#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 5.98 -1.00 3.04 0.00 -1.26 -4.79 120.51 122.49 1tuz n ALA 2 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.16 1tuz n ALA 2 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 1.15 0.00 -1.00 0.00 3.00 -1.26 -5.05 118.16 115.00 1tuz n LYS 3 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1tuz n LYS 3 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.66 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 -2.83 -2.69 1.64 2.13 -1.26 -4.96 120.64 112.67 1tuz n GLU 4 Ca 0.00 2.13 -0.07 0.00 0.66 0.00 0.00 57.16 59.87 1tuz n GLU 4 Cb 0.00 -2.45 0.05 0.00 0.27 0.00 0.00 31.44 29.31 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 -1.22 1.22 0.00 5.31 1.85 -1.26 -5.04 116.66 117.52 1tuz n ARG 5 Ca 0.00 -2.91 0.00 0.00 -1.00 0.00 0.00 57.85 53.94 1tuz n ARG 5 Cb 0.07 -0.97 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 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 -0.28 1.14 3.80 2.89 0.00 -1.26 -5.06 105.19 106.42 1tuz n GLY 6 Ca 0.05 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 1tuz n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tuz s LEU 7 N 0.00 3.41 -0.04 0.99 2.01 -1.26 -4.35 118.68 119.43 1tuz s LEU 7 Ca 0.00 1.80 0.10 0.00 0.01 0.00 0.00 54.13 56.04 1tuz s LEU 7 Cb 0.00 -4.53 0.35 0.00 0.01 0.00 0.00 46.19 42.02 1tuz s LEU 7 CO 0.00 -1.30 1.21 2.30 1.01 0.00 0.00 176.35 179.58 1tuz n ILE 8 N -2.32 0.80 -1.35 -0.59 -5.35 -1.26 -4.95 119.36 104.34 1tuz n ILE 8 Ca 0.09 -0.56 0.18 0.00 -0.27 0.00 0.00 62.75 62.18 1tuz n ILE 8 Cb 0.53 0.01 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 1tuz n ILE 8 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1tuz n SER 9 N 0.47 -8.10 0.00 7.28 7.64 -1.26 -2.64 113.62 117.01 1tuz n SER 9 Ca 0.13 0.86 0.12 0.00 1.01 0.00 0.00 58.87 60.99 1tuz n SER 9 Cb 0.46 -4.30 0.71 0.00 -1.01 0.00 0.00 64.21 60.07 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 -4.16 0.75 -0.06 1.43 -0.04 -1.26 -2.52 135.00 129.14 1tuz n PRO 10 Ca -0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 1tuz n PRO 10 Cb 0.63 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 1tuz n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1tuz h SER 11 N 0.00 -0.00 -0.02 3.54 0.87 -2.00 -2.68 113.55 113.25 1tuz h SER 11 Ca 0.00 -0.94 -0.22 0.00 -1.23 0.00 0.00 61.79 59.40 1tuz h SER 11 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1tuz h SER 11 CO 0.00 0.95 -0.86 0.44 -0.53 0.00 0.00 176.83 176.83 1tuz h ASP 12 N -0.96 0.80 -0.60 6.23 5.19 -1.45 -3.12 116.42 122.51 1tuz h ASP 12 Ca -0.00 -0.73 0.06 0.00 -0.62 0.00 0.00 57.03 55.75 1tuz h ASP 12 Cb 0.94 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.17 1tuz h ASP 12 CO 0.00 1.41 0.40 0.15 -3.12 0.00 0.00 179.24 178.08 1tuz h PHE 13 N 0.26 0.57 0.60 4.55 3.04 -1.64 -0.88 116.94 123.44 1tuz h PHE 13 Ca -0.10 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.83 1tuz h PHE 13 Cb 1.52 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 39.85 1tuz h PHE 13 CO 0.11 0.30 -0.29 0.00 -2.02 0.00 0.00 178.31 176.42 1tuz h ALA 14 N 1.68 -0.80 -0.04 2.41 0.00 -1.45 0.16 119.26 121.21 1tuz h ALA 14 Ca 0.26 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1tuz h ALA 14 Cb 0.30 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1tuz h ALA 14 CO -0.08 -0.87 -0.37 0.37 0.00 0.00 0.00 179.25 178.30 1tuz h GLN 15 N -0.96 -0.48 -0.83 0.00 5.75 -1.38 0.26 115.11 117.48 1tuz h GLN 15 Ca -0.08 0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.59 1tuz h GLN 15 Cb 0.66 0.11 -0.09 0.00 1.07 0.00 0.00 27.48 29.23 1tuz h GLN 15 CO 0.13 -0.32 0.43 1.25 -2.65 0.00 0.00 178.83 177.67 1tuz h LEU 16 N -0.50 0.53 0.66 -2.39 7.12 -1.17 0.31 115.31 119.87 1tuz h LEU 16 Ca 0.07 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.13 1tuz h LEU 16 Cb 0.60 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.73 1tuz h LEU 16 CO -0.32 0.24 -0.41 -0.61 -0.13 0.00 0.00 178.44 177.21 1tuz h GLN 17 N 0.63 -0.97 0.22 1.25 4.15 0.10 1.02 115.11 121.52 1tuz h GLN 17 Ca 0.44 0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.94 1tuz h GLN 17 Cb 0.59 0.22 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 1tuz h GLN 17 CO -0.34 -0.65 -0.43 -0.22 -1.93 0.00 0.00 178.83 175.26 1tuz h LYS 18 N -1.01 -0.71 -0.92 1.69 3.64 0.23 1.45 116.57 120.95 1tuz h LYS 18 Ca -0.08 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1tuz h LYS 18 Cb 0.82 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.71 1tuz h LYS 18 CO 0.08 -0.47 0.54 1.88 -2.27 0.00 0.00 179.45 179.21 1tuz h TYR 19 N -0.73 0.97 -0.40 1.91 0.05 -0.32 -0.89 116.97 117.54 1tuz h TYR 19 Ca -0.00 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.66 1tuz h TYR 19 Cb 0.72 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 1tuz h TYR 19 CO -0.33 0.33 -0.35 1.98 -1.05 0.00 0.00 178.16 178.74 1tuz h MET 20 N 0.82 0.94 -0.96 4.88 4.05 0.21 -2.44 114.93 122.43 1tuz h MET 20 Ca 0.48 -0.48 0.24 0.00 -0.28 0.00 0.00 59.70 59.65 1tuz h MET 20 Cb 0.56 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.30 1tuz h MET 20 CO -0.30 1.14 0.64 0.93 0.23 0.00 0.00 176.91 179.55 1tuz h GLU 21 N 0.77 0.32 0.23 0.39 5.08 0.34 0.52 114.58 122.23 1tuz h GLU 21 Ca 0.07 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.11 1tuz h GLU 21 Cb 0.94 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 30.16 1tuz h GLU 21 CO 0.09 0.21 -1.35 -0.92 -1.00 0.00 0.00 179.01 176.05 1tuz h TYR 22 N 0.33 0.88 -3.89 4.33 3.20 -1.27 -3.45 116.97 117.10 1tuz h TYR 22 Ca 0.51 -0.64 -0.49 0.00 3.14 0.00 0.00 58.73 61.24 1tuz h TYR 22 Cb 1.40 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 39.65 1tuz h TYR 22 CO -0.00 1.52 0.44 -1.54 -1.64 0.00 0.00 178.16 176.93 1tuz s SER 23 N -7.44 6.99 -0.00 -2.11 1.04 0.17 -4.93 113.70 107.42 1tuz s SER 23 Ca -0.10 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1tuz s SER 23 Cb 0.03 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.56 1tuz s SER 23 CO 0.92 -0.33 0.66 0.35 0.98 0.00 0.00 173.24 175.81 1tuz n THR 24 N 0.51 0.23 -1.92 2.02 -2.24 -1.26 -4.84 114.28 106.78 1tuz n THR 24 Ca 0.02 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 1tuz n THR 24 Cb 0.47 0.83 0.18 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.13 -1.05 -4.18 -0.78 5.02 -1.26 -5.07 118.16 110.71 1tuz n LYS 25 Ca 0.00 -1.94 -0.34 0.00 -2.02 0.00 0.00 58.31 54.02 1tuz n LYS 25 Cb 0.48 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 34.24 1tuz n LYS 25 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tuz s LYS 26 N -5.55 3.05 0.35 1.97 -0.14 -1.26 -4.99 119.74 113.16 1tuz s LYS 26 Ca 0.67 -0.44 0.17 0.00 -1.36 0.00 0.00 55.97 55.02 1tuz s LYS 26 Cb -0.02 -2.85 0.59 0.00 -1.68 0.00 0.00 37.83 33.87 1tuz s LYS 26 CO 0.47 0.68 1.69 -0.24 -0.76 0.00 0.00 175.35 177.19 1tuz h VAL 27 N 3.61 0.95 -0.17 3.17 3.04 -1.96 -2.18 116.25 122.71 1tuz h VAL 27 Ca -0.50 -1.66 -0.14 0.00 -1.01 0.00 0.00 66.70 63.39 1tuz h VAL 27 Cb 1.19 2.00 -0.01 0.00 -2.01 0.00 0.00 31.29 32.46 1tuz h VAL 27 CO 0.59 0.41 -0.48 -1.28 -1.01 0.00 0.00 177.57 175.80 1tuz h SER 28 N 0.00 0.48 0.76 3.17 0.87 -1.95 -0.52 113.55 116.36 1tuz h SER 28 Ca -0.00 -0.23 -0.17 0.00 -1.23 0.00 0.00 61.79 60.15 1tuz h SER 28 Cb 0.97 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1tuz h SER 28 CO 0.05 0.89 -0.82 0.44 -0.53 0.00 0.00 176.83 176.86 1tuz h ASP 29 N 0.36 0.05 0.00 6.23 5.19 -1.92 -2.10 116.42 124.23 1tuz h ASP 29 Ca 0.02 -0.04 -0.18 0.00 -0.62 0.00 0.00 57.03 56.21 1tuz h ASP 29 Cb 0.97 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 1tuz h ASP 29 CO 0.09 0.85 -0.61 0.58 -3.12 0.00 0.00 179.24 177.02 1tuz h VAL 30 N 0.02 1.32 -0.03 -1.35 2.07 -1.14 -2.89 116.25 114.26 1tuz h VAL 30 Ca -0.02 -1.87 -0.12 0.00 0.82 0.00 0.00 66.70 65.51 1tuz h VAL 30 Cb 1.44 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1tuz h VAL 30 CO 0.11 0.58 -0.54 -0.07 0.02 0.00 0.00 177.57 177.67 1tuz h LEU 31 N 0.45 0.08 -2.39 2.57 3.38 -1.03 -2.42 115.31 115.95 1tuz h LEU 31 Ca -0.01 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1tuz h LEU 31 Cb 1.18 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1tuz h LEU 31 CO 0.12 0.61 0.07 0.07 0.09 0.00 0.00 178.44 179.39 1tuz h LYS 32 N 0.06 0.00 -0.04 1.13 5.09 -1.16 0.28 116.57 121.93 1tuz h LYS 32 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.57 1tuz h LYS 32 Cb 0.98 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.30 1tuz h LYS 32 CO 0.07 0.00 -0.73 -0.07 -2.09 0.00 0.00 179.45 176.63 1tuz h LEU 33 N 0.00 0.26 0.00 7.07 3.38 -1.42 -2.35 115.31 122.25 1tuz h LEU 33 Ca 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1tuz h LEU 33 Cb 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1tuz h LEU 33 CO -0.00 0.90 -0.10 0.49 0.09 0.00 0.00 178.44 179.82 1tuz n PHE 34 N -3.77 0.85 -0.04 1.13 3.01 0.84 0.71 117.46 120.20 1tuz n PHE 34 Ca -0.03 0.25 -0.18 0.00 1.01 0.00 0.00 57.45 58.49 1tuz n PHE 34 Cb 0.71 -0.89 -0.13 0.00 -0.01 0.00 0.00 39.48 39.16 1tuz n PHE 34 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1tuz h GLU 35 N 0.00 0.11 0.00 -1.08 4.11 -0.95 -3.23 114.58 113.54 1tuz h GLU 35 Ca 0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.23 1tuz h GLU 35 Cb 0.73 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1tuz h GLU 35 CO 0.00 1.09 -0.53 -0.25 0.07 0.00 0.00 179.01 179.40 1tuz n ASP 36 N -4.33 2.43 -3.42 3.06 8.00 -0.90 -4.83 116.55 116.56 1tuz n ASP 36 Ca -0.18 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 1tuz n ASP 36 Cb 0.68 0.16 0.13 0.00 -0.02 0.00 0.00 41.12 42.07 1tuz n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tuz n GLY 37 N 2.12 -1.94 0.33 0.44 0.00 0.22 -4.60 105.19 101.76 1tuz n GLY 37 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.40 1tuz n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tuz h GLU 38 N 0.00 0.83 0.00 1.61 3.07 -1.92 0.07 114.58 118.24 1tuz h GLU 38 Ca -0.17 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1tuz h GLU 38 Cb 0.57 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1tuz h GLU 38 CO 0.10 0.56 0.05 -1.33 -1.40 0.00 0.00 179.01 176.99 1tuz n MET 39 N -4.43 0.12 0.00 2.33 2.81 -1.11 0.04 117.12 116.88 1tuz n MET 39 Ca 0.06 0.61 0.11 0.00 -1.81 0.00 0.00 57.70 56.68 1tuz n MET 39 Cb 0.05 -1.94 0.63 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.71 2.27 0.21 3.04 0.00 0.01 -2.22 120.51 122.10 1tuz n ALA 40 Ca -0.01 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.41 1tuz n ALA 40 Cb 0.08 -1.37 0.26 0.00 0.00 0.00 0.00 19.45 18.42 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 0.00 0.00 -1.60 0.00 2.10 -0.56 -3.27 116.57 113.23 1tuz h LYS 41 Ca 0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 1tuz h LYS 41 Cb 0.10 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 31.01 1tuz h LYS 41 CO 0.00 0.14 -0.77 0.66 -2.00 0.00 0.00 179.45 177.48 1tuz n TYR 42 N -3.17 3.22 -4.27 0.07 4.01 -0.94 -5.02 117.16 111.07 1tuz n TYR 42 Ca 0.02 -3.24 -0.20 0.00 -0.16 0.00 0.00 57.90 54.32 1tuz n TYR 42 Cb 0.53 -0.18 -0.16 0.00 -0.31 0.00 0.00 39.34 39.21 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 -5.06 0.65 -0.98 -0.72 1.01 -1.24 -4.47 120.40 109.60 1tuz s VAL 43 Ca 0.46 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1tuz s VAL 43 Cb 0.39 -0.63 0.25 0.00 0.00 0.00 0.00 36.38 36.38 1tuz s VAL 43 CO -0.16 0.24 0.92 -1.10 0.00 0.00 0.00 175.10 175.00 1tuz s GLN 44 N 0.66 3.73 3.63 2.72 -0.21 0.88 -4.94 119.66 126.13 1tuz s GLN 44 Ca -0.10 -3.12 0.00 0.00 0.02 0.00 0.00 55.36 52.16 1tuz s GLN 44 Cb -0.13 -4.29 0.00 0.00 1.00 0.00 0.00 33.01 29.59 1tuz s GLN 44 CO 0.01 -1.25 0.00 0.41 -2.12 0.00 0.00 175.29 172.34 1tuz n GLY 45 N 2.76 1.51 0.02 3.09 0.00 -1.26 -1.56 105.19 109.74 1tuz n GLY 45 Ca 0.21 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.40 1tuz n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tuz n ASP 46 N 6.90 1.80 -4.08 1.61 8.00 -1.26 -5.00 116.55 124.52 1tuz n ASP 46 Ca 0.00 -2.03 -0.24 0.00 0.71 0.00 0.00 54.79 53.23 1tuz n ASP 46 Cb 0.00 -0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 40.88 1tuz n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tuz s ALA 47 N -1.11 1.28 0.21 2.24 0.00 -0.60 -3.89 121.76 119.89 1tuz s ALA 47 Ca 0.04 -0.54 0.10 0.00 0.00 0.00 0.00 51.96 51.57 1tuz s ALA 47 Cb 0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1tuz s ALA 47 CO 0.00 0.21 -0.15 -1.50 0.00 0.00 0.00 175.76 174.32 1tuz s ILE 48 N 0.18 2.80 0.21 0.00 2.07 -0.79 -0.08 121.20 125.59 1tuz s ILE 48 Ca -0.05 -1.96 -0.00 0.00 -1.41 0.00 0.00 60.65 57.22 1tuz s ILE 48 Cb -0.11 -2.41 0.04 0.00 0.13 0.00 0.00 42.46 40.11 1tuz s ILE 48 CO 0.02 -0.20 0.28 0.61 -1.91 0.00 0.00 174.94 173.74 1tuz n GLY 49 N -0.13 0.61 0.13 1.50 0.00 -1.26 -0.47 105.19 105.57 1tuz n GLY 49 Ca -0.10 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 1tuz n GLY 49 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1tuz h TYR 50 N -0.49 -0.23 -1.01 1.61 3.20 -1.97 0.92 116.97 119.00 1tuz h TYR 50 Ca -0.09 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.00 1tuz h TYR 50 Cb 0.34 0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.57 1tuz h TYR 50 CO 0.00 -0.03 0.61 1.49 -1.64 0.00 0.00 178.16 178.59 1tuz h GLU 51 N -0.38 0.60 0.22 1.82 4.81 -1.95 1.33 114.58 121.03 1tuz h GLU 51 Ca -0.03 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 58.84 1tuz h GLU 51 Cb 0.30 -0.14 0.03 0.00 0.63 0.00 0.00 28.75 29.57 1tuz h GLU 51 CO 0.04 0.40 -1.49 0.78 -0.73 0.00 0.00 179.01 178.01 1tuz h GLY 52 N 0.62 0.53 1.06 1.92 0.00 -1.74 -2.37 103.07 103.09 1tuz h GLY 52 Ca 0.61 -1.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 1tuz h GLY 52 CO -0.41 1.18 0.08 -2.75 0.00 0.00 0.00 176.54 174.64 1tuz h PHE 53 N 0.13 1.14 0.00 5.60 3.57 0.30 -1.39 116.94 126.28 1tuz h PHE 53 Ca -0.25 -0.17 -0.14 0.00 3.53 0.00 0.00 57.97 60.95 1tuz h PHE 53 Cb 2.12 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.53 1tuz h PHE 53 CO 0.11 0.97 -0.66 -0.56 -2.23 0.00 0.00 178.31 175.94 1tuz h GLN 54 N 0.97 0.00 -0.08 1.11 -0.00 0.15 -3.04 115.11 114.23 1tuz h GLN 54 Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.72 1tuz h GLN 54 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.93 1tuz h GLN 54 CO 0.02 0.66 -0.48 0.37 -0.00 0.00 0.00 178.83 179.40 1tuz h GLN 55 N 0.00 0.21 -0.55 0.06 4.15 -1.05 -3.06 115.11 114.86 1tuz h GLN 55 Ca -0.01 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.35 1tuz h GLN 55 Cb 1.24 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.89 1tuz h GLN 55 CO 0.09 0.65 0.29 0.35 -1.93 0.00 0.00 178.83 178.27 1tuz h PHE 56 N 0.17 0.53 -0.12 3.99 3.57 -1.14 0.13 116.94 124.07 1tuz h PHE 56 Ca 0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1tuz h PHE 56 Cb 0.91 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1tuz h PHE 56 CO 0.01 0.26 0.29 -0.07 -2.23 0.00 0.00 178.31 176.58 1tuz h LEU 57 N 0.56 0.00 0.53 0.59 4.07 -1.61 1.60 115.31 121.06 1tuz h LEU 57 Ca 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1tuz h LEU 57 Cb 0.14 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.89 1tuz h LEU 57 CO -0.16 0.00 -0.26 0.50 -1.08 0.00 0.00 178.44 177.44 1tuz h LYS 58 N 0.00 -0.69 -0.05 1.13 3.64 -0.83 -2.68 116.57 117.09 1tuz h LYS 58 Ca 0.06 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1tuz h LYS 58 Cb 0.64 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1tuz h LYS 58 CO -0.00 -0.42 -0.21 0.82 -2.27 0.00 0.00 179.45 177.36 1tuz h ILE 59 N -1.15 1.45 -0.31 2.00 2.04 -1.12 0.88 117.51 121.30 1tuz h ILE 59 Ca -0.07 -1.64 0.03 0.00 1.00 0.00 0.00 64.86 64.17 1tuz h ILE 59 Cb 0.58 2.37 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 1tuz h ILE 59 CO 0.12 0.46 -0.19 0.22 0.00 0.00 0.00 178.15 178.76 1tuz h TYR 60 N -0.30 -0.60 0.00 1.37 3.20 0.22 0.13 116.97 120.99 1tuz h TYR 60 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1tuz h TYR 60 Cb 0.86 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1tuz h TYR 60 CO 0.13 -0.12 -0.31 1.28 -1.64 0.00 0.00 178.16 177.50 1tuz n LEU 61 N -3.71 0.36 0.00 2.82 4.77 -1.01 -4.77 117.00 115.46 1tuz n LEU 61 Ca 0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1tuz n LEU 61 Cb 0.08 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1tuz n LEU 61 CO -0.05 0.05 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 1tuz n GLU 62 N -1.60 -0.19 -1.32 3.23 1.02 0.29 -4.45 120.64 117.63 1tuz n GLU 62 Ca 0.06 0.05 -0.37 0.00 -0.02 0.00 0.00 57.16 56.88 1tuz n GLU 62 Cb 0.35 -3.27 0.06 0.00 -0.02 0.00 0.00 31.44 28.56 1tuz n GLU 62 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1tuz n VAL 63 N -2.21 1.94 0.94 2.62 0.24 -0.05 -4.84 118.33 116.97 1tuz n VAL 63 Ca 0.00 -0.43 0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1tuz n VAL 63 Cb 0.05 -0.73 0.37 0.00 -1.47 0.00 0.00 33.84 32.05 1tuz n VAL 63 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1tuz n ASP 64 N -0.10 0.37 -3.25 -1.34 9.92 -1.26 -4.64 116.55 116.26 1tuz n ASP 64 Ca 0.10 0.07 0.03 0.00 -0.53 0.00 0.00 54.79 54.47 1tuz n ASP 64 Cb 0.49 -0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.89 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 -3.19 -0.30 0.10 -2.24 4.22 -1.26 -5.11 114.94 107.15 1tuz s ASN 65 Ca 0.11 0.35 -0.07 0.00 -2.14 0.00 0.00 52.86 51.12 1tuz s ASN 65 Cb 0.17 1.32 -0.06 0.00 1.28 0.00 0.00 41.25 43.96 1tuz s ASN 65 CO 0.64 -0.06 0.37 0.54 -2.04 0.00 0.00 177.10 176.56 1tuz s VAL 66 N 2.39 5.16 0.06 3.54 0.11 -1.26 -5.06 120.40 125.34 1tuz s VAL 66 Ca -0.01 0.22 -0.30 0.00 -2.93 0.00 0.00 61.98 58.95 1tuz s VAL 66 Cb -0.04 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 1tuz s VAL 66 CO -0.15 0.18 1.16 -2.16 -3.33 0.00 0.00 175.10 170.80 1tuz s PRO 67 N -2.24 4.46 0.42 1.54 0.04 -1.26 -4.92 135.00 133.04 1tuz s PRO 67 Ca 0.36 1.72 0.10 0.00 0.04 0.00 0.00 61.00 63.23 1tuz s PRO 67 Cb -0.13 -3.35 0.91 0.00 0.04 0.00 0.00 34.50 31.97 1tuz s PRO 67 CO 0.21 -0.20 2.00 -0.09 0.04 0.00 0.00 177.00 178.96 1tuz h ARG 68 N 6.64 0.26 -0.66 4.56 2.43 -1.98 -2.03 114.38 123.60 1tuz h ARG 68 Ca -0.42 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.80 1tuz h ARG 68 Cb 1.21 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 1tuz h ARG 68 CO 0.80 0.29 0.30 0.45 -1.51 0.00 0.00 179.97 180.30 1tuz h HIS 69 N 0.25 0.54 -0.17 2.20 3.86 -1.99 0.33 115.15 120.16 1tuz h HIS 69 Ca 0.06 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1tuz h HIS 69 Cb 0.19 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1tuz h HIS 69 CO 0.00 0.19 -0.07 1.25 0.86 0.00 0.00 177.93 180.16 1tuz h LEU 70 N 0.53 0.36 -2.16 2.43 5.85 -1.79 -2.37 115.31 118.17 1tuz h LEU 70 Ca 0.32 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1tuz h LEU 70 Cb 0.34 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1tuz h LEU 70 CO -0.27 0.67 0.20 0.28 -0.34 0.00 0.00 178.44 178.99 1tuz h SER 71 N 0.04 0.00 -0.02 1.25 0.02 -0.79 1.12 113.55 115.17 1tuz h SER 71 Ca 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1tuz h SER 71 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1tuz h SER 71 CO 0.02 0.00 -0.06 0.25 -1.14 0.00 0.00 176.83 175.91 1tuz h LEU 72 N 0.00 0.09 -0.82 5.07 5.85 0.04 -2.11 115.31 123.42 1tuz h LEU 72 Ca 0.10 -0.60 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 1tuz h LEU 72 Cb 0.51 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1tuz h LEU 72 CO -0.00 0.67 -0.54 0.00 -0.34 0.00 0.00 178.44 178.23 1tuz h ALA 73 N 0.42 1.01 -0.84 1.25 0.00 -0.65 -1.28 119.26 119.16 1tuz h ALA 73 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1tuz h ALA 73 Cb 0.66 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1tuz h ALA 73 CO 0.01 0.68 0.48 -0.07 0.00 0.00 0.00 179.25 180.35 1tuz h LEU 74 N 0.10 1.04 -0.09 0.00 3.38 0.12 -0.34 115.31 119.53 1tuz h LEU 74 Ca -0.00 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 1tuz h LEU 74 Cb 0.99 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1tuz h LEU 74 CO 0.08 0.82 -0.69 0.15 0.09 0.00 0.00 178.44 178.89 1tuz h PHE 75 N 1.17 0.86 -0.41 1.13 3.57 -1.14 -3.15 116.94 118.97 1tuz h PHE 75 Ca 0.30 -0.41 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1tuz h PHE 75 Cb -0.00 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1tuz h PHE 75 CO 0.00 1.22 0.27 1.96 -2.23 0.00 0.00 178.31 179.53 1tuz h GLN 76 N 0.26 0.36 0.00 1.11 4.20 -0.92 -3.22 115.11 116.90 1tuz h GLN 76 Ca -0.06 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1tuz h GLN 76 Cb 1.34 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1tuz h GLN 76 CO 0.14 0.24 0.00 0.45 -0.67 0.00 0.00 178.83 178.99 1tuz n SER 77 N -4.48 0.00 -4.95 1.46 2.88 -0.17 -4.78 113.62 103.59 1tuz n SER 77 Ca 0.05 0.42 -0.24 0.00 -1.33 0.00 0.00 58.87 57.77 1tuz n SER 77 Cb 0.21 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.71 1tuz n SER 77 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1tuz s PHE 78 N -0.83 2.94 -0.27 0.66 5.36 -1.22 -4.02 117.98 120.59 1tuz s PHE 78 Ca 0.00 0.25 -0.28 0.00 -0.96 0.00 0.00 56.93 55.94 1tuz s PHE 78 Cb 0.00 -2.92 0.18 0.00 -0.34 0.00 0.00 43.02 39.94 1tuz s PHE 78 CO 0.00 -1.07 1.33 -2.00 -1.46 0.00 0.00 175.22 172.02 1tuz s GLU 79 N -4.98 0.14 0.00 10.12 2.12 -1.26 -4.80 118.70 120.04 1tuz s GLU 79 Ca 0.58 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.97 1tuz s GLU 79 Cb -0.10 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.35 1tuz s GLU 79 CO 0.42 -0.04 0.00 -2.37 -0.54 0.00 0.00 175.26 172.73 1tuz n THR 80 N 0.89 0.00 -2.36 -1.70 5.66 -1.26 -5.02 114.28 110.49 1tuz n THR 80 Ca -0.04 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1tuz n THR 80 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1tuz n THR 80 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tuz n GLY 81 N 2.18 -5.41 0.40 1.09 0.00 -1.26 -4.79 105.19 97.40 1tuz n GLY 81 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1tuz n GLY 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1tuz h HIS 82 N 4.30 -1.76 -0.85 1.61 3.86 -2.01 -3.45 115.15 116.85 1tuz h HIS 82 Ca -0.04 0.11 -0.15 0.00 -1.16 0.00 0.00 60.37 59.14 1tuz h HIS 82 Cb 0.08 0.88 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 1tuz h HIS 82 CO 0.00 -0.37 -0.17 0.00 0.86 0.00 0.00 177.93 178.25 1tuz n LEU 84 N -0.98 4.58 -3.15 0.00 7.99 -1.26 -4.91 117.00 119.27 1tuz n LEU 84 Ca -0.08 -4.63 0.05 0.00 -0.01 0.00 0.00 56.01 51.33 1tuz n LEU 84 Cb 0.48 -0.27 -0.00 0.00 -0.11 0.00 0.00 43.42 43.51 1tuz n LEU 84 CO 0.10 2.02 0.26 0.54 -1.51 0.00 0.00 177.39 178.80 1tuz s ASN 85 N -3.61 -1.19 0.24 -1.43 2.20 -1.26 -5.12 114.94 104.77 1tuz s ASN 85 Ca 0.48 0.22 0.00 0.00 -0.94 0.00 0.00 52.86 52.63 1tuz s ASN 85 Cb 0.40 1.79 0.00 0.00 -2.00 0.00 0.00 41.25 41.44 1tuz s ASN 85 CO 0.01 -0.22 0.00 1.21 -2.94 0.00 0.00 177.10 175.17 1tuz n GLU 86 N 5.33 -2.53 -1.14 3.55 2.13 -1.26 -4.61 120.64 122.12 1tuz n GLU 86 Ca 0.05 1.85 -0.16 0.00 0.66 0.00 0.00 57.16 59.56 1tuz n GLU 86 Cb 0.55 -2.06 -0.14 0.00 0.27 0.00 0.00 31.44 30.06 1tuz n GLU 86 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1tuz n THR 87 N -0.47 3.09 -3.73 6.31 -1.04 -1.26 -4.65 114.28 112.53 1tuz n THR 87 Ca 0.00 -1.92 -0.29 0.00 -2.04 0.00 0.00 64.05 59.79 1tuz n THR 87 Cb 0.00 -1.88 -0.13 0.00 -1.82 0.00 0.00 70.33 66.50 1tuz n THR 87 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1tuz s ASN 88 N 1.53 3.67 -0.51 8.00 2.47 -1.26 -4.94 114.94 123.89 1tuz s ASN 88 Ca 0.64 -2.73 0.02 0.00 0.42 0.00 0.00 52.86 51.21 1tuz s ASN 88 Cb 0.34 -1.09 0.46 0.00 -1.45 0.00 0.00 41.25 39.51 1tuz s ASN 88 CO -0.06 -0.25 1.69 0.52 -3.72 0.00 0.00 177.10 175.27 1tuz n VAL 89 N 3.41 3.18 0.26 -5.21 0.31 -1.26 -4.64 118.33 114.37 1tuz n VAL 89 Ca 0.10 -3.45 0.05 0.00 -0.01 0.00 0.00 64.34 61.03 1tuz n VAL 89 Cb 0.35 -1.14 0.21 0.00 -0.91 0.00 0.00 33.84 32.35 1tuz n VAL 89 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1tuz n THR 90 N -0.84 1.42 -3.57 2.52 5.66 -1.26 -3.80 114.28 114.41 1tuz n THR 90 Ca 0.55 0.39 -0.39 0.00 -3.05 0.00 0.00 64.05 61.54 1tuz n THR 90 Cb 0.79 -1.27 -0.06 0.00 -1.55 0.00 0.00 70.33 68.25 1tuz n THR 90 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1tuz s LYS 91 N -3.06 3.25 -0.31 1.09 1.02 -1.26 -5.03 119.74 115.43 1tuz s LYS 91 Ca 0.03 -2.91 -0.21 0.00 0.02 0.00 0.00 55.97 52.90 1tuz s LYS 91 Cb 0.05 -4.05 -0.00 0.00 -0.52 0.00 0.00 37.83 33.31 1tuz s LYS 91 CO 0.16 -1.24 0.68 0.16 -0.92 0.00 0.00 175.35 174.19 1tuz s ASP 92 N 0.69 6.54 0.23 2.83 1.47 -1.25 -5.02 116.67 122.16 1tuz s ASP 92 Ca 0.23 0.47 -0.04 0.00 1.18 0.00 0.00 52.55 54.39 1tuz s ASP 92 Cb -0.12 -2.35 -0.02 0.00 -0.34 0.00 0.00 42.92 40.08 1tuz s ASP 92 CO -0.08 -0.54 0.28 0.68 0.68 0.00 0.00 175.17 176.19 1tuz s VAL 93 N 2.73 0.00 0.04 2.11 -7.23 -1.26 -4.18 120.40 112.61 1tuz s VAL 93 Ca 0.27 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.54 1tuz s VAL 93 Cb -0.15 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1tuz s VAL 93 CO 0.12 0.00 0.26 0.54 -0.31 0.00 0.00 175.10 175.72 1tuz s VAL 94 N -3.99 0.09 0.16 1.32 0.11 0.38 -4.54 120.40 113.93 1tuz s VAL 94 Ca 0.33 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 1tuz s VAL 94 Cb 0.04 -0.90 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 1tuz s VAL 94 CO 0.13 -0.41 1.13 0.00 -3.33 0.00 0.00 175.10 172.61 1tuz h LEU 96 N 5.35 0.13 -1.06 0.00 3.38 -1.96 -2.96 115.31 118.18 1tuz h LEU 96 Ca -0.44 -0.90 0.17 0.00 0.09 0.00 0.00 57.88 56.79 1tuz h LEU 96 Cb 1.21 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.83 1tuz h LEU 96 CO 0.74 1.21 0.62 0.78 0.09 0.00 0.00 178.44 181.87 1tuz h ASN 97 N -0.81 0.79 -0.50 -0.43 2.35 -1.92 1.38 115.58 116.44 1tuz h ASN 97 Ca -0.11 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1tuz h ASN 97 Cb 1.24 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 1tuz h ASN 97 CO 0.00 0.33 -0.04 0.44 -1.65 0.00 0.00 177.43 176.52 1tuz h ASP 98 N 0.80 0.93 0.00 5.81 3.32 -1.98 -2.31 116.42 123.00 1tuz h ASP 98 Ca 0.54 -0.26 -0.19 0.00 0.02 0.00 0.00 57.03 57.14 1tuz h ASP 98 Cb 0.79 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1tuz h ASP 98 CO -0.32 1.01 -0.67 0.58 -1.72 0.00 0.00 179.24 178.11 1tuz h VAL 99 N 0.86 1.32 -0.16 -1.35 2.07 -0.12 -2.83 116.25 116.04 1tuz h VAL 99 Ca 0.15 -1.94 0.05 0.00 0.82 0.00 0.00 66.70 65.78 1tuz h VAL 99 Cb 0.56 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1tuz h VAL 99 CO 0.03 0.60 0.12 -1.28 0.02 0.00 0.00 177.57 177.07 1tuz h SER 100 N 0.45 0.00 -0.08 0.57 0.87 0.19 -0.47 113.55 115.07 1tuz h SER 100 Ca -0.02 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 1tuz h SER 100 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1tuz h SER 100 CO 0.13 0.00 -0.17 0.00 -0.53 0.00 0.00 176.83 176.26 1tuz h TYR 102 N -0.20 0.04 -0.47 0.00 3.20 -1.01 -1.04 116.97 117.49 1tuz h TYR 102 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 1tuz h TYR 102 Cb 0.75 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1tuz h TYR 102 CO 0.11 -0.02 -0.02 0.74 -1.64 0.00 0.00 178.16 177.33 1tuz h PHE 103 N 0.13 0.86 -0.77 -3.82 0.04 -1.20 -1.88 116.94 110.30 1tuz h PHE 103 Ca 0.14 -0.13 0.03 0.00 2.80 0.00 0.00 57.97 60.82 1tuz h PHE 103 Cb 0.17 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.05 1tuz h PHE 103 CO -0.20 0.80 0.51 1.03 -0.60 0.00 0.00 178.31 179.85 1tuz h SER 104 N 0.74 0.82 0.20 2.17 0.87 -0.27 -0.68 113.55 117.41 1tuz h SER 104 Ca 0.14 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 1tuz h SER 104 Cb 0.48 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1tuz h SER 104 CO 0.02 0.57 -0.68 -0.07 -0.53 0.00 0.00 176.83 176.15 1tuz h LEU 105 N 0.96 0.50 0.29 2.23 4.07 -0.77 0.20 115.31 122.79 1tuz h LEU 105 Ca 0.30 -0.31 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1tuz h LEU 105 Cb 0.02 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.61 1tuz h LEU 105 CO -0.08 1.04 -0.20 -0.07 -1.08 0.00 0.00 178.44 178.05 1tuz h LEU 106 N 0.31 -0.51 -1.32 1.67 4.07 -0.36 1.28 115.31 120.45 1tuz h LEU 106 Ca -0.02 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1tuz h LEU 106 Cb 1.24 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 43.12 1tuz h LEU 106 CO 0.12 -0.29 -0.03 1.05 -1.08 0.00 0.00 178.44 178.20 1tuz h GLU 107 N -0.46 0.42 0.00 1.13 4.11 -1.38 -0.32 114.58 118.06 1tuz h GLU 107 Ca -0.04 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1tuz h GLU 107 Cb 0.38 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1tuz h GLU 107 CO 0.03 0.47 0.00 0.41 0.07 0.00 0.00 179.01 179.99 1tuz n GLY 108 N -0.92 -1.12 2.36 1.06 0.00 0.69 -3.24 105.19 104.03 1tuz n GLY 108 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 1.01 3.34 3.65 -0.02 0.00 0.44 -4.95 105.19 108.66 1tuz n GLY 109 Ca 0.16 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1tuz n GLY 109 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tuz s ARG 110 N -3.40 4.00 0.56 1.61 3.52 -0.89 -4.89 118.95 119.46 1tuz s ARG 110 Ca 0.36 2.25 -0.17 0.00 -0.13 0.00 0.00 55.73 58.04 1tuz s ARG 110 Cb 0.36 -4.10 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 1tuz s ARG 110 CO -0.03 -1.09 1.04 -1.25 -0.81 0.00 0.00 175.30 173.17 1tuz s PRO 111 N 4.53 3.49 -0.02 5.12 0.04 -1.26 -4.99 135.00 141.92 1tuz s PRO 111 Ca 0.81 1.20 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1tuz s PRO 111 Cb -0.35 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1tuz s PRO 111 CO 0.34 -0.67 -0.01 0.39 0.04 0.00 0.00 177.00 177.09 1tuz n GLU 112 N -1.77 1.33 -3.24 4.56 1.02 -1.26 -4.82 120.64 116.46 1tuz n GLU 112 Ca 0.09 0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 1tuz n GLU 112 Cb 0.53 -1.03 -0.04 0.00 -0.02 0.00 0.00 31.44 30.87 1tuz n GLU 112 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1tuz n ASP 113 N -2.38 4.84 -4.68 1.62 9.92 -1.26 -5.06 116.55 119.56 1tuz n ASP 113 Ca -0.03 -3.45 -0.30 0.00 -0.53 0.00 0.00 54.79 50.49 1tuz n ASP 113 Cb 0.53 -0.90 0.16 0.00 -0.64 0.00 0.00 41.12 40.27 1tuz n ASP 113 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1tuz s LYS 114 N -2.66 0.90 0.61 -1.24 1.02 -1.26 -4.91 119.74 112.20 1tuz s LYS 114 Ca 0.37 0.92 -0.15 0.00 0.02 0.00 0.00 55.97 57.12 1tuz s LYS 114 Cb 0.12 -1.76 -0.13 0.00 -0.52 0.00 0.00 37.83 35.54 1tuz s LYS 114 CO 0.03 -2.51 -0.34 1.47 -0.92 0.00 0.00 175.35 173.07 1tuz n LEU 115 N -4.08 -4.01 -3.72 3.17 -0.00 -1.26 -4.97 117.00 102.14 1tuz n LEU 115 Ca 0.07 0.41 -0.21 0.00 -0.00 0.00 0.00 56.01 56.28 1tuz n LEU 115 Cb 0.55 -0.71 -0.18 0.00 -0.00 0.00 0.00 43.42 43.08 1tuz n LEU 115 CO 0.55 -4.60 -0.36 -1.61 -0.00 0.00 0.00 177.39 171.38 1tuz s GLU 116 N -1.22 0.16 -0.92 1.47 8.01 -1.26 -5.06 118.70 119.88 1tuz s GLU 116 Ca 0.44 0.27 -0.01 0.00 0.01 0.00 0.00 54.97 55.67 1tuz s GLU 116 Cb -0.32 -0.64 0.27 0.00 -4.31 0.00 0.00 34.13 29.13 1tuz s GLU 116 CO 0.63 -0.30 1.10 0.91 0.01 0.00 0.00 175.26 177.61 1tuz n TRP 117 N 5.13 3.30 0.00 1.61 8.01 -1.26 -5.32 117.44 128.90 1tuz n TRP 117 Ca -0.07 -3.46 0.00 0.00 -1.31 0.00 0.00 57.50 52.66 1tuz n TRP 117 Cb 0.50 -1.07 0.00 0.00 -2.01 0.00 0.00 31.31 28.73 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13