#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 -1.44 -1.25 3.04 0.00 -1.26 -4.89 120.51 114.72 1tuz n ALA 2 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1tuz n ALA 2 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 -4.22 0.00 -2.21 0.00 3.00 -1.26 -5.02 118.16 108.45 1tuz n LYS 3 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1tuz n LYS 3 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1tuz n LYS 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1tuz n GLU 4 N 0.00 -4.57 -3.65 1.64 4.71 -1.26 -5.08 120.64 112.44 1tuz n GLU 4 Ca 0.00 3.27 -0.04 0.00 -0.01 0.00 0.00 57.16 60.39 1tuz n GLU 4 Cb 0.00 -3.97 -0.07 0.00 -1.01 0.00 0.00 31.44 26.39 1tuz n GLU 4 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1tuz s ARG 5 N -0.49 0.13 -0.97 3.49 6.06 -1.26 -4.94 118.95 120.97 1tuz s ARG 5 Ca 0.00 0.15 0.00 0.00 -2.50 0.00 0.00 55.73 53.38 1tuz s ARG 5 Cb 0.00 0.06 0.00 0.00 0.06 0.00 0.00 34.95 35.07 1tuz s ARG 5 CO 0.00 -0.02 0.00 0.41 -2.50 0.00 0.00 175.30 173.19 1tuz n GLY 6 N 1.70 0.87 3.57 8.12 0.00 -1.26 -4.86 105.19 113.33 1tuz n GLY 6 Ca -0.11 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.06 1.29 -1.77 0.99 4.77 -1.26 -4.76 117.00 115.21 1tuz n LEU 7 Ca -0.09 1.14 -0.19 0.00 -0.03 0.00 0.00 56.01 56.83 1tuz n LEU 7 Cb 0.56 -1.16 0.07 0.00 -2.33 0.00 0.00 43.42 40.56 1tuz n LEU 7 CO 0.14 -1.34 0.41 2.30 -1.33 0.00 0.00 177.39 177.57 1tuz n ILE 8 N 1.81 2.62 -1.14 -0.08 -5.35 -1.26 -4.99 119.36 110.97 1tuz n ILE 8 Ca 0.17 -3.78 0.13 0.00 -0.27 0.00 0.00 62.75 58.99 1tuz n ILE 8 Cb 0.21 -0.93 -0.05 0.00 -1.74 0.00 0.00 39.64 37.13 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 -0.84 -5.94 0.00 7.28 7.64 -1.26 -2.14 113.62 118.36 1tuz n SER 9 Ca 0.42 0.68 0.12 0.00 1.01 0.00 0.00 58.87 61.10 1tuz n SER 9 Cb 0.90 -3.66 0.64 0.00 -1.01 0.00 0.00 64.21 61.09 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 -3.54 0.54 -0.06 1.43 -0.04 -1.26 -1.88 135.00 130.19 1tuz n PRO 10 Ca -0.02 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 1tuz n PRO 10 Cb 0.63 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.01 0.08 3.54 0.02 -1.99 -1.87 113.55 113.32 1tuz h SER 11 Ca 0.00 -0.77 -0.28 0.00 -0.84 0.00 0.00 61.79 59.90 1tuz h SER 11 Cb 0.11 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.67 1tuz h SER 11 CO 0.00 0.87 -1.11 -0.78 -1.14 0.00 0.00 176.83 174.67 1tuz h ASP 12 N -0.98 0.87 -0.69 3.07 3.58 -1.40 -2.84 116.42 118.04 1tuz h ASP 12 Ca -0.00 -0.73 -0.05 0.00 0.42 0.00 0.00 57.03 56.66 1tuz h ASP 12 Cb 0.78 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1tuz h ASP 12 CO 0.00 1.54 0.23 0.15 -2.88 0.00 0.00 179.24 178.28 1tuz h PHE 13 N 0.34 1.11 0.53 0.28 3.57 -1.44 -0.26 116.94 121.07 1tuz h PHE 13 Ca -0.15 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 1tuz h PHE 13 Cb 1.77 -0.33 0.01 0.00 2.79 0.00 0.00 35.95 40.19 1tuz h PHE 13 CO 0.10 0.87 -0.25 0.00 -2.23 0.00 0.00 178.31 176.80 1tuz h ALA 14 N 1.21 -0.71 0.08 2.41 0.00 -1.37 1.23 119.26 122.12 1tuz h ALA 14 Ca 0.23 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1tuz h ALA 14 Cb 0.27 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1tuz h ALA 14 CO -0.01 -0.84 -0.35 0.37 0.00 0.00 0.00 179.25 178.42 1tuz h GLN 15 N -0.82 -0.53 -0.06 0.00 5.75 -1.38 1.30 115.11 119.37 1tuz h GLN 15 Ca -0.07 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1tuz h GLN 15 Cb 0.59 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 1tuz h GLN 15 CO 0.12 -0.35 -0.02 -0.07 -2.65 0.00 0.00 178.83 175.85 1tuz h LEU 16 N -0.55 -0.07 -0.63 -2.39 3.38 -1.01 1.36 115.31 115.40 1tuz h LEU 16 Ca 0.04 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1tuz h LEU 16 Cb 0.60 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1tuz h LEU 16 CO -0.23 -0.03 0.30 -0.61 0.09 0.00 0.00 178.44 177.96 1tuz h GLN 17 N -0.01 0.53 0.52 1.13 4.15 0.21 0.46 115.11 122.10 1tuz h GLN 17 Ca 0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1tuz h GLN 17 Cb 0.06 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1tuz h GLN 17 CO -0.07 0.35 -0.25 -0.22 -1.93 0.00 0.00 178.83 176.71 1tuz h LYS 18 N 0.55 -0.68 -1.13 1.69 3.64 0.23 -0.80 116.57 120.07 1tuz h LYS 18 Ca 0.30 0.05 0.32 0.00 -1.27 0.00 0.00 60.65 60.05 1tuz h LYS 18 Cb 0.28 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1tuz h LYS 18 CO -0.24 -0.41 0.80 1.88 -2.27 0.00 0.00 179.45 179.21 1tuz h TYR 19 N -1.14 0.13 0.08 1.91 -1.99 0.20 0.49 116.97 116.65 1tuz h TYR 19 Ca -0.07 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.38 1tuz h TYR 19 Cb 0.57 -0.04 0.02 0.00 2.00 0.00 0.00 36.73 39.29 1tuz h TYR 19 CO 0.01 0.01 -1.16 1.98 -0.00 0.00 0.00 178.16 178.99 1tuz h MET 20 N 0.07 0.57 -1.57 4.88 4.05 0.03 -3.18 114.93 119.78 1tuz h MET 20 Ca 0.56 -0.72 0.50 0.00 -0.28 0.00 0.00 59.70 59.76 1tuz h MET 20 Cb 2.07 0.23 -0.12 0.00 -0.80 0.00 0.00 31.60 32.99 1tuz h MET 20 CO -0.06 1.31 1.06 1.05 0.23 0.00 0.00 176.91 180.50 1tuz h GLU 21 N 0.27 0.01 0.12 0.39 -0.00 0.15 1.53 114.58 117.06 1tuz h GLU 21 Ca -0.16 -0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 58.88 1tuz h GLU 21 Cb 1.83 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.57 1tuz h GLU 21 CO 0.22 0.01 -1.70 -0.92 -0.00 0.00 0.00 179.01 176.61 1tuz h TYR 22 N 0.02 0.47 -3.02 2.06 3.20 -1.58 -3.45 116.97 114.67 1tuz h TYR 22 Ca 0.89 -0.34 -0.55 0.00 3.14 0.00 0.00 58.73 61.86 1tuz h TYR 22 Cb 3.11 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 41.34 1tuz h TYR 22 CO -0.00 1.49 0.77 0.45 -1.64 0.00 0.00 178.16 179.23 1tuz s SER 23 N -6.96 7.00 -0.06 -2.11 0.15 0.52 -4.87 113.70 107.36 1tuz s SER 23 Ca -0.13 1.81 0.09 0.00 0.70 0.00 0.00 55.95 58.43 1tuz s SER 23 Cb 0.07 -2.55 0.14 0.00 -1.71 0.00 0.00 66.02 61.96 1tuz s SER 23 CO 0.83 -0.65 1.03 1.07 1.20 0.00 0.00 173.24 176.72 1tuz n THR 24 N 4.83 1.14 -2.31 6.45 5.66 -1.26 -4.84 114.28 123.95 1tuz n THR 24 Ca 0.12 -1.33 -0.25 0.00 -3.05 0.00 0.00 64.05 59.54 1tuz n THR 24 Cb 0.46 0.18 0.15 0.00 -1.55 0.00 0.00 70.33 69.57 1tuz n THR 24 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1tuz n LYS 25 N -0.81 -0.58 -4.23 1.09 5.02 -1.26 -5.08 118.16 112.30 1tuz n LYS 25 Ca 0.08 -2.38 -0.35 0.00 -2.02 0.00 0.00 58.31 53.63 1tuz n LYS 25 Cb 0.55 -0.93 -0.08 0.00 -0.02 0.00 0.00 35.03 34.55 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 -5.37 3.11 0.47 1.97 -0.14 -1.26 -4.98 119.74 113.53 1tuz s LYS 26 Ca 0.68 -0.34 0.26 0.00 -1.36 0.00 0.00 55.97 55.22 1tuz s LYS 26 Cb -0.03 -2.90 1.03 0.00 -1.68 0.00 0.00 37.83 34.24 1tuz s LYS 26 CO 0.46 0.72 1.86 -0.24 -0.76 0.00 0.00 175.35 177.40 1tuz h VAL 27 N 4.06 0.41 0.00 3.17 3.04 -1.97 -2.26 116.25 122.70 1tuz h VAL 27 Ca -0.52 -0.96 -0.05 0.00 -1.01 0.00 0.00 66.70 64.16 1tuz h VAL 27 Cb 1.20 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 32.18 1tuz h VAL 27 CO 0.56 0.16 -0.22 0.77 -1.01 0.00 0.00 177.57 177.82 1tuz h SER 28 N 0.00 0.00 -0.08 3.17 4.64 -1.95 -0.26 113.55 119.07 1tuz h SER 28 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1tuz h SER 28 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1tuz h SER 28 CO 0.02 0.22 -0.35 0.44 -0.87 0.00 0.00 176.83 176.30 1tuz h ASP 29 N 0.00 0.44 0.66 4.97 5.19 -1.82 -2.90 116.42 122.95 1tuz h ASP 29 Ca -0.00 -0.65 -0.08 0.00 -0.62 0.00 0.00 57.03 55.68 1tuz h ASP 29 Cb 0.67 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 1tuz h ASP 29 CO 0.03 1.01 -0.40 0.58 -3.12 0.00 0.00 179.24 177.34 1tuz h VAL 30 N -0.11 1.04 0.49 -1.35 2.07 -1.50 -2.70 116.25 114.19 1tuz h VAL 30 Ca -0.02 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 1tuz h VAL 30 Cb 1.00 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1tuz h VAL 30 CO 0.07 0.39 -0.31 0.25 0.02 0.00 0.00 177.57 177.99 1tuz h LEU 31 N 0.00 -0.77 -1.51 2.57 5.85 -0.97 -1.06 115.31 119.42 1tuz h LEU 31 Ca -0.00 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1tuz h LEU 31 Cb 0.83 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1tuz h LEU 31 CO 0.05 -0.48 0.37 0.07 -0.34 0.00 0.00 178.44 178.11 1tuz h LYS 32 N -0.76 0.63 -0.70 1.25 2.10 -1.45 0.89 116.57 118.53 1tuz h LYS 32 Ca -0.06 -0.04 0.07 0.00 -2.00 0.00 0.00 60.65 58.63 1tuz h LYS 32 Cb 0.63 -0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 31.75 1tuz h LYS 32 CO 0.05 0.41 0.38 -0.07 -2.00 0.00 0.00 179.45 178.23 1tuz h LEU 33 N 0.64 0.55 0.00 7.07 3.38 -1.01 0.91 115.31 126.85 1tuz h LEU 33 Ca 0.22 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1tuz h LEU 33 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1tuz h LEU 33 CO -0.06 0.35 -0.13 0.49 0.09 0.00 0.00 178.44 179.18 1tuz n PHE 34 N -4.79 0.67 -0.07 1.13 3.01 -0.34 0.05 117.46 117.12 1tuz n PHE 34 Ca 0.10 0.19 -0.06 0.00 1.01 0.00 0.00 57.45 58.69 1tuz n PHE 34 Cb 0.20 -0.79 -0.03 0.00 -0.01 0.00 0.00 39.48 38.85 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 0.15 -3.12 114.58 114.93 1tuz h GLU 35 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 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 0.21 -1.43 -3.47 -1.16 0.00 0.00 179.01 173.16 1tuz n ASP 36 N -4.66 3.46 -4.68 1.42 2.03 0.29 -4.77 116.55 109.63 1tuz n ASP 36 Ca -0.07 -0.01 -0.32 0.00 0.52 0.00 0.00 54.79 54.90 1tuz n ASP 36 Cb 0.23 0.46 0.15 0.00 -0.72 0.00 0.00 41.12 41.24 1tuz n ASP 36 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1tuz s GLY 37 N -4.00 1.93 0.57 0.27 0.00 0.11 -4.74 107.32 101.45 1tuz s GLY 37 Ca -0.05 0.73 0.35 0.00 0.00 0.00 0.00 44.72 45.74 1tuz s GLY 37 CO 0.23 1.15 1.70 1.05 0.00 0.00 0.00 173.10 177.23 1tuz h GLU 38 N -1.40 0.00 0.00 2.90 4.11 -1.91 1.09 114.58 119.37 1tuz h GLU 38 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1tuz h GLU 38 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1tuz h GLU 38 CO 0.44 0.00 0.13 0.52 0.07 0.00 0.00 179.01 180.17 1tuz h MET 39 N 0.00 0.00 0.00 1.06 2.86 -1.78 0.66 114.93 117.73 1tuz h MET 39 Ca 0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 1tuz h MET 39 Cb 2.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.98 1tuz h MET 39 CO -0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.96 1tuz n ALA 40 N -1.79 2.43 0.28 6.32 0.00 0.37 -3.07 120.51 125.04 1tuz n ALA 40 Ca -0.02 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1tuz n ALA 40 Cb 0.17 -1.44 0.78 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.57 0.00 2.10 0.16 -0.43 116.57 117.83 1tuz h LYS 41 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 1tuz h LYS 41 Cb 0.11 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.25 1tuz h LYS 41 CO 0.00 0.02 0.10 0.66 -2.00 0.00 0.00 179.45 178.23 1tuz n TYR 42 N -4.11 1.78 -4.86 0.07 4.02 -1.18 -4.94 117.16 107.95 1tuz n TYR 42 Ca -0.03 -1.80 -0.28 0.00 -0.01 0.00 0.00 57.90 55.77 1tuz n TYR 42 Cb 0.11 -0.65 -0.17 0.00 -0.02 0.00 0.00 39.34 38.61 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 -3.45 1.61 -0.16 -0.72 1.01 -0.17 -4.10 120.40 114.41 1tuz s VAL 43 Ca 0.49 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1tuz s VAL 43 Cb 0.43 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1tuz s VAL 43 CO 0.02 0.46 0.03 0.00 0.00 0.00 0.00 175.10 175.61 1tuz s GLN 44 N 0.56 3.77 2.89 2.72 -2.07 0.54 -4.92 119.66 123.14 1tuz s GLN 44 Ca -0.16 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 52.99 1tuz s GLN 44 Cb -0.17 -3.08 0.00 0.00 -1.09 0.00 0.00 33.01 28.67 1tuz s GLN 44 CO 0.05 0.33 0.00 0.41 -1.32 0.00 0.00 175.29 174.76 1tuz n GLY 45 N 3.33 0.36 0.37 2.60 0.00 -1.26 0.32 105.19 110.91 1tuz n GLY 45 Ca -0.17 0.68 0.02 0.00 0.00 0.00 0.00 46.02 46.55 1tuz n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tuz n ASP 46 N 6.32 0.54 -4.36 1.61 5.75 -1.26 -5.08 116.55 120.07 1tuz n ASP 46 Ca 0.00 -2.18 -0.19 0.00 -0.01 0.00 0.00 54.79 52.41 1tuz n ASP 46 Cb 0.00 -0.24 -0.10 0.00 -1.03 0.00 0.00 41.12 39.75 1tuz n ASP 46 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tuz s ALA 47 N -0.64 2.01 0.13 2.12 0.00 0.15 -4.42 121.76 121.12 1tuz s ALA 47 Ca 0.07 -1.93 0.05 0.00 0.00 0.00 0.00 51.96 50.15 1tuz s ALA 47 Cb 0.06 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 1tuz s ALA 47 CO 0.01 -0.40 -0.11 -1.50 0.00 0.00 0.00 175.76 173.76 1tuz s ILE 48 N -3.56 1.18 0.39 0.00 2.07 -0.61 -0.34 121.20 120.33 1tuz s ILE 48 Ca 0.37 -1.88 -0.00 0.00 -1.41 0.00 0.00 60.65 57.72 1tuz s ILE 48 Cb 0.08 -1.66 0.08 0.00 0.13 0.00 0.00 42.46 41.09 1tuz s ILE 48 CO 0.15 -0.62 0.54 0.61 -1.91 0.00 0.00 174.94 173.71 1tuz n GLY 49 N 0.15 0.67 0.14 1.50 0.00 -1.26 0.10 105.19 106.49 1tuz n GLY 49 Ca -0.13 -1.99 0.02 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.52 0.00 -0.08 1.61 3.20 -1.96 -3.19 116.97 116.03 1tuz h TYR 50 Ca -0.18 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.54 1tuz h TYR 50 Cb 0.65 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1tuz h TYR 50 CO 0.00 0.53 -0.63 1.49 -1.64 0.00 0.00 178.16 177.91 1tuz h GLU 51 N 0.00 0.29 -0.68 1.82 4.57 -1.94 -3.12 114.58 115.52 1tuz h GLU 51 Ca -0.01 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 57.91 1tuz h GLU 51 Cb 1.36 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.96 1tuz h GLU 51 CO 0.07 0.83 0.19 0.78 -1.18 0.00 0.00 179.01 179.69 1tuz h GLY 52 N 1.43 1.15 1.06 1.92 0.00 -1.81 -2.24 103.07 104.57 1tuz h GLY 52 Ca -0.01 -0.70 0.12 0.00 0.00 0.00 0.00 47.33 46.74 1tuz h GLY 52 CO 0.10 0.65 0.35 0.74 0.00 0.00 0.00 176.54 178.39 1tuz h PHE 53 N 1.00 0.00 0.78 5.60 0.04 -1.57 -0.87 116.94 121.92 1tuz h PHE 53 Ca 0.22 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 1tuz h PHE 53 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1tuz h PHE 53 CO 0.03 0.00 -0.45 1.96 -0.60 0.00 0.00 178.31 179.25 1tuz h GLN 54 N 0.00 -1.10 0.00 1.51 1.08 -1.47 -1.23 115.11 113.91 1tuz h GLN 54 Ca 0.20 0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.43 1tuz h GLN 54 Cb 0.90 0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 1tuz h GLN 54 CO -0.00 -0.73 -0.17 -0.56 -0.95 0.00 0.00 178.83 176.41 1tuz h GLN 55 N -1.14 0.00 0.06 1.46 3.07 -1.49 -2.81 115.11 114.25 1tuz h GLN 55 Ca -0.11 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.64 1tuz h GLN 55 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.45 1tuz h GLN 55 CO 0.13 0.17 -0.09 0.35 0.09 0.00 0.00 178.83 179.48 1tuz h PHE 56 N 0.00 -0.23 -0.12 0.06 3.04 -0.75 -0.13 116.94 118.81 1tuz h PHE 56 Ca -0.00 0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.99 1tuz h PHE 56 Cb 0.35 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.94 1tuz h PHE 56 CO 0.00 -0.14 0.29 -0.07 -2.02 0.00 0.00 178.31 176.37 1tuz h LEU 57 N -0.18 0.00 0.62 0.59 3.38 -0.96 1.57 115.31 120.32 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 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1tuz h LEU 57 CO -0.05 0.00 -0.30 0.50 0.09 0.00 0.00 178.44 178.68 1tuz h LYS 58 N 0.00 -0.80 -0.00 1.13 3.64 -1.04 -1.46 116.57 118.03 1tuz h LYS 58 Ca 0.06 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1tuz h LYS 58 Cb 0.64 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1tuz h LYS 58 CO -0.00 -0.50 -0.21 0.82 -2.27 0.00 0.00 179.45 177.29 1tuz h ILE 59 N -1.16 1.55 0.00 2.00 2.04 -0.98 0.46 117.51 121.42 1tuz h ILE 59 Ca -0.08 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.87 1tuz h ILE 59 Cb 0.67 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1tuz h ILE 59 CO 0.14 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.81 1tuz n TYR 60 N -4.54 0.00 0.51 1.37 9.36 0.52 -1.15 117.16 123.23 1tuz n TYR 60 Ca -0.10 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.19 1tuz n TYR 60 Cb 0.48 -0.33 0.30 0.00 -0.63 0.00 0.00 39.34 39.16 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 -1.94 0.00 -2.52 2.98 4.77 -0.55 -4.83 117.00 114.90 1tuz n LEU 61 Ca 0.00 0.44 -0.20 0.00 -0.03 0.00 0.00 56.01 56.22 1tuz n LEU 61 Cb 0.00 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1tuz n LEU 61 CO 0.00 -0.24 -0.11 1.21 -1.33 0.00 0.00 177.39 176.92 1tuz n GLU 62 N -1.44 -3.19 -3.55 3.23 0.00 0.04 -4.42 120.64 111.31 1tuz n GLU 62 Ca 0.04 0.89 -0.22 0.00 0.00 0.00 0.00 57.16 57.87 1tuz n GLU 62 Cb 0.14 -5.54 -0.01 0.00 0.00 0.00 0.00 31.44 26.04 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 -3.06 4.85 -0.63 6.31 -7.23 0.14 -4.94 120.40 115.85 1tuz s VAL 63 Ca 0.15 -0.73 0.22 0.00 -1.81 0.00 0.00 61.98 59.81 1tuz s VAL 63 Cb -0.07 -3.74 -0.20 0.00 0.56 0.00 0.00 36.38 32.93 1tuz s VAL 63 CO 0.19 -0.39 0.87 -0.67 -0.31 0.00 0.00 175.10 174.79 1tuz n ASP 64 N -1.67 0.61 -3.15 4.85 2.03 -1.26 -4.43 116.55 113.53 1tuz n ASP 64 Ca -0.05 -0.44 0.04 0.00 0.52 0.00 0.00 54.79 54.87 1tuz n ASP 64 Cb 0.57 1.12 -0.01 0.00 -0.72 0.00 0.00 41.12 42.09 1tuz n ASP 64 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1tuz s ASN 65 N -3.71 -1.22 0.13 1.67 -0.87 -1.26 -5.07 114.94 104.61 1tuz s ASN 65 Ca 0.03 0.53 -0.06 0.00 -1.57 0.00 0.00 52.86 51.79 1tuz s ASN 65 Cb 0.15 1.93 -0.06 0.00 -0.02 0.00 0.00 41.25 43.25 1tuz s ASN 65 CO 0.85 -0.23 0.39 0.54 -2.57 0.00 0.00 177.10 176.08 1tuz s VAL 66 N 2.88 5.14 0.02 1.60 0.11 -1.26 -5.05 120.40 123.84 1tuz s VAL 66 Ca 0.15 0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 59.05 1tuz s VAL 66 Cb -0.12 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 1tuz s VAL 66 CO -0.21 0.10 1.18 -2.16 -3.33 0.00 0.00 175.10 170.69 1tuz s PRO 67 N -2.47 4.42 0.38 1.54 0.04 -1.26 -4.92 135.00 132.73 1tuz s PRO 67 Ca 0.39 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.19 1tuz s PRO 67 Cb -0.12 -3.42 0.74 0.00 0.04 0.00 0.00 34.50 31.74 1tuz s PRO 67 CO 0.23 -0.30 2.03 -0.09 0.04 0.00 0.00 177.00 178.91 1tuz h ARG 68 N 7.00 0.69 -0.97 4.56 1.12 -1.98 -1.02 114.38 123.78 1tuz h ARG 68 Ca -0.39 -0.04 0.16 0.00 -1.11 0.00 0.00 59.98 58.59 1tuz h ARG 68 Cb 1.20 -0.16 -0.09 0.00 -0.01 0.00 0.00 29.97 30.92 1tuz h ARG 68 CO 0.83 0.46 0.61 1.25 -3.11 0.00 0.00 179.97 180.01 1tuz h HIS 69 N 0.72 0.99 -0.04 2.20 2.76 -1.99 0.59 115.15 120.37 1tuz h HIS 69 Ca 0.20 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 1tuz h HIS 69 Cb -0.06 -0.31 0.01 0.00 1.55 0.00 0.00 27.41 28.60 1tuz h HIS 69 CO -0.00 0.31 -0.33 1.25 -1.30 0.00 0.00 177.93 177.86 1tuz h LEU 70 N 0.79 0.36 -1.95 0.26 5.85 -1.61 -2.59 115.31 116.42 1tuz h LEU 70 Ca 0.51 -0.69 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1tuz h LEU 70 Cb 0.76 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1tuz h LEU 70 CO -0.29 1.00 0.21 0.77 -0.34 0.00 0.00 178.44 179.79 1tuz h SER 71 N -0.25 0.05 -0.03 1.25 4.64 -0.45 1.46 113.55 120.22 1tuz h SER 71 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1tuz h SER 71 Cb 1.01 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1tuz h SER 71 CO 0.07 0.04 -0.03 0.25 -0.87 0.00 0.00 176.83 176.28 1tuz h LEU 72 N 0.06 0.08 -0.78 5.97 5.85 0.18 -2.63 115.31 124.05 1tuz h LEU 72 Ca 0.14 -0.51 -0.13 0.00 0.84 0.00 0.00 57.88 58.22 1tuz h LEU 72 Cb 0.47 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1tuz h LEU 72 CO -0.01 0.57 -0.49 0.00 -0.34 0.00 0.00 178.44 178.17 1tuz h ALA 73 N 0.51 0.96 -0.76 1.25 0.00 -0.84 -2.58 119.26 117.81 1tuz h ALA 73 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 54.54 1tuz h ALA 73 Cb 0.55 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1tuz h ALA 73 CO 0.01 0.65 0.40 -0.07 0.00 0.00 0.00 179.25 180.24 1tuz h LEU 74 N 0.23 0.54 -0.08 0.00 3.38 0.20 0.36 115.31 119.94 1tuz h LEU 74 Ca 0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1tuz h LEU 74 Cb 0.95 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1tuz h LEU 74 CO 0.08 0.30 -0.04 0.15 0.09 0.00 0.00 178.44 179.02 1tuz h PHE 75 N 0.67 0.20 -0.53 1.13 3.57 -1.25 -3.11 116.94 117.62 1tuz h PHE 75 Ca 0.37 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.89 1tuz h PHE 75 Cb 0.38 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1tuz h PHE 75 CO -0.09 0.55 0.21 1.96 -2.23 0.00 0.00 178.31 178.71 1tuz h GLN 76 N -0.21 0.39 -0.39 1.11 4.20 -0.99 -2.60 115.11 116.62 1tuz h GLN 76 Ca 0.02 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1tuz h GLN 76 Cb 0.50 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.11 1tuz h GLN 76 CO 0.01 0.26 -0.54 1.03 -0.67 0.00 0.00 178.83 178.92 1tuz h SER 77 N 0.40 -1.81 -3.27 1.46 0.87 -0.29 -3.39 113.55 107.52 1tuz h SER 77 Ca 0.25 0.24 -0.65 0.00 -1.23 0.00 0.00 61.79 60.40 1tuz h SER 77 Cb 0.26 0.74 -0.34 0.00 -0.44 0.00 0.00 62.40 62.62 1tuz h SER 77 CO -0.24 -0.40 -0.86 -0.36 -0.53 0.00 0.00 176.83 174.44 1tuz s PHE 78 N -5.57 2.44 -0.22 2.24 0.40 -0.98 -4.74 117.98 111.54 1tuz s PHE 78 Ca -0.14 -1.13 -0.10 0.00 -0.60 0.00 0.00 56.93 54.96 1tuz s PHE 78 Cb 0.08 -1.67 0.08 0.00 0.51 0.00 0.00 43.02 42.03 1tuz s PHE 78 CO 0.60 -0.51 0.51 -2.00 0.70 0.00 0.00 175.22 174.51 1tuz s GLU 79 N 0.69 0.46 0.07 0.44 2.12 -1.24 -4.59 118.70 116.66 1tuz s GLU 79 Ca -0.11 1.05 0.21 0.00 0.36 0.00 0.00 54.97 56.48 1tuz s GLU 79 Cb -0.16 0.25 -0.16 0.00 0.26 0.00 0.00 34.13 34.32 1tuz s GLU 79 CO 0.02 -0.19 0.74 -2.37 -0.54 0.00 0.00 175.26 172.92 1tuz n THR 80 N 4.79 0.58 -2.46 -1.70 5.66 -1.26 -4.70 114.28 115.18 1tuz n THR 80 Ca -0.17 -0.58 -0.39 0.00 -3.05 0.00 0.00 64.05 59.86 1tuz n THR 80 Cb 0.53 -0.31 -0.02 0.00 -1.55 0.00 0.00 70.33 68.98 1tuz n THR 80 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1tuz s GLY 81 N -4.58 1.18 0.33 1.09 0.00 -1.20 -4.94 107.32 99.21 1tuz s GLY 81 Ca -0.04 -2.42 0.04 0.00 0.00 0.00 0.00 44.72 42.30 1tuz s GLY 81 CO 0.84 2.88 0.46 1.57 0.00 0.00 0.00 173.10 178.85 1tuz n HIS 82 N 9.80 -2.77 -3.78 1.90 -0.00 -1.26 -4.97 115.22 114.14 1tuz n HIS 82 Ca 0.41 -1.09 -0.30 0.00 0.46 0.00 0.00 57.72 57.21 1tuz n HIS 82 Cb 0.48 -0.32 -0.13 0.00 -0.12 0.00 0.00 29.99 29.89 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 3.51 7.41 -2.00 0.00 7.99 -1.26 -4.87 117.00 127.78 1tuz n LEU 84 Ca 0.07 -4.26 -0.01 0.00 -0.01 0.00 0.00 56.01 51.80 1tuz n LEU 84 Cb 0.34 -1.03 -0.01 0.00 -0.11 0.00 0.00 43.42 42.61 1tuz n LEU 84 CO 0.26 1.52 -0.24 -3.20 -1.51 0.00 0.00 177.39 174.23 1tuz n ASN 85 N -0.52 -3.48 -2.61 -1.43 5.15 -1.26 -4.65 115.26 106.46 1tuz n ASN 85 Ca 0.55 0.60 -0.02 0.00 -0.60 0.00 0.00 54.58 55.11 1tuz n ASN 85 Cb 0.54 -2.84 0.00 0.00 -0.53 0.00 0.00 39.78 36.95 1tuz n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tuz n GLU 86 N 0.44 -0.28 -0.66 1.20 -0.58 -1.26 -4.88 120.64 114.61 1tuz n GLU 86 Ca -0.06 0.63 0.04 0.00 -0.42 0.00 0.00 57.16 57.35 1tuz n GLU 86 Cb 0.09 -0.81 0.20 0.00 -0.57 0.00 0.00 31.44 30.36 1tuz n GLU 86 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1tuz n THR 87 N 1.03 2.25 -3.48 2.62 -1.04 -1.26 -4.93 114.28 109.46 1tuz n THR 87 Ca -0.00 -3.25 -0.21 0.00 -2.04 0.00 0.00 64.05 58.55 1tuz n THR 87 Cb 0.40 -0.28 0.08 0.00 -1.82 0.00 0.00 70.33 68.71 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 -1.11 -5.17 -4.32 8.00 5.15 -1.26 -4.94 115.26 111.60 1tuz n ASN 88 Ca 0.21 -0.52 -0.46 0.00 -0.60 0.00 0.00 54.58 53.21 1tuz n ASN 88 Cb 0.73 -4.76 -0.04 0.00 -0.53 0.00 0.00 39.78 35.18 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 -3.31 5.34 0.00 3.44 1.01 -1.26 -4.74 120.40 120.88 1tuz s VAL 89 Ca 0.42 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1tuz s VAL 89 Cb -0.19 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1tuz s VAL 89 CO 0.68 -0.95 0.33 1.07 0.00 0.00 0.00 175.10 176.23 1tuz n THR 90 N 4.77 0.00 -3.63 3.92 5.66 -1.26 -4.90 114.28 118.85 1tuz n THR 90 Ca -0.03 -0.42 -0.29 0.00 -3.05 0.00 0.00 64.05 60.26 1tuz n THR 90 Cb 0.43 1.12 -0.13 0.00 -1.55 0.00 0.00 70.33 70.20 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 -0.19 0.94 -0.78 1.09 0.00 -1.26 -5.06 119.74 114.49 1tuz s LYS 91 Ca 0.00 -1.62 -0.26 0.00 0.00 0.00 0.00 55.97 54.09 1tuz s LYS 91 Cb 0.00 -1.93 -0.14 0.00 0.00 0.00 0.00 37.83 35.76 1tuz s LYS 91 CO 0.00 -1.15 2.42 0.16 0.00 0.00 0.00 175.35 176.78 1tuz s ASP 92 N 0.80 3.88 0.43 0.03 -4.77 -1.26 -4.87 116.67 110.91 1tuz s ASP 92 Ca 0.16 0.08 0.06 0.00 -3.30 0.00 0.00 52.55 49.56 1tuz s ASP 92 Cb -0.23 -2.55 -0.06 0.00 -1.09 0.00 0.00 42.92 38.99 1tuz s ASP 92 CO -0.04 -3.88 0.07 0.68 0.70 0.00 0.00 175.17 172.70 1tuz s VAL 93 N 14.83 1.98 0.04 2.11 -7.23 -1.26 -3.78 120.40 127.09 1tuz s VAL 93 Ca 0.93 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1tuz s VAL 93 Cb -0.13 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1tuz s VAL 93 CO 0.08 0.00 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.14 1tuz s VAL 94 N -2.70 0.24 0.20 1.32 1.01 0.28 -3.23 120.40 117.52 1tuz s VAL 94 Ca 0.33 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1tuz s VAL 94 Cb 0.07 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 1tuz s VAL 94 CO 0.18 -0.65 1.11 0.00 0.00 0.00 0.00 175.10 175.74 1tuz h LEU 96 N 4.88 -0.20 -1.84 0.00 4.07 -1.95 -2.38 115.31 117.89 1tuz h LEU 96 Ca -0.45 -0.33 0.14 0.00 0.08 0.00 0.00 57.88 57.32 1tuz h LEU 96 Cb 1.21 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.97 1tuz h LEU 96 CO 0.72 0.33 0.40 -1.13 -1.08 0.00 0.00 178.44 177.67 1tuz h ASN 97 N -0.83 0.16 -0.41 -0.43 -1.24 -1.92 0.22 115.58 111.11 1tuz h ASN 97 Ca -0.02 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 56.93 1tuz h ASN 97 Cb 0.52 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1tuz h ASN 97 CO 0.04 0.09 0.03 0.44 -1.29 0.00 0.00 177.43 176.73 1tuz h ASP 98 N 0.17 0.68 0.18 1.15 5.19 -1.94 -2.08 116.42 119.77 1tuz h ASP 98 Ca 0.28 -0.29 -0.09 0.00 -0.62 0.00 0.00 57.03 56.30 1tuz h ASP 98 Cb 0.86 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1tuz h ASP 98 CO -0.04 0.80 -0.34 0.58 -3.12 0.00 0.00 179.24 177.13 1tuz h VAL 99 N 0.54 1.28 0.00 -1.35 2.07 -0.16 -1.77 116.25 116.86 1tuz h VAL 99 Ca 0.12 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1tuz h VAL 99 Cb 0.44 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1tuz h VAL 99 CO 0.02 0.40 -0.12 -1.28 0.02 0.00 0.00 177.57 176.60 1tuz h SER 100 N 0.21 0.00 0.01 0.57 0.87 -0.39 0.15 113.55 114.97 1tuz h SER 100 Ca 0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1tuz h SER 100 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1tuz h SER 100 CO 0.05 0.12 -0.00 0.00 -0.53 0.00 0.00 176.83 176.47 1tuz h TYR 102 N -0.86 -0.53 -0.44 0.00 3.20 -1.14 -2.53 116.97 114.66 1tuz h TYR 102 Ca -0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.90 1tuz h TYR 102 Cb 0.80 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1tuz h TYR 102 CO 0.21 -0.31 0.30 0.74 -1.64 0.00 0.00 178.16 177.46 1tuz h PHE 103 N -0.61 0.40 -0.56 -3.82 -1.00 -0.84 -0.20 116.94 110.30 1tuz h PHE 103 Ca -0.06 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.76 1tuz h PHE 103 Cb 0.46 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 1tuz h PHE 103 CO -0.04 0.23 0.37 1.03 -1.61 0.00 0.00 178.31 178.29 1tuz h SER 104 N 0.41 0.57 0.06 2.17 0.87 -0.93 -0.40 113.55 116.29 1tuz h SER 104 Ca 0.19 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.56 1tuz h SER 104 Cb 0.23 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1tuz h SER 104 CO -0.05 0.39 -0.65 -0.07 -0.53 0.00 0.00 176.83 175.92 1tuz h LEU 105 N 0.66 0.65 0.03 2.23 3.38 -0.74 0.62 115.31 122.15 1tuz h LEU 105 Ca 0.23 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1tuz h LEU 105 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1tuz h LEU 105 CO -0.06 1.13 -0.06 -0.07 0.09 0.00 0.00 178.44 179.47 1tuz h LEU 106 N 0.41 -0.17 -0.33 1.67 -0.00 -0.74 -2.68 115.31 113.47 1tuz h LEU 106 Ca -0.02 0.02 -0.20 0.00 -0.00 0.00 0.00 57.88 57.69 1tuz h LEU 106 Cb 1.23 0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1tuz h LEU 106 CO 0.12 -0.10 -0.81 -0.33 -0.00 0.00 0.00 178.44 177.33 1tuz h GLU 107 N -0.13 0.35 0.00 1.13 5.08 -1.23 -3.49 114.58 116.30 1tuz h GLU 107 Ca 0.01 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1tuz h GLU 107 Cb 0.14 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1tuz h GLU 107 CO -0.04 0.99 0.00 0.41 -1.00 0.00 0.00 179.01 179.37 1tuz n GLY 108 N 0.71 0.26 2.62 -3.84 0.00 0.19 -5.09 105.19 100.03 1tuz n GLY 108 Ca -0.05 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 0.82 3.61 -0.02 0.00 0.53 -4.96 105.19 105.16 1tuz n GLY 109 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 0.14 3.96 0.68 1.61 3.52 -1.26 -4.82 118.95 122.78 1tuz s ARG 110 Ca 0.14 -0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 55.29 1tuz s ARG 110 Cb 0.30 -3.39 -0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1tuz s ARG 110 CO -0.07 0.08 1.06 -1.25 -0.81 0.00 0.00 175.30 174.30 1tuz s PRO 111 N 0.95 3.01 0.42 5.12 0.04 -1.26 -4.94 135.00 138.35 1tuz s PRO 111 Ca 0.06 0.99 0.29 0.00 0.04 0.00 0.00 61.00 62.38 1tuz s PRO 111 Cb -0.14 -2.00 1.17 0.00 0.04 0.00 0.00 34.50 33.58 1tuz s PRO 111 CO 0.03 -1.04 1.86 0.93 0.04 0.00 0.00 177.00 178.82 1tuz h GLU 112 N -0.52 0.00 -6.91 4.56 3.07 -2.06 -3.45 114.58 109.26 1tuz h GLU 112 Ca -0.44 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 57.87 1tuz h GLU 112 Cb 1.21 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.79 1tuz h GLU 112 CO 0.57 0.00 -0.80 -3.47 -1.40 0.00 0.00 179.01 173.91 1tuz n ASP 113 N -2.71 -1.82 -3.61 1.42 2.03 -1.26 -4.83 116.55 105.76 1tuz n ASP 113 Ca 0.01 -1.02 -0.19 0.00 0.52 0.00 0.00 54.79 54.11 1tuz n ASP 113 Cb 0.28 -1.60 0.16 0.00 -0.72 0.00 0.00 41.12 39.24 1tuz n ASP 113 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1tuz n LYS 114 N -3.89 -2.40 -2.64 -0.67 2.85 -1.26 -5.00 118.16 105.16 1tuz n LYS 114 Ca 0.10 -0.71 -0.23 0.00 -1.05 0.00 0.00 58.31 56.43 1tuz n LYS 114 Cb 0.46 -1.51 0.09 0.00 -0.65 0.00 0.00 35.03 33.42 1tuz n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1tuz s LEU 115 N -0.40 3.03 -0.06 -5.58 1.43 -1.26 -5.12 118.68 110.72 1tuz s LEU 115 Ca 0.39 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1tuz s LEU 115 Cb -0.07 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1tuz s LEU 115 CO 0.37 -1.72 0.13 -1.61 0.23 0.00 0.00 176.35 173.75 1tuz s GLU 116 N -5.04 0.05 0.00 1.70 8.01 -1.26 -5.12 118.70 117.04 1tuz s GLU 116 Ca 0.65 0.38 0.00 0.00 0.01 0.00 0.00 54.97 56.01 1tuz s GLU 116 Cb -0.06 -0.23 0.00 0.00 -4.31 0.00 0.00 34.13 29.54 1tuz s GLU 116 CO 0.43 -0.20 0.00 0.91 0.01 0.00 0.00 175.26 176.41 1tuz n TRP 117 N 4.48 0.00 -0.56 1.61 7.02 -1.26 -5.35 117.44 123.38 1tuz n TRP 117 Ca -0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1tuz n TRP 117 Cb 0.51 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1tuz n TRP 117 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12