.00 0.00 178.31 178.83 1tuz h SER 104 N 0.00 0.02 0.19 2.17 0.87 -1.08 -0.59 113.55 115.13 1tuz h SER 104 Ca -0.00 -0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.34 1tuz h SER 104 Cb 0.19 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1tuz h SER 104 CO 0.01 0.01 -0.88 0.25 -0.53 0.00 0.00 176.83 175.70 1tuz h LEU 105 N 0.02 0.65 0.03 2.23 7.12 -1.05 -2.24 115.31 122.06 1tuz h LEU 105 Ca 0.01 -0.48 0.01 0.00 0.13 0.00 0.00 57.88 57.55 1tuz h LEU 105 Cb 0.00 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 39.90 1tuz h LEU 105 CO -0.00 1.26 -0.38 -0.07 -0.13 0.00 0.00 178.44 179.12 1tuz h LEU 106 N 0.32 -1.17 -1.63 2.25 -0.00 -1.06 0.88 115.31 114.89 1tuz h LEU 106 Ca -0.07 0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1tuz h LEU 106 Cb 1.50 0.44 -0.01 0.00 -0.00 0.00 0.00 40.66 42.59 1tuz h LEU 106 CO 0.16 -0.38 0.15 1.05 -0.00 0.00 0.00 178.44 179.42 1tuz h GLU 107 N -0.50 0.40 -1.48 1.13 4.11 -1.60 -2.24 114.58 114.40 1tuz h GLU 107 Ca 0.00 -0.03 -0.70 0.00 0.07 0.00 0.00 59.36 58.70 1tuz h GLU 107 Cb 0.53 -0.08 -0.31 0.00 0.50 0.00 0.00 28.75 29.38 1tuz h GLU 107 CO -0.24 0.30 0.61 0.41 0.07 0.00 0.00 179.01 180.16 1tuz n GLY 108 N -1.38 5.79 2.49 1.06 0.00 -0.28 -4.78 105.19 108.09 1tuz n GLY 108 Ca 0.01 -2.47 -0.30 0.00 0.00 0.00 0.00 46.02 43.26 1tuz n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tuz n GLY 109 N -0.68 4.59 3.60 -0.02 0.00 0.29 -4.76 105.19 108.21 1tuz n GLY 109 Ca 0.54 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1tuz n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tuz s ARG 110 N -1.63 3.18 0.69 1.61 1.81 -1.26 -4.94 118.95 118.40 1tuz s ARG 110 Ca 0.58 2.07 -0.11 0.00 -1.72 0.00 0.00 55.73 56.54 1tuz s ARG 110 Cb 0.33 -4.37 0.00 0.00 -0.45 0.00 0.00 34.95 30.47 1tuz s ARG 110 CO -0.19 -2.05 1.06 -1.25 -0.68 0.00 0.00 175.30 172.18 1tuz s PRO 111 N 6.27 2.97 0.06 3.54 0.04 -1.26 -4.98 135.00 141.63 1tuz s PRO 111 Ca 1.00 0.97 0.22 0.00 0.04 0.00 0.00 61.00 63.23 1tuz s PRO 111 Cb -0.34 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.04 1tuz s PRO 111 CO 0.35 -1.08 0.76 -1.91 0.04 0.00 0.00 177.00 175.17 1tuz n GLU 112 N -3.06 0.57 -3.15 4.56 2.13 -1.26 -4.84 120.64 115.59 1tuz n GLU 112 Ca 0.08 -0.06 0.05 0.00 0.66 0.00 0.00 57.16 57.89 1tuz n GLU 112 Cb 0.53 -1.63 -0.01 0.00 0.27 0.00 0.00 31.44 30.61 1tuz n GLU 112 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1tuz s ASP 113 N -4.67 -1.04 0.45 4.31 -1.08 -1.26 -5.16 116.67 108.22 1tuz s ASP 113 Ca -0.03 0.31 -0.15 0.00 -0.52 0.00 0.00 52.55 52.15 1tuz s ASP 113 Cb 0.13 1.73 -0.08 0.00 -1.46 0.00 0.00 42.92 43.24 1tuz s ASP 113 CO 0.85 -0.19 0.88 -0.54 0.52 0.00 0.00 175.17 176.69 1tuz s LYS 114 N 2.89 3.94 0.54 4.34 1.02 -1.26 -5.08 119.74 126.14 1tuz s LYS 114 Ca 0.15 0.79 0.08 0.00 0.02 0.00 0.00 55.97 57.01 1tuz s LYS 114 Cb -0.09 -2.26 0.06 0.00 -0.52 0.00 0.00 37.83 35.02 1tuz s LYS 114 CO -0.21 -0.11 0.61 -0.51 -0.92 0.00 0.00 175.35 174.21 1tuz s LEU 115 N -3.75 3.01 -0.07 3.17 1.43 -1.26 -5.13 118.68 116.08 1tuz s LEU 115 Ca 0.56 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1tuz s LEU 115 Cb -0.10 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.61 1tuz s LEU 115 CO 0.27 -1.18 0.14 -1.61 0.23 0.00 0.00 176.35 174.20 1tuz s GLU 116 N -4.48 0.07 -0.92 1.70 8.01 -1.26 -5.07 118.70 116.75 1tuz s GLU 116 Ca 0.51 0.41 -0.01 0.00 0.01 0.00 0.00 54.97 55.88 1tuz s GLU 116 Cb -0.04 -0.21 0.27 0.00 -4.31 0.00 0.00 34.13 29.83 1tuz s GLU 116 CO 0.32 -0.20 1.09 0.91 0.01 0.00 0.00 175.26 177.38 1tuz n TRP 117 N 4.49 3.33 0.00 1.61 8.01 -1.26 -5.38 117.44 128.25 1tuz n TRP 117 Ca -0.21 -3.48 0.00 0.00 -1.31 0.00 0.00 57.50 52.50 1tuz n TRP 117 Cb 0.51 -1.07 0.00 0.00 -2.01 0.00 0.00 31.31 28.74 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13