#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 4.81 -1.00 3.04 0.00 -1.26 -5.00 120.51 121.10 1tuz n ALA 2 Ca 0.00 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.74 1tuz n ALA 2 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.21 0.00 -1.64 0.00 3.00 -1.26 -5.03 118.16 113.03 1tuz n LYS 3 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1tuz n LYS 3 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 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 -4.64 0.00 1.64 2.13 -1.26 -5.03 120.64 113.48 1tuz n GLU 4 Ca 0.00 3.48 0.00 0.00 0.66 0.00 0.00 57.16 61.30 1tuz n GLU 4 Cb 0.00 -3.98 0.00 0.00 0.27 0.00 0.00 31.44 27.73 1tuz n GLU 4 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1tuz n ARG 5 N -1.18 0.00 -0.07 5.31 0.63 -1.26 -5.11 116.66 114.98 1tuz n ARG 5 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1tuz n ARG 5 Cb 0.08 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.99 1tuz n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tuz n GLY 6 N 0.00 0.53 0.00 5.14 0.00 -1.26 -5.16 105.19 104.44 1tuz n GLY 6 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.68 0.99 4.32 -1.26 -5.04 117.00 111.33 1tuz n LEU 7 Ca 0.00 0.00 -0.61 0.00 -0.02 0.00 0.00 56.01 55.38 1tuz n LEU 7 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1tuz n LEU 7 CO 0.00 0.00 1.08 2.30 -1.22 0.00 0.00 177.39 179.55 1tuz n ILE 8 N 0.00 0.09 -0.47 -0.08 -5.35 -1.26 -4.88 119.36 107.42 1tuz n ILE 8 Ca 0.00 -0.02 -0.16 0.00 -0.27 0.00 0.00 62.75 62.30 1tuz n ILE 8 Cb 0.00 -0.68 0.15 0.00 -1.74 0.00 0.00 39.64 37.38 1tuz n ILE 8 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1tuz n SER 9 N 3.82 -3.14 0.00 7.28 2.88 -1.26 -4.53 113.62 118.67 1tuz n SER 9 Ca 0.26 -0.46 0.11 0.00 -1.33 0.00 0.00 58.87 57.46 1tuz n SER 9 Cb 0.05 -0.75 0.59 0.00 -0.75 0.00 0.00 64.21 63.35 1tuz n SER 9 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1tuz n PRO 10 N -1.63 0.38 -0.07 -1.46 -0.04 -1.26 -2.09 135.00 128.84 1tuz n PRO 10 Ca 0.07 0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1tuz n PRO 10 Cb 0.31 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.00 0.66 3.54 0.02 -2.00 -2.99 113.55 112.78 1tuz h SER 11 Ca 0.00 -0.98 -0.17 0.00 -0.84 0.00 0.00 61.79 59.80 1tuz h SER 11 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1tuz h SER 11 CO 0.00 0.98 -0.77 0.44 -1.14 0.00 0.00 176.83 176.35 1tuz h ASP 12 N -0.99 0.10 -0.76 3.07 5.19 -1.86 -3.05 116.42 118.13 1tuz h ASP 12 Ca -0.00 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1tuz h ASP 12 Cb 0.98 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.42 1tuz h ASP 12 CO 0.00 0.82 0.50 0.15 -3.12 0.00 0.00 179.24 177.59 1tuz h PHE 13 N 0.05 0.94 -0.01 4.55 3.57 -1.53 -0.93 116.94 123.58 1tuz h PHE 13 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1tuz h PHE 13 Cb 1.35 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1tuz h PHE 13 CO 0.01 0.59 0.00 0.00 -2.23 0.00 0.00 178.31 176.68 1tuz h ALA 14 N 1.28 0.01 -0.30 2.41 0.00 -1.49 0.13 119.26 121.31 1tuz h ALA 14 Ca 0.28 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1tuz h ALA 14 Cb -0.10 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 1tuz h ALA 14 CO -0.07 -0.39 -0.25 0.37 0.00 0.00 0.00 179.25 178.92 1tuz h GLN 15 N -0.18 -0.22 -0.50 0.00 -0.00 -1.37 0.44 115.11 113.29 1tuz h GLN 15 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1tuz h GLN 15 Cb 0.20 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.70 1tuz h GLN 15 CO -0.00 -0.14 0.21 1.25 0.00 0.00 0.00 178.83 180.15 1tuz h LEU 16 N -0.22 0.64 0.69 -2.39 5.85 -1.07 0.19 115.31 119.00 1tuz h LEU 16 Ca 0.16 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1tuz h LEU 16 Cb 0.47 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1tuz h LEU 16 CO -0.43 0.57 -0.33 -0.61 -0.34 0.00 0.00 178.44 177.30 1tuz h GLN 17 N 0.71 -0.89 0.00 1.25 4.15 0.21 1.38 115.11 121.92 1tuz h GLN 17 Ca 0.17 0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1tuz h GLN 17 Cb 0.12 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1tuz h GLN 17 CO -0.02 -0.58 -0.02 -0.22 -1.93 0.00 0.00 178.83 176.06 1tuz h LYS 18 N -0.95 0.00 0.07 1.69 3.64 -0.03 1.70 116.57 122.68 1tuz h LYS 18 Ca -0.09 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.07 1tuz h LYS 18 Cb 0.72 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1tuz h LYS 18 CO 0.15 0.02 -0.88 1.88 -2.27 0.00 0.00 179.45 178.35 1tuz h TYR 19 N 0.00 0.76 0.08 1.91 -1.99 -0.30 -3.23 116.97 114.20 1tuz h TYR 19 Ca -0.00 -0.46 -0.18 0.00 2.00 0.00 0.00 58.73 60.09 1tuz h TYR 19 Cb 0.03 -0.07 0.02 0.00 2.00 0.00 0.00 36.73 38.72 1tuz h TYR 19 CO 0.00 1.31 -0.75 0.52 -0.00 0.00 0.00 178.16 179.23 1tuz h MET 20 N -0.00 0.37 -0.83 4.88 2.86 0.27 -2.86 114.93 119.62 1tuz h MET 20 Ca -0.13 -0.51 0.20 0.00 -2.06 0.00 0.00 59.70 57.21 1tuz h MET 20 Cb 1.60 0.17 -0.15 0.00 0.06 0.00 0.00 31.60 33.28 1tuz h MET 20 CO 0.17 1.19 0.02 1.05 1.06 0.00 0.00 176.91 180.40 1tuz h GLU 21 N -0.21 0.08 0.00 1.72 4.11 0.24 0.87 114.58 121.39 1tuz h GLU 21 Ca -0.12 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.17 1tuz h GLU 21 Cb 1.52 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1tuz h GLU 21 CO 0.14 0.06 -0.65 -0.92 0.07 0.00 0.00 179.01 177.71 1tuz h TYR 22 N 0.09 0.00 -4.08 2.06 3.20 -1.64 -3.44 116.97 113.15 1tuz h TYR 22 Ca 0.47 0.00 -0.47 0.00 3.14 0.00 0.00 58.73 61.87 1tuz h TYR 22 Cb 0.87 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.16 1tuz h TYR 22 CO -0.45 0.65 0.38 0.45 -1.64 0.00 0.00 178.16 177.56 1tuz s SER 23 N -6.78 6.38 -0.00 -2.11 0.15 0.30 -4.96 113.70 106.68 1tuz s SER 23 Ca -0.01 1.88 0.01 0.00 0.70 0.00 0.00 55.95 58.53 1tuz s SER 23 Cb 0.12 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1tuz s SER 23 CO 0.76 -0.75 0.73 0.35 1.20 0.00 0.00 173.24 175.54 1tuz n THR 24 N -1.01 0.44 -1.28 6.45 -2.24 -1.26 -4.88 114.28 110.49 1tuz n THR 24 Ca 0.09 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 1tuz n THR 24 Cb 0.53 0.75 0.15 0.00 -2.10 0.00 0.00 70.33 69.66 1tuz n THR 24 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tuz n LYS 25 N -0.24 -1.61 -4.21 -0.78 4.76 -1.26 -5.09 118.16 109.73 1tuz n LYS 25 Ca 0.01 -1.31 -0.18 0.00 -2.87 0.00 0.00 58.31 53.96 1tuz n LYS 25 Cb 0.42 -1.02 -0.15 0.00 -1.84 0.00 0.00 35.03 32.44 1tuz n LYS 25 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1tuz s LYS 26 N -4.85 0.62 0.49 1.97 1.02 -1.26 -5.01 119.74 112.71 1tuz s LYS 26 Ca 0.50 -0.19 0.28 0.00 0.02 0.00 0.00 55.97 56.58 1tuz s LYS 26 Cb -0.03 -0.61 1.16 0.00 -0.52 0.00 0.00 37.83 37.83 1tuz s LYS 26 CO 0.37 0.07 1.92 -0.24 -0.92 0.00 0.00 175.35 176.55 1tuz h VAL 27 N 5.37 0.35 -0.93 3.17 3.04 -1.98 -2.75 116.25 122.52 1tuz h VAL 27 Ca -0.32 -0.82 0.05 0.00 -1.01 0.00 0.00 66.70 64.59 1tuz h VAL 27 Cb 1.17 1.62 -0.06 0.00 -2.01 0.00 0.00 31.29 32.01 1tuz h VAL 27 CO 0.49 0.13 0.60 0.77 -1.01 0.00 0.00 177.57 178.55 1tuz h SER 28 N 0.00 0.98 0.34 3.17 4.64 -1.97 1.54 113.55 122.25 1tuz h SER 28 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1tuz h SER 28 Cb 0.61 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1tuz h SER 28 CO 0.02 0.65 -0.91 0.44 -0.87 0.00 0.00 176.83 176.16 1tuz h ASP 29 N 1.13 0.51 0.62 4.97 3.32 -1.93 -2.59 116.42 122.46 1tuz h ASP 29 Ca 0.39 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1tuz h ASP 29 Cb 0.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1tuz h ASP 29 CO -0.14 1.19 -0.53 0.58 -1.72 0.00 0.00 179.24 178.62 1tuz h VAL 30 N 0.23 1.30 0.49 -1.35 2.07 -1.10 -1.64 116.25 116.25 1tuz h VAL 30 Ca -0.07 -1.86 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 1tuz h VAL 30 Cb 1.54 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1tuz h VAL 30 CO 0.16 0.52 -0.24 -0.07 0.02 0.00 0.00 177.57 177.96 1tuz h LEU 31 N 0.00 -0.56 -2.33 2.57 -0.00 0.23 -2.63 115.31 112.59 1tuz h LEU 31 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1tuz h LEU 31 Cb 0.98 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1tuz h LEU 31 CO 0.07 -0.27 0.09 0.07 -0.00 0.00 0.00 178.44 178.40 1tuz h LYS 32 N -0.92 0.00 -0.24 1.13 2.10 -1.50 0.57 116.57 117.70 1tuz h LYS 32 Ca -0.07 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 1tuz h LYS 32 Cb 0.51 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.83 1tuz h LYS 32 CO 0.11 0.00 -0.01 -0.07 -2.00 0.00 0.00 179.45 177.48 1tuz h LEU 33 N 0.00 0.43 0.00 7.07 3.38 -1.01 0.12 115.31 125.30 1tuz h LEU 33 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1tuz h LEU 33 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1tuz h LEU 33 CO 0.00 0.65 -0.20 0.49 0.09 0.00 0.00 178.44 179.48 1tuz n PHE 34 N -4.62 0.45 -0.05 1.13 3.01 0.06 0.60 117.46 118.03 1tuz n PHE 34 Ca -0.04 0.13 -0.01 0.00 1.01 0.00 0.00 57.45 58.54 1tuz n PHE 34 Cb 0.26 -0.65 -0.00 0.00 -0.01 0.00 0.00 39.48 39.07 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 -0.88 -3.29 114.58 113.72 1tuz h GLU 35 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1tuz h GLU 35 Cb 0.63 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.17 1tuz h GLU 35 CO 0.00 0.00 -0.58 -3.47 -1.16 0.00 0.00 179.01 173.80 1tuz n ASP 36 N -4.70 0.86 0.00 1.42 -0.08 0.31 -4.81 116.55 109.55 1tuz n ASP 36 Ca -0.02 -2.38 0.00 0.00 -1.51 0.00 0.00 54.79 50.88 1tuz n ASP 36 Cb 0.07 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.22 1tuz n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1tuz n GLY 37 N -0.20 2.63 0.18 0.27 0.00 0.20 -4.93 105.19 103.34 1tuz n GLY 37 Ca 0.06 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 44.17 1tuz n GLY 37 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1tuz h GLU 38 N 0.00 0.00 -0.25 1.61 4.57 -1.81 -2.99 114.58 115.72 1tuz h GLU 38 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1tuz h GLU 38 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1tuz h GLU 38 CO 0.00 0.33 0.00 -1.33 -1.18 0.00 0.00 179.01 176.83 1tuz n MET 39 N -3.23 1.39 0.00 1.92 2.81 -0.87 -3.14 117.12 116.00 1tuz n MET 39 Ca 0.02 -0.53 0.13 0.00 -1.81 0.00 0.00 57.70 55.51 1tuz n MET 39 Cb 0.62 -1.18 0.36 0.00 -0.71 0.00 0.00 33.22 32.31 1tuz n MET 39 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tuz n ALA 40 N -0.05 2.87 0.18 3.04 0.00 -1.13 -3.63 120.51 121.78 1tuz n ALA 40 Ca 0.05 -0.48 0.11 0.00 0.00 0.00 0.00 53.44 53.12 1tuz n ALA 40 Cb 0.16 -1.07 0.10 0.00 0.00 0.00 0.00 19.45 18.64 1tuz n ALA 40 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1tuz h LYS 41 N 2.16 0.00 -0.83 0.00 2.10 -1.77 -3.28 116.57 114.94 1tuz h LYS 41 Ca 0.00 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.06 1tuz h LYS 41 Cb 0.58 0.00 -0.36 0.00 -0.90 0.00 0.00 32.23 31.55 1tuz h LYS 41 CO 0.00 0.03 -0.14 0.66 -2.00 0.00 0.00 179.45 178.01 1tuz n TYR 42 N -2.97 2.88 -5.03 0.07 4.02 -1.24 -4.97 117.16 109.92 1tuz n TYR 42 Ca 0.02 -2.51 -0.29 0.00 -0.01 0.00 0.00 57.90 55.11 1tuz n TYR 42 Cb 0.56 -0.78 -0.16 0.00 -0.02 0.00 0.00 39.34 38.93 1tuz n TYR 42 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1tuz s VAL 43 N -4.64 1.71 -0.80 -0.72 1.01 -1.24 -4.36 120.40 111.36 1tuz s VAL 43 Ca 0.56 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1tuz s VAL 43 Cb 0.45 -1.46 0.21 0.00 0.00 0.00 0.00 36.38 35.58 1tuz s VAL 43 CO 0.02 0.48 0.71 -1.10 0.00 0.00 0.00 175.10 175.21 1tuz s GLN 44 N -0.05 3.38 3.96 2.72 -0.21 0.20 -4.94 119.66 124.72 1tuz s GLN 44 Ca -0.04 -2.57 0.00 0.00 0.02 0.00 0.00 55.36 52.77 1tuz s GLN 44 Cb -0.13 -4.25 0.00 0.00 1.00 0.00 0.00 33.01 29.64 1tuz s GLN 44 CO 0.03 -1.26 0.00 0.41 -2.12 0.00 0.00 175.29 172.35 1tuz n GLY 45 N 3.69 1.10 0.00 3.09 0.00 -1.26 -0.91 105.19 110.91 1tuz n GLY 45 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 7.48 1.89 -4.05 1.61 -0.08 -1.26 -5.00 116.55 117.14 1tuz n ASP 46 Ca 0.00 -1.91 -0.19 0.00 -1.51 0.00 0.00 54.79 51.18 1tuz n ASP 46 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1tuz n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1tuz s ALA 47 N -0.91 0.86 0.16 -1.67 0.00 -0.09 -3.94 121.76 116.17 1tuz s ALA 47 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1tuz s ALA 47 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1tuz s ALA 47 CO 0.00 0.19 0.04 -1.50 0.00 0.00 0.00 175.76 174.49 1tuz s ILE 48 N -0.39 3.97 0.87 0.00 2.07 -0.54 0.63 121.20 127.81 1tuz s ILE 48 Ca 0.03 -1.26 -0.13 0.00 -1.41 0.00 0.00 60.65 57.88 1tuz s ILE 48 Cb -0.05 -2.99 0.13 0.00 0.13 0.00 0.00 42.46 39.69 1tuz s ILE 48 CO -0.00 -0.07 1.23 -0.83 -1.91 0.00 0.00 174.94 173.36 1tuz s GLY 49 N -2.88 1.69 0.27 1.50 0.00 -1.26 -0.98 107.32 105.66 1tuz s GLY 49 Ca 0.28 -0.95 0.10 0.00 0.00 0.00 0.00 44.72 44.14 1tuz s GLY 49 CO 0.20 -0.34 1.62 -1.82 0.00 0.00 0.00 173.10 172.75 1tuz h TYR 50 N -1.27 0.04 0.07 1.90 3.20 -1.96 -2.78 116.97 116.16 1tuz h TYR 50 Ca -0.45 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.40 1tuz h TYR 50 Cb 1.28 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1tuz h TYR 50 CO -0.37 0.62 -0.03 1.49 -1.64 0.00 0.00 178.16 178.23 1tuz h GLU 51 N 0.02 -0.09 -0.38 1.82 4.81 -1.93 -3.11 114.58 115.72 1tuz h GLU 51 Ca -0.01 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1tuz h GLU 51 Cb 1.07 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1tuz h GLU 51 CO 0.08 0.44 0.29 0.78 -0.73 0.00 0.00 179.01 179.87 1tuz h GLY 52 N -0.67 0.00 2.00 1.92 0.00 -1.84 0.25 103.07 104.73 1tuz h GLY 52 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1tuz h GLY 52 CO 0.01 0.00 -0.22 -2.75 0.00 0.00 0.00 176.54 173.58 1tuz h PHE 53 N 0.00 0.00 0.63 5.60 3.57 -1.42 -2.92 116.94 122.39 1tuz h PHE 53 Ca 0.18 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1tuz h PHE 53 Cb 0.77 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.51 1tuz h PHE 53 CO 0.00 0.22 -0.30 1.96 -2.23 0.00 0.00 178.31 177.96 1tuz h GLN 54 N 0.00 -0.81 -0.32 1.11 1.08 -0.49 -2.22 115.11 113.45 1tuz h GLN 54 Ca -0.00 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.34 1tuz h GLN 54 Cb 0.48 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1tuz h GLN 54 CO 0.03 -0.53 0.23 -0.56 -0.95 0.00 0.00 178.83 177.05 1tuz h GLN 55 N -0.87 0.02 0.14 1.46 3.07 -1.60 -2.01 115.11 115.32 1tuz h GLN 55 Ca -0.09 -0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.66 1tuz h GLN 55 Cb 0.65 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.19 1tuz h GLN 55 CO 0.14 0.01 -0.20 0.35 0.09 0.00 0.00 178.83 179.23 1tuz h PHE 56 N 0.02 -0.52 -0.03 0.06 3.04 -1.22 0.30 116.94 118.58 1tuz h PHE 56 Ca 0.15 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.12 1tuz h PHE 56 Cb 0.58 0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.30 1tuz h PHE 56 CO -0.00 -0.29 0.08 -0.07 -2.02 0.00 0.00 178.31 176.01 1tuz h LEU 57 N -0.39 0.00 0.56 0.59 3.38 -1.06 1.25 115.31 119.63 1tuz h LEU 57 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1tuz h LEU 57 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1tuz h LEU 57 CO -0.09 0.00 -0.27 0.50 0.09 0.00 0.00 178.44 178.67 1tuz h LYS 58 N 0.00 -0.72 -0.03 1.13 1.63 -0.80 -1.60 116.57 116.18 1tuz h LYS 58 Ca 0.02 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1tuz h LYS 58 Cb 0.18 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1tuz h LYS 58 CO -0.00 -0.43 -0.12 0.82 -3.45 0.00 0.00 179.45 176.28 1tuz h ILE 59 N -1.12 1.49 0.00 2.00 2.04 -0.67 0.23 117.51 121.48 1tuz h ILE 59 Ca -0.08 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1tuz h ILE 59 Cb 0.62 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1tuz h ILE 59 CO 0.13 0.44 0.00 0.00 0.00 0.00 0.00 178.15 178.71 1tuz n TYR 60 N -4.65 0.00 0.66 1.37 9.36 0.42 -1.01 117.16 123.31 1tuz n TYR 60 Ca -0.09 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.21 1tuz n TYR 60 Cb 0.39 -0.32 0.37 0.00 -0.63 0.00 0.00 39.34 39.15 1tuz n TYR 60 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1tuz n LEU 61 N -1.96 0.00 -0.49 2.98 4.77 -0.60 -4.75 117.00 116.95 1tuz n LEU 61 Ca 0.00 0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1tuz n LEU 61 Cb 0.00 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1tuz n LEU 61 CO 0.00 -0.18 -0.06 1.21 -1.33 0.00 0.00 177.39 177.03 1tuz n GLU 62 N -1.38 -1.59 -1.75 3.23 2.13 0.64 -4.85 120.64 117.07 1tuz n GLU 62 Ca 0.06 0.68 -0.33 0.00 0.66 0.00 0.00 57.16 58.24 1tuz n GLU 62 Cb 0.15 -4.99 0.05 0.00 0.27 0.00 0.00 31.44 26.92 1tuz n GLU 62 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1tuz s VAL 63 N -1.66 3.37 -0.80 6.31 -7.23 -0.18 -4.89 120.40 115.32 1tuz s VAL 63 Ca 0.00 0.61 0.26 0.00 -1.81 0.00 0.00 61.98 61.04 1tuz s VAL 63 Cb 0.00 -3.14 0.15 0.00 0.56 0.00 0.00 36.38 33.95 1tuz s VAL 63 CO 0.00 -0.42 1.59 0.47 -0.31 0.00 0.00 175.10 176.42 1tuz n ASP 64 N -2.49 0.56 -3.23 4.85 9.92 -1.26 -4.53 116.55 120.37 1tuz n ASP 64 Ca 0.10 0.26 0.04 0.00 -0.53 0.00 0.00 54.79 54.65 1tuz n ASP 64 Cb 0.52 -0.22 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 1tuz n ASP 64 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1tuz s ASN 65 N -3.85 -0.26 0.09 -2.24 4.22 -1.26 -5.07 114.94 106.56 1tuz s ASN 65 Ca 0.10 0.30 -0.05 0.00 -2.14 0.00 0.00 52.86 51.06 1tuz s ASN 65 Cb 0.15 1.27 -0.05 0.00 1.28 0.00 0.00 41.25 43.90 1tuz s ASN 65 CO 0.64 -0.05 0.33 0.54 -2.04 0.00 0.00 177.10 176.53 1tuz s VAL 66 N 2.41 5.21 0.22 3.54 0.11 -1.26 -5.07 120.40 125.56 1tuz s VAL 66 Ca -0.02 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 1tuz s VAL 66 Cb -0.05 -3.61 -0.08 0.00 -1.53 0.00 0.00 36.38 31.11 1tuz s VAL 66 CO -0.15 0.17 1.10 -2.16 -3.33 0.00 0.00 175.10 170.74 1tuz s PRO 67 N -2.30 4.61 0.24 1.54 0.04 -1.26 -4.94 135.00 132.93 1tuz s PRO 67 Ca 0.36 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 1tuz s PRO 67 Cb -0.13 -3.24 0.28 0.00 0.04 0.00 0.00 34.50 31.45 1tuz s PRO 67 CO 0.22 0.12 1.65 -0.09 0.04 0.00 0.00 177.00 178.94 1tuz h ARG 68 N 4.62 0.58 -0.56 4.56 2.43 -1.97 -0.53 114.38 123.52 1tuz h ARG 68 Ca -0.45 -0.25 0.10 0.00 -0.81 0.00 0.00 59.98 58.57 1tuz h ARG 68 Cb 1.21 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.66 1tuz h ARG 68 CO 0.70 0.82 0.13 1.25 -1.51 0.00 0.00 179.97 181.36 1tuz h HIS 69 N 0.50 0.20 -0.10 2.20 2.76 -1.99 0.72 115.15 119.45 1tuz h HIS 69 Ca 0.06 0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 58.04 1tuz h HIS 69 Cb 0.77 -0.01 0.01 0.00 1.55 0.00 0.00 27.41 29.74 1tuz h HIS 69 CO 0.03 -0.01 -0.83 1.25 -1.30 0.00 0.00 177.93 177.07 1tuz h LEU 70 N 0.26 0.91 -1.41 0.26 5.85 -1.93 -2.97 115.31 116.28 1tuz h LEU 70 Ca 0.29 -0.67 0.09 0.00 0.84 0.00 0.00 57.88 58.43 1tuz h LEU 70 Cb 0.40 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1tuz h LEU 70 CO -0.36 1.44 0.49 0.28 -0.34 0.00 0.00 178.44 179.94 1tuz h SER 71 N 0.45 0.61 -0.06 1.25 0.02 0.14 1.33 113.55 117.29 1tuz h SER 71 Ca -0.08 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1tuz h SER 71 Cb 1.48 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 1tuz h SER 71 CO 0.17 0.37 0.01 0.25 -1.14 0.00 0.00 176.83 176.49 1tuz h LEU 72 N 0.68 0.09 -0.83 5.07 5.85 0.49 -1.57 115.31 125.09 1tuz h LEU 72 Ca 0.34 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1tuz h LEU 72 Cb 0.41 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1tuz h LEU 72 CO -0.12 0.32 -0.37 0.00 -0.34 0.00 0.00 178.44 177.93 1tuz h ALA 73 N 0.78 1.00 -0.69 1.25 0.00 -1.09 -1.49 119.26 119.02 1tuz h ALA 73 Ca 0.02 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1tuz h ALA 73 Cb 0.26 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1tuz h ALA 73 CO 0.00 0.60 0.38 -0.07 0.00 0.00 0.00 179.25 180.17 1tuz h LEU 74 N 0.36 0.56 -0.27 0.00 3.38 0.20 -1.56 115.31 117.97 1tuz h LEU 74 Ca 0.04 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 1tuz h LEU 74 Cb 0.81 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1tuz h LEU 74 CO 0.07 0.36 -0.64 0.15 0.09 0.00 0.00 178.44 178.46 1tuz h PHE 75 N 0.69 1.04 -0.03 1.13 3.04 -1.01 -2.86 116.94 118.94 1tuz h PHE 75 Ca 0.31 -0.41 0.01 0.00 3.98 0.00 0.00 57.97 61.86 1tuz h PHE 75 Cb 0.21 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 1tuz h PHE 75 CO -0.08 1.23 0.14 1.96 -2.02 0.00 0.00 178.31 179.54 1tuz h GLN 76 N 0.59 0.00 -1.01 1.11 4.20 -0.44 -1.30 115.11 118.26 1tuz h GLN 76 Ca -0.01 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.95 1tuz h GLN 76 Cb 1.25 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.91 1tuz h GLN 76 CO 0.14 0.00 0.61 0.66 -0.67 0.00 0.00 178.83 179.56 1tuz h SER 77 N 0.00 0.65 0.00 1.46 4.64 -1.07 -3.36 113.55 115.86 1tuz h SER 77 Ca 0.01 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1tuz h SER 77 Cb 0.29 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1tuz h SER 77 CO -0.00 0.11 0.00 0.33 -0.87 0.00 0.00 176.83 176.40 1tuz n PHE 78 N -4.85 0.00 -0.96 4.77 7.35 -0.56 -4.97 117.46 118.24 1tuz n PHE 78 Ca 0.27 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 57.01 1tuz n PHE 78 Cb 0.76 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.56 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 -2.45 -2.39 0.00 -4.13 2.13 -0.77 -4.87 120.64 108.16 1tuz n GLU 79 Ca 0.00 1.90 0.00 0.00 0.66 0.00 0.00 57.16 59.72 1tuz n GLU 79 Cb 0.00 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.20 1tuz n GLU 79 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1tuz n THR 80 N -2.79 0.00 -3.70 6.31 -2.24 -1.25 -4.91 114.28 105.70 1tuz n THR 80 Ca -0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1tuz n THR 80 Cb 0.37 -0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 67.81 1tuz n THR 80 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1tuz s GLY 81 N 0.00 0.08 0.03 3.38 0.00 -1.26 -5.12 107.32 104.43 1tuz s GLY 81 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 44.72 45.06 1tuz s GLY 81 CO 0.00 1.30 0.38 -2.38 0.00 0.00 0.00 173.10 172.40 1tuz s HIS 82 N 1.82 3.64 -0.18 1.90 -0.00 -1.26 -5.07 115.29 116.14 1tuz s HIS 82 Ca -0.01 0.84 -0.32 0.00 -0.00 0.00 0.00 55.06 55.57 1tuz s HIS 82 Cb -0.12 -2.19 0.14 0.00 -0.00 0.00 0.00 32.58 30.42 1tuz s HIS 82 CO -0.05 0.59 1.15 0.00 -0.00 0.00 0.00 174.74 176.44 1tuz n LEU 84 N 0.25 6.16 -4.15 0.00 7.99 -1.26 -4.83 117.00 121.16 1tuz n LEU 84 Ca -0.03 -3.58 -0.16 0.00 -0.01 0.00 0.00 56.01 52.22 1tuz n LEU 84 Cb 0.59 -1.21 -0.05 0.00 -0.11 0.00 0.00 43.42 42.63 1tuz n LEU 84 CO 0.11 1.54 0.07 0.20 -1.51 0.00 0.00 177.39 177.80 1tuz s ASN 85 N 0.73 1.22 -0.26 -1.43 -0.87 -1.26 -5.14 114.94 107.94 1tuz s ASN 85 Ca 0.49 -1.60 -0.00 0.00 -1.57 0.00 0.00 52.86 50.18 1tuz s ASN 85 Cb 0.31 0.64 0.08 0.00 -0.02 0.00 0.00 41.25 42.26 1tuz s ASN 85 CO -0.11 -1.25 0.02 -1.61 -2.57 0.00 0.00 177.10 171.59 1tuz s GLU 86 N -3.09 1.07 -0.43 -0.60 2.02 -1.26 -4.99 118.70 111.41 1tuz s GLU 86 Ca 0.34 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.44 1tuz s GLU 86 Cb 0.00 -2.33 0.43 0.00 0.10 0.00 0.00 34.13 32.33 1tuz s GLU 86 CO 0.23 -0.76 1.22 2.41 0.02 0.00 0.00 175.26 178.39 1tuz n THR 87 N 4.79 2.53 -3.64 3.63 -1.04 -1.26 -4.93 114.28 114.37 1tuz n THR 87 Ca -0.07 -4.64 -0.30 0.00 -2.04 0.00 0.00 64.05 57.00 1tuz n THR 87 Cb 0.44 -1.23 0.05 0.00 -1.82 0.00 0.00 70.33 67.77 1tuz n THR 87 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1tuz n ASN 88 N -0.56 -5.49 -4.18 8.00 5.15 -1.26 -4.92 115.26 112.00 1tuz n ASN 88 Ca 0.42 -0.98 -0.40 0.00 -0.60 0.00 0.00 54.58 53.02 1tuz n ASN 88 Cb 0.72 -3.53 -0.06 0.00 -0.53 0.00 0.00 39.78 36.38 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 -3.44 4.58 0.00 3.44 1.01 -1.26 -4.72 120.40 120.00 1tuz s VAL 89 Ca 0.47 -3.05 0.00 0.00 0.00 0.00 0.00 61.98 59.39 1tuz s VAL 89 Cb -0.16 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1tuz s VAL 89 CO 0.85 -0.99 0.28 1.07 0.00 0.00 0.00 175.10 176.31 1tuz n THR 90 N 3.31 0.00 -3.14 3.92 5.66 -1.26 -4.88 114.28 117.89 1tuz n THR 90 Ca 0.14 -0.43 -0.45 0.00 -3.05 0.00 0.00 64.05 60.26 1tuz n THR 90 Cb 0.40 1.09 -0.00 0.00 -1.55 0.00 0.00 70.33 70.27 1tuz n THR 90 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1tuz s LYS 91 N -0.30 4.04 -0.83 1.09 -2.85 -1.26 -4.96 119.74 114.66 1tuz s LYS 91 Ca 0.00 -2.74 -0.25 0.00 -1.00 0.00 0.00 55.97 51.98 1tuz s LYS 91 Cb 0.00 -4.78 -0.05 0.00 -2.06 0.00 0.00 37.83 30.93 1tuz s LYS 91 CO 0.00 -1.51 1.98 -0.51 0.10 0.00 0.00 175.35 175.41 1tuz s ASP 92 N 2.25 5.05 0.29 0.03 1.01 -1.26 -4.89 116.67 119.14 1tuz s ASP 92 Ca 0.34 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 53.24 1tuz s ASP 92 Cb -0.07 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 1tuz s ASP 92 CO -0.05 -2.78 0.03 0.68 0.21 0.00 0.00 175.17 173.27 1tuz s VAL 93 N 10.33 1.17 0.02 -1.27 -7.23 -1.26 -3.60 120.40 118.56 1tuz s VAL 93 Ca 0.72 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1tuz s VAL 93 Cb -0.08 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 1tuz s VAL 93 CO 0.04 -0.11 0.05 -0.69 -0.31 0.00 0.00 175.10 174.08 1tuz s VAL 94 N -3.32 0.12 0.17 1.32 1.01 -0.15 -3.76 120.40 115.79 1tuz s VAL 94 Ca 0.34 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1tuz s VAL 94 Cb 0.07 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.79 1tuz s VAL 94 CO 0.13 -0.54 1.11 0.00 0.00 0.00 0.00 175.10 175.81 1tuz h LEU 96 N 5.16 0.00 -0.10 0.00 3.38 -1.97 -2.74 115.31 119.04 1tuz h LEU 96 Ca -0.44 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.28 1tuz h LEU 96 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.98 1tuz h LEU 96 CO 0.73 0.45 -0.93 -1.13 0.09 0.00 0.00 178.44 177.65 1tuz h ASN 97 N 0.00 0.86 -0.59 -0.43 -1.24 -1.91 -2.00 115.58 110.27 1tuz h ASN 97 Ca -0.00 -0.64 -0.05 0.00 0.71 0.00 0.00 56.30 56.32 1tuz h ASN 97 Cb 1.22 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 1tuz h ASN 97 CO 0.06 1.43 0.18 0.44 -1.29 0.00 0.00 177.43 178.25 1tuz h ASP 98 N 0.42 0.85 0.42 1.15 5.19 -1.95 -1.16 116.42 121.34 1tuz h ASP 98 Ca -0.09 -0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.05 1tuz h ASP 98 Cb 1.57 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 1tuz h ASP 98 CO 0.18 0.83 -0.28 0.58 -3.12 0.00 0.00 179.24 177.43 1tuz h VAL 99 N 0.83 1.01 -0.17 -1.35 2.07 -1.48 0.13 116.25 117.29 1tuz h VAL 99 Ca 0.19 -1.04 -0.15 0.00 0.82 0.00 0.00 66.70 66.52 1tuz h VAL 99 Cb 0.29 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1tuz h VAL 99 CO -0.01 0.28 -0.52 0.77 0.02 0.00 0.00 177.57 178.11 1tuz h SER 100 N 0.00 0.52 0.05 0.57 4.64 -0.53 -0.99 113.55 117.81 1tuz h SER 100 Ca -0.00 -0.27 -0.19 0.00 -0.47 0.00 0.00 61.79 60.86 1tuz h SER 100 Cb 0.57 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1tuz h SER 100 CO 0.04 0.95 -0.78 0.00 -0.87 0.00 0.00 176.83 176.16 1tuz h TYR 102 N -0.07 -0.33 -0.69 0.00 3.20 -0.72 -0.16 116.97 118.21 1tuz h TYR 102 Ca -0.11 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 1tuz h TYR 102 Cb 1.51 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.90 1tuz h TYR 102 CO 0.15 -0.19 0.27 0.74 -1.64 0.00 0.00 178.16 177.49 1tuz h PHE 103 N -0.19 1.06 -0.25 -3.82 0.04 -1.27 -2.00 116.94 110.50 1tuz h PHE 103 Ca 0.06 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1tuz h PHE 103 Cb 0.28 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1tuz h PHE 103 CO -0.21 0.82 0.17 1.03 -0.60 0.00 0.00 178.31 179.53 1tuz h SER 104 N 0.99 0.18 -0.52 2.17 0.87 -0.87 -0.67 113.55 115.70 1tuz h SER 104 Ca 0.23 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 1tuz h SER 104 Cb 0.22 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1tuz h SER 104 CO -0.02 0.12 0.06 0.25 -0.53 0.00 0.00 176.83 176.71 1tuz h LEU 105 N 0.20 0.85 -0.65 2.23 7.12 -0.28 -2.67 115.31 122.12 1tuz h LEU 105 Ca 0.11 -0.28 0.09 0.00 0.13 0.00 0.00 57.88 57.93 1tuz h LEU 105 Cb 0.17 -0.23 -0.07 0.00 -0.53 0.00 0.00 40.66 40.00 1tuz h LEU 105 CO -0.02 0.91 0.28 -0.07 -0.13 0.00 0.00 178.44 179.42 1tuz h LEU 106 N 0.76 0.32 -0.30 2.25 -0.00 -0.91 0.77 115.31 118.20 1tuz h LEU 106 Ca 0.15 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1tuz h LEU 106 Cb 0.44 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1tuz h LEU 106 CO 0.02 0.19 0.00 -0.62 -0.00 0.00 0.00 178.44 178.02 1tuz n GLU 107 N -4.94 0.05 0.02 1.13 1.02 -1.03 -1.45 120.64 115.44 1tuz n GLU 107 Ca 0.10 0.42 -0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1tuz n GLU 107 Cb 0.28 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 1tuz n GLU 107 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1tuz h GLY 108 N 1.26 0.12 0.00 0.62 0.00 0.76 -3.44 103.07 102.39 1tuz h GLY 108 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1tuz h GLY 108 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 176.54 177.41 1tuz n GLY 109 N 1.59 -0.16 3.74 4.60 0.00 -0.53 -4.85 105.19 109.57 1tuz n GLY 109 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1tuz n GLY 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1tuz n ARG 110 N 0.00 2.00 -2.08 1.61 0.63 -1.24 -4.97 116.66 112.61 1tuz n ARG 110 Ca 0.00 0.72 -0.33 0.00 -0.92 0.00 0.00 57.85 57.32 1tuz n ARG 110 Cb 0.00 -2.54 0.01 0.00 0.45 0.00 0.00 32.46 30.37 1tuz n ARG 110 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1tuz s PRO 111 N -2.50 3.39 -0.03 -0.14 0.04 -1.26 -4.77 135.00 129.73 1tuz s PRO 111 Ca 0.64 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.86 1tuz s PRO 111 Cb -0.45 -2.04 -0.26 0.00 0.04 0.00 0.00 34.50 31.78 1tuz s PRO 111 CO 0.55 -0.75 0.73 1.05 0.04 0.00 0.00 177.00 178.62 1tuz h GLU 112 N 0.48 0.18 -5.85 4.56 9.09 -1.93 -3.49 114.58 117.62 1tuz h GLU 112 Ca -0.47 -0.30 -0.39 0.00 0.05 0.00 0.00 59.36 58.26 1tuz h GLU 112 Cb 1.22 0.11 0.13 0.00 -1.65 0.00 0.00 28.75 28.55 1tuz h GLU 112 CO 0.58 0.97 -0.73 -3.47 0.05 0.00 0.00 179.01 176.41 1tuz n ASP 113 N -3.35 -4.52 -2.49 3.06 2.03 -1.26 -4.99 116.55 105.03 1tuz n ASP 113 Ca -0.19 -0.61 -0.08 0.00 0.52 0.00 0.00 54.79 54.43 1tuz n ASP 113 Cb 1.04 -4.89 -0.02 0.00 -0.72 0.00 0.00 41.12 36.53 1tuz n ASP 113 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1tuz n LYS 114 N -4.66 1.34 -0.48 -0.67 5.02 -1.26 -5.13 118.16 112.32 1tuz n LYS 114 Ca -0.10 -0.98 -0.26 0.00 -2.02 0.00 0.00 58.31 54.95 1tuz n LYS 114 Cb 0.60 0.36 0.21 0.00 -0.02 0.00 0.00 35.03 36.18 1tuz n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1tuz n LEU 115 N 0.00 -1.45 -3.69 -0.35 4.77 -1.26 -5.04 117.00 109.97 1tuz n LEU 115 Ca -0.04 -0.42 -0.10 0.00 -0.03 0.00 0.00 56.01 55.42 1tuz n LEU 115 Cb 0.17 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 1tuz n LEU 115 CO 0.09 -3.57 0.10 -1.61 -1.33 0.00 0.00 177.39 171.08 1tuz s GLU 116 N -3.99 0.45 0.00 3.23 2.02 -1.26 -5.12 118.70 114.03 1tuz s GLU 116 Ca 0.54 0.83 0.00 0.00 0.02 0.00 0.00 54.97 56.36 1tuz s GLU 116 Cb -0.12 0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.14 1tuz s GLU 116 CO 0.53 -0.15 0.00 0.91 0.02 0.00 0.00 175.26 176.57 1tuz n TRP 117 N 4.09 0.00 -0.64 1.61 7.02 -1.26 -5.32 117.44 122.94 1tuz n TRP 117 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 1tuz n TRP 117 Cb 0.56 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.45 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12