#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzu s THR 3 N 0.00 3.25 0.44 -0.18 2.01 -1.26 -4.93 115.64 114.97 1tzu s THR 3 Ca 0.00 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 62.61 1tzu s THR 3 Cb 0.00 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 1tzu s THR 3 CO 0.00 0.05 1.22 -2.65 -0.69 0.00 0.00 174.62 172.55 1tzu n PRO 4 N 4.27 1.76 -0.10 4.92 -0.01 -1.26 -4.87 135.00 139.72 1tzu n PRO 4 Ca 0.12 0.63 -0.02 0.00 -0.01 0.00 0.00 63.50 64.22 1tzu n PRO 4 Cb 0.42 -2.33 0.21 0.00 -0.01 0.00 0.00 33.50 31.79 1tzu n PRO 4 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 175.50 175.40 1tzu h ARG 5 N 1.87 0.75 -0.80 -0.52 2.43 -1.99 -1.94 114.38 114.18 1tzu h ARG 5 Ca -0.48 -0.16 0.15 0.00 -0.81 0.00 0.00 59.98 58.69 1tzu h ARG 5 Cb 1.31 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.65 1tzu h ARG 5 CO 0.59 0.70 0.35 -0.09 -1.51 0.00 0.00 179.97 180.01 1tzu h ARG 6 N 0.72 0.47 -0.24 0.20 2.43 -1.99 -0.21 114.38 115.76 1tzu h ARG 6 Ca 0.16 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.12 1tzu h ARG 6 Cb 0.32 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1tzu h ARG 6 CO 0.00 0.31 -0.54 -0.09 -1.51 0.00 0.00 179.97 178.14 1tzu h ARG 7 N 0.49 0.79 -0.28 0.20 2.43 -1.77 -2.00 114.38 114.24 1tzu h ARG 7 Ca 0.45 -0.53 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1tzu h ARG 7 Cb 0.69 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 1tzu h ARG 7 CO -0.41 1.16 0.01 1.98 -1.51 0.00 0.00 179.97 181.19 1tzu h MET 8 N 0.54 0.09 -0.68 0.20 4.05 -1.13 -2.41 114.93 115.59 1tzu h MET 8 Ca -0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1tzu h MET 8 Cb 1.16 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.90 1tzu h MET 8 CO 0.12 0.06 0.35 -0.09 0.23 0.00 0.00 176.91 177.58 1tzu h ARG 9 N 0.09 0.95 -0.43 0.39 2.43 -0.98 -2.42 114.38 114.41 1tzu h ARG 9 Ca 0.13 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1tzu h ARG 9 Cb 0.17 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1tzu h ARG 9 CO -0.22 0.71 0.15 -0.07 -1.51 0.00 0.00 179.97 179.04 1tzu h LEU 10 N 0.95 0.56 -0.69 3.80 -0.00 -0.98 -1.93 115.31 117.02 1tzu h LEU 10 Ca 0.24 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 58.01 1tzu h LEU 10 Cb 0.05 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 1tzu h LEU 10 CO -0.04 0.52 0.27 0.00 -0.00 0.00 0.00 178.44 179.20 1tzu h ALA 11 N 1.56 0.89 -0.14 1.53 0.00 -0.96 -1.61 119.26 120.54 1tzu h ALA 11 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tzu h ALA 11 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1tzu h ALA 11 CO -0.01 0.52 0.07 0.28 0.00 0.00 0.00 179.25 180.11 1tzu h VAL 12 N 0.98 1.11 -0.74 0.00 2.07 -1.21 -2.49 116.25 115.98 1tzu h VAL 12 Ca 0.23 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1tzu h VAL 12 Cb 0.22 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1tzu h VAL 12 CO -0.02 0.10 0.45 0.15 0.02 0.00 0.00 177.57 178.28 1tzu h PHE 13 N 0.12 0.84 -0.84 1.57 3.57 -1.26 -2.19 116.94 118.74 1tzu h PHE 13 Ca 0.05 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1tzu h PHE 13 Cb 0.10 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1tzu h PHE 13 CO -0.03 0.45 0.43 0.87 -2.23 0.00 0.00 178.31 177.80 1tzu h LYS 14 N 0.86 1.20 -0.65 1.11 1.57 -1.17 -0.83 116.57 118.65 1tzu h LYS 14 Ca 0.31 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1tzu h LYS 14 Cb 0.09 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1tzu h LYS 14 CO -0.14 0.90 0.08 0.00 -0.57 0.00 0.00 179.45 179.73 1tzu h ALA 15 N 1.27 0.91 -0.23 3.86 0.00 -1.09 -0.64 119.26 123.34 1tzu h ALA 15 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1tzu h ALA 15 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1tzu h ALA 15 CO -0.04 0.67 0.05 -0.07 0.00 0.00 0.00 179.25 179.85 1tzu h LEU 16 N 1.02 0.35 0.17 0.00 3.38 -0.95 -2.47 115.31 116.80 1tzu h LEU 16 Ca 0.20 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1tzu h LEU 16 Cb 0.47 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1tzu h LEU 16 CO 0.02 0.51 -0.29 0.15 0.09 0.00 0.00 178.44 178.91 1tzu h PHE 17 N 0.18 -0.78 -0.49 1.13 3.04 -1.01 -2.97 116.94 116.04 1tzu h PHE 17 Ca 0.07 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.06 1tzu h PHE 17 Cb 0.30 0.32 -0.03 0.00 2.56 0.00 0.00 35.95 39.10 1tzu h PHE 17 CO 0.02 -0.40 0.33 1.96 -2.02 0.00 0.00 178.31 178.19 1tzu h GLN 18 N -0.54 0.57 0.00 1.11 1.08 -1.14 -2.93 115.11 113.27 1tzu h GLN 18 Ca 0.02 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 1tzu h GLN 18 Cb 0.54 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1tzu h GLN 18 CO -0.14 0.38 -0.36 1.25 -0.95 0.00 0.00 178.83 179.01 1tzu h HIS 19 N 0.59 0.00 0.00 2.96 2.76 -1.27 -2.50 115.15 117.68 1tzu h HIS 19 Ca 0.19 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1tzu h HIS 19 Cb 0.05 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 1tzu h HIS 19 CO -0.00 0.36 -0.08 0.93 -1.30 0.00 0.00 177.93 177.85 1tzu h GLU 20 N 0.00 0.00 -0.33 5.26 5.08 -1.50 -2.42 114.58 120.67 1tzu h GLU 20 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tzu h GLU 20 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1tzu h GLU 20 CO 0.05 0.08 0.00 1.19 -1.00 0.00 0.00 179.01 179.33 1tzu n PHE 21 N -4.04 0.44 -2.99 4.33 3.01 -0.97 -4.57 117.46 112.66 1tzu n PHE 21 Ca -0.03 -0.35 -0.15 0.00 1.01 0.00 0.00 57.45 57.94 1tzu n PHE 21 Cb 0.17 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.62 1tzu n PHE 21 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1tzu n ARG 22 N 0.87 1.05 0.00 -1.08 1.74 -0.93 -4.93 116.66 113.38 1tzu n ARG 22 Ca 0.14 -3.34 0.11 0.00 -0.77 0.00 0.00 57.85 53.99 1tzu n ARG 22 Cb 0.45 -1.53 0.60 0.00 -1.02 0.00 0.00 32.46 30.96 1tzu n ARG 22 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1tzu n ARG 23 N 0.15 0.53 -0.35 5.56 1.74 -1.11 -1.71 116.66 121.47 1tzu n ARG 23 Ca 0.19 0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.38 1tzu n ARG 23 Cb 0.72 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.90 1tzu n ARG 23 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1tzu n ASP 24 N -1.11 3.14 -4.27 0.55 3.85 -1.26 -4.93 116.55 112.52 1tzu n ASP 24 Ca 0.14 -2.16 -0.16 0.00 -0.71 0.00 0.00 54.79 51.89 1tzu n ASP 24 Cb 0.11 -0.42 -0.10 0.00 -1.35 0.00 0.00 41.12 39.36 1tzu n ASP 24 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1tzu s GLU 25 N -1.54 1.10 0.02 0.11 2.02 -0.69 -5.13 118.70 114.58 1tzu s GLU 25 Ca 0.35 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.63 1tzu s GLU 25 Cb 0.21 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 1tzu s GLU 25 CO 0.20 0.13 1.12 0.34 0.02 0.00 0.00 175.26 177.07 1tzu s ASP 26 N -2.96 7.18 0.23 -0.19 3.68 -1.26 -4.95 116.67 118.40 1tzu s ASP 26 Ca 0.15 1.84 -0.06 0.00 2.13 0.00 0.00 52.55 56.61 1tzu s ASP 26 Cb -0.01 -2.57 0.36 0.00 -1.45 0.00 0.00 42.92 39.25 1tzu s ASP 26 CO 0.03 -0.41 1.77 0.25 0.13 0.00 0.00 175.17 176.93 1tzu h LEU 27 N 7.05 0.43 -0.65 -1.34 5.85 -1.94 -1.86 115.31 122.85 1tzu h LEU 27 Ca -0.40 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1tzu h LEU 27 Cb 1.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1tzu h LEU 27 CO 0.80 0.23 0.40 -0.33 -0.34 0.00 0.00 178.44 179.20 1tzu h GLU 28 N 0.57 0.87 -0.50 1.25 5.08 -1.95 -2.24 114.58 117.66 1tzu h GLU 28 Ca 0.36 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1tzu h GLU 28 Cb 0.42 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1tzu h GLU 28 CO -0.30 0.62 0.21 0.37 -1.00 0.00 0.00 179.01 178.91 1tzu h GLN 29 N 0.88 0.72 -0.28 2.33 4.15 -1.79 -2.30 115.11 118.81 1tzu h GLN 29 Ca 0.23 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 1tzu h GLN 29 Cb -0.04 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1tzu h GLN 29 CO -0.05 0.58 -0.30 0.82 -1.93 0.00 0.00 178.83 177.95 1tzu h ILE 30 N 0.71 1.28 -0.38 2.39 5.03 -1.05 -2.58 117.51 122.91 1tzu h ILE 30 Ca 0.17 -1.40 0.05 0.00 -0.12 0.00 0.00 64.86 63.56 1tzu h ILE 30 Cb 0.13 1.40 -0.04 0.00 -3.03 0.00 0.00 36.82 35.27 1tzu h ILE 30 CO -0.02 0.45 0.11 0.25 -0.68 0.00 0.00 178.15 178.26 1tzu h LEU 31 N 0.50 0.09 -1.41 1.44 6.46 -0.88 -2.53 115.31 118.98 1tzu h LEU 31 Ca 0.06 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1tzu h LEU 31 Cb 0.77 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1tzu h LEU 31 CO 0.06 0.09 0.19 -0.33 -0.62 0.00 0.00 178.44 177.83 1tzu h GLU 32 N 0.25 0.59 -0.50 1.25 4.39 -1.07 -0.89 114.58 118.60 1tzu h GLU 32 Ca 0.17 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1tzu h GLU 32 Cb 0.17 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1tzu h GLU 32 CO -0.20 0.47 0.29 0.93 -1.16 0.00 0.00 179.01 179.34 1tzu h GLU 33 N 0.59 0.68 -0.07 2.33 5.08 -1.14 -3.07 114.58 118.97 1tzu h GLU 33 Ca 0.15 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 1tzu h GLU 33 Cb 0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1tzu h GLU 33 CO -0.02 0.51 -0.61 0.82 -1.00 0.00 0.00 179.01 178.71 1tzu h ILE 34 N 0.66 1.39 -3.30 3.13 5.03 -0.97 -3.43 117.51 120.01 1tzu h ILE 34 Ca 0.18 -1.99 -0.55 0.00 -0.12 0.00 0.00 64.86 62.38 1tzu h ILE 34 Cb 0.02 2.00 -0.02 0.00 -3.03 0.00 0.00 36.82 35.79 1tzu h ILE 34 CO -0.03 0.59 0.49 -0.76 -0.68 0.00 0.00 178.15 177.76 1tzu s LEU 35 N -7.94 4.32 0.00 1.44 1.43 -0.40 -5.03 118.68 112.50 1tzu s LEU 35 Ca -0.04 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 54.75 1tzu s LEU 35 Cb 0.12 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 1tzu s LEU 35 CO 0.80 -0.38 0.08 -0.90 0.23 0.00 0.00 176.35 176.18 1tzu n ASP 36 N 4.41 0.48 0.18 2.29 5.68 -1.26 -4.87 116.55 123.46 1tzu n ASP 36 Ca 0.08 -1.85 0.10 0.00 -0.50 0.00 0.00 54.79 52.62 1tzu n ASP 36 Cb 0.49 0.51 0.52 0.00 -1.14 0.00 0.00 41.12 41.51 1tzu n ASP 36 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1tzu h GLU 37 N 0.00 0.00 -0.68 0.11 4.11 -1.98 -2.61 114.58 113.53 1tzu h GLU 37 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1tzu h GLU 37 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1tzu h GLU 37 CO 0.17 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.50 1tzu n THR 38 N -2.23 1.49 -1.55 -1.06 -2.24 -1.26 -4.52 114.28 102.90 1tzu n THR 38 Ca -0.01 -0.82 0.01 0.00 -2.27 0.00 0.00 64.05 60.96 1tzu n THR 38 Cb 0.18 -0.22 0.20 0.00 -2.10 0.00 0.00 70.33 68.40 1tzu n THR 38 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1tzu n TYR 39 N 0.49 0.49 -1.06 4.78 4.02 -0.99 -4.89 117.16 120.02 1tzu n TYR 39 Ca 0.17 -1.56 0.11 0.00 -0.01 0.00 0.00 57.90 56.60 1tzu n TYR 39 Cb 0.75 -0.36 -0.04 0.00 -0.02 0.00 0.00 39.34 39.67 1tzu n TYR 39 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1tzu n ASP 40 N -1.12 -4.92 -0.03 7.72 -0.08 -1.26 -2.65 116.55 114.20 1tzu n ASP 40 Ca 0.25 0.67 -0.07 0.00 -1.51 0.00 0.00 54.79 54.14 1tzu n ASP 40 Cb 0.84 -3.42 -0.06 0.00 2.34 0.00 0.00 41.12 40.82 1tzu n ASP 40 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1tzu h LYS 41 N -1.25 -0.05 -0.99 -0.67 3.11 -1.99 -3.27 116.57 111.47 1tzu h LYS 41 Ca -0.07 0.00 0.15 0.00 -2.81 0.00 0.00 60.65 57.93 1tzu h LYS 41 Cb 1.11 0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 32.26 1tzu h LYS 41 CO 0.03 0.36 0.62 1.57 -2.81 0.00 0.00 179.45 179.22 1tzu h LYS 42 N -0.99 0.84 -0.37 1.90 2.10 -2.00 -1.87 116.57 116.18 1tzu h LYS 42 Ca -0.01 -0.05 -0.15 0.00 -2.00 0.00 0.00 60.65 58.45 1tzu h LYS 42 Cb 0.43 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 1tzu h LYS 42 CO 0.01 0.55 -0.36 0.00 -2.00 0.00 0.00 179.45 177.66 1tzu h ALA 43 N 1.59 0.68 -0.75 0.07 0.00 -1.73 0.18 119.26 119.30 1tzu h ALA 43 Ca 0.52 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1tzu h ALA 43 Cb 0.69 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1tzu h ALA 43 CO -0.30 0.67 0.49 0.87 0.00 0.00 0.00 179.25 180.98 1tzu h LYS 44 N 0.70 0.95 -0.48 0.00 1.57 -1.17 -1.39 116.57 116.76 1tzu h LYS 44 Ca 0.07 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1tzu h LYS 44 Cb 0.92 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1tzu h LYS 44 CO 0.08 0.63 -0.07 0.93 -0.57 0.00 0.00 179.45 180.46 1tzu h GLU 45 N 0.98 0.89 -0.33 3.15 5.08 -0.95 -1.87 114.58 121.53 1tzu h GLU 45 Ca 0.29 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1tzu h GLU 45 Cb -0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1tzu h GLU 45 CO -0.08 0.96 0.16 -0.44 -1.00 0.00 0.00 179.01 178.61 1tzu h ASP 46 N 0.74 0.44 -0.66 1.42 3.32 -0.84 -1.81 116.42 119.03 1tzu h ASP 46 Ca 0.13 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1tzu h ASP 46 Cb 0.61 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1tzu h ASP 46 CO 0.04 0.44 0.15 0.00 -1.72 0.00 0.00 179.24 178.14 1tzu h ALA 47 N 1.02 0.98 -0.80 3.45 0.00 -1.12 -0.43 119.26 122.37 1tzu h ALA 47 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1tzu h ALA 47 Cb 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1tzu h ALA 47 CO -0.01 0.65 0.34 0.00 0.00 0.00 0.00 179.25 180.23 1tzu h ARG 48 N 1.02 1.19 -0.25 0.00 3.08 -1.26 -1.84 114.38 116.32 1tzu h ARG 48 Ca 0.21 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1tzu h ARG 48 Cb 0.38 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1tzu h ARG 48 CO 0.00 0.94 0.07 -0.09 -1.07 0.00 0.00 179.97 179.83 1tzu h ARG 49 N 1.16 0.40 -0.14 0.04 2.43 -0.63 -1.07 114.38 116.57 1tzu h ARG 49 Ca 0.27 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1tzu h ARG 49 Cb 0.19 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1tzu h ARG 49 CO -0.03 0.49 -0.09 1.88 -1.51 0.00 0.00 179.97 180.72 1tzu h TYR 50 N 0.23 -0.21 -0.39 2.20 -1.99 -0.96 -0.49 116.97 115.37 1tzu h TYR 50 Ca 0.08 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 1tzu h TYR 50 Cb 0.27 0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1tzu h TYR 50 CO 0.01 -0.14 0.01 0.82 -0.00 0.00 0.00 178.16 178.86 1tzu h ILE 51 N -0.09 1.26 -0.55 -2.88 5.03 -1.27 0.18 117.51 119.19 1tzu h ILE 51 Ca 0.09 -0.99 0.02 0.00 -0.12 0.00 0.00 64.86 63.85 1tzu h ILE 51 Cb 0.21 1.13 -0.03 0.00 -3.03 0.00 0.00 36.82 35.11 1tzu h ILE 51 CO -0.20 0.33 0.35 -0.09 -0.68 0.00 0.00 178.15 177.86 1tzu h ARG 52 N 0.51 0.68 -0.05 2.37 2.43 -1.14 -1.07 114.38 118.11 1tzu h ARG 52 Ca 0.11 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 1tzu h ARG 52 Cb 0.46 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1tzu h ARG 52 CO 0.02 0.45 -0.52 0.78 -1.51 0.00 0.00 179.97 179.19 1tzu h GLY 53 N 0.70 0.15 0.46 2.80 0.00 -0.68 -2.02 103.07 104.48 1tzu h GLY 53 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1tzu h GLY 53 CO -0.07 0.15 -0.11 -2.22 0.00 0.00 0.00 176.54 174.28 1tzu h ILE 54 N 0.11 1.49 -0.30 2.60 5.03 -0.79 -2.74 117.51 122.91 1tzu h ILE 54 Ca 0.00 -1.61 0.07 0.00 -0.12 0.00 0.00 64.86 63.20 1tzu h ILE 54 Cb 0.95 2.49 -0.07 0.00 -3.03 0.00 0.00 36.82 37.17 1tzu h ILE 54 CO 0.07 0.43 -0.15 0.50 -0.68 0.00 0.00 178.15 178.33 1tzu h LYS 55 N -0.48 -0.10 0.00 2.37 3.64 -1.17 0.24 116.57 121.07 1tzu h LYS 55 Ca -0.01 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1tzu h LYS 55 Cb 0.77 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1tzu h LYS 55 CO 0.02 -0.07 -0.20 0.93 -2.27 0.00 0.00 179.45 177.87 1tzu h GLU 56 N -0.11 0.00 -0.22 1.90 5.08 -1.46 -3.01 114.58 116.76 1tzu h GLU 56 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1tzu h GLU 56 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1tzu h GLU 56 CO -0.37 0.20 0.00 0.09 -1.00 0.00 0.00 179.01 177.93 1tzu n ASN 57 N -3.48 3.12 -0.20 1.42 3.02 -0.92 -4.80 115.26 113.41 1tzu n ASN 57 Ca -0.01 -2.57 -0.06 0.00 -0.03 0.00 0.00 54.58 51.91 1tzu n ASN 57 Cb 0.36 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1tzu n ASN 57 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1tzu h LEU 58 N 1.39 0.68 -0.18 3.41 5.85 -0.39 -0.51 115.31 125.55 1tzu h LEU 58 Ca 0.00 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1tzu h LEU 58 Cb 1.03 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 1tzu h LEU 58 CO 0.09 0.50 -0.23 0.28 -0.34 0.00 0.00 178.44 178.74 1tzu h SER 59 N 0.79 -0.73 -0.74 1.25 0.02 -1.85 -1.17 113.55 111.12 1tzu h SER 59 Ca 0.21 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1tzu h SER 59 Cb -0.08 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1tzu h SER 59 CO -0.04 -0.28 0.38 -0.03 -1.14 0.00 0.00 176.83 175.72 1tzu h MET 60 N -0.27 1.04 0.18 3.45 1.85 -1.71 -1.97 114.93 117.50 1tzu h MET 60 Ca 0.12 -0.14 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1tzu h MET 60 Cb 0.45 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.28 1tzu h MET 60 CO -0.34 0.80 -0.09 0.82 -0.40 0.00 0.00 176.91 177.70 1tzu h ILE 61 N 1.02 0.93 -0.73 1.77 2.04 -0.81 -1.79 117.51 119.95 1tzu h ILE 61 Ca 0.26 -0.72 0.14 0.00 1.00 0.00 0.00 64.86 65.54 1tzu h ILE 61 Cb 0.08 1.35 -0.10 0.00 -0.74 0.00 0.00 36.82 37.41 1tzu h ILE 61 CO -0.04 0.16 0.24 0.44 0.00 0.00 0.00 178.15 178.95 1tzu h ASP 62 N -0.60 0.16 -0.73 1.72 5.19 -1.24 -0.49 116.42 120.43 1tzu h ASP 62 Ca -0.02 0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1tzu h ASP 62 Cb 0.45 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.05 1tzu h ASP 62 CO 0.04 0.05 0.31 0.44 -3.12 0.00 0.00 179.24 176.96 1tzu h ASP 63 N 0.36 1.00 0.11 6.45 3.45 -1.24 -1.27 116.42 125.27 1tzu h ASP 63 Ca 0.40 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.72 1tzu h ASP 63 Cb 0.64 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1tzu h ASP 63 CO -0.44 0.87 -0.05 0.25 -1.57 0.00 0.00 179.24 178.31 1tzu h LEU 64 N 1.07 -0.12 -1.00 1.55 6.46 -0.41 -3.05 115.31 119.81 1tzu h LEU 64 Ca 0.25 -0.19 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1tzu h LEU 64 Cb 0.18 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.08 1tzu h LEU 64 CO -0.02 0.12 0.65 0.40 -0.62 0.00 0.00 178.44 178.97 1tzu h ILE 65 N -0.36 1.14 -0.93 4.05 5.03 -1.01 -2.85 117.51 122.58 1tzu h ILE 65 Ca -0.01 -0.42 0.11 0.00 -0.12 0.00 0.00 64.86 64.42 1tzu h ILE 65 Cb 0.30 -0.20 -0.07 0.00 -3.03 0.00 0.00 36.82 33.82 1tzu h ILE 65 CO 0.02 0.22 0.59 0.28 -0.68 0.00 0.00 178.15 178.59 1tzu h SER 66 N 1.23 0.81 0.26 1.72 0.02 -1.13 -1.95 113.55 114.51 1tzu h SER 66 Ca 0.41 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.37 1tzu h SER 66 Cb 0.07 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1tzu h SER 66 CO -0.15 0.45 -0.11 0.03 -1.14 0.00 0.00 176.83 175.91 1tzu h ARG 67 N 0.88 0.00 -0.01 3.45 3.08 -1.46 -2.95 114.38 117.36 1tzu h ARG 67 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1tzu h ARG 67 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1tzu h ARG 67 CO -0.21 0.11 -0.69 0.66 -1.07 0.00 0.00 179.97 178.78 1tzu n TYR 68 N -3.84 0.00 -2.66 3.04 4.02 -0.75 -4.88 117.16 112.09 1tzu n TYR 68 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.44 1tzu n TYR 68 Cb 0.21 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 1tzu n TYR 68 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1tzu s LEU 69 N -2.66 3.96 -0.09 7.72 1.43 -1.12 -4.89 118.68 123.02 1tzu s LEU 69 Ca 0.13 1.05 0.19 0.00 -1.03 0.00 0.00 54.13 54.47 1tzu s LEU 69 Cb 0.16 -3.51 -0.26 0.00 0.03 0.00 0.00 46.19 42.61 1tzu s LEU 69 CO 0.68 -0.85 0.35 1.21 0.23 0.00 0.00 176.35 177.97 1tzu n GLU 70 N 6.78 0.67 0.00 1.70 2.13 -1.26 -4.88 120.64 125.78 1tzu n GLU 70 Ca 0.11 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1tzu n GLU 70 Cb 0.47 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1tzu n GLU 70 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1tzu n LYS 71 N -2.62 0.00 -2.39 5.31 4.81 -1.26 -4.97 118.16 117.05 1tzu n LYS 71 Ca -0.19 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.83 1tzu n LYS 71 Cb 0.90 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.93 1tzu n LYS 71 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1tzu s TRP 72 N 1.64 3.09 1.03 5.64 0.52 -1.26 -5.01 118.94 124.59 1tzu s TRP 72 Ca 0.00 1.09 -0.14 0.00 0.02 0.00 0.00 56.10 57.07 1tzu s TRP 72 Cb 0.00 -3.50 0.10 0.00 -1.15 0.00 0.00 33.47 28.92 1tzu s TRP 72 CO 0.00 -1.66 0.42 -1.13 0.02 0.00 0.00 176.95 174.60 1tzu n SER 73 N 5.22 -1.87 -0.27 2.95 3.41 -1.26 -4.71 113.62 117.09 1tzu n SER 73 Ca 0.12 0.14 0.01 0.00 -0.26 0.00 0.00 58.87 58.88 1tzu n SER 73 Cb 0.45 -1.16 0.14 0.00 -0.26 0.00 0.00 64.21 63.38 1tzu n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1tzu h LEU 74 N -1.88 0.63 -2.05 1.04 5.85 -1.94 -1.21 115.31 115.74 1tzu h LEU 74 Ca -0.49 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1tzu h LEU 74 Cb 1.31 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1tzu h LEU 74 CO 0.38 0.38 -0.06 -0.55 -0.34 0.00 0.00 178.44 178.25 1tzu h ASN 75 N 0.75 0.00 0.40 1.25 -0.00 -2.01 -2.90 115.58 113.08 1tzu h ASN 75 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 1tzu h ASN 75 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 1tzu h ASN 75 CO -0.22 0.06 -0.52 0.54 -0.00 0.00 0.00 177.43 177.29 1tzu n ARG 76 N -3.33 0.15 -1.54 4.14 5.12 -0.47 -4.93 116.66 115.80 1tzu n ARG 76 Ca -0.01 -0.09 -0.32 0.00 -1.93 0.00 0.00 57.85 55.49 1tzu n ARG 76 Cb 0.22 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.09 1tzu n ARG 76 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1tzu s LEU 77 N -2.92 3.25 0.80 0.55 1.43 -1.10 -4.96 118.68 115.74 1tzu s LEU 77 Ca 0.13 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 1tzu s LEU 77 Cb 0.18 -4.55 0.08 0.00 0.03 0.00 0.00 46.19 41.93 1tzu s LEU 77 CO 0.69 -1.86 1.13 -0.94 0.23 0.00 0.00 176.35 175.60 1tzu s SER 78 N -2.80 3.96 0.23 2.29 1.04 -1.26 -4.80 113.70 112.37 1tzu s SER 78 Ca 0.66 2.05 -0.08 0.00 0.48 0.00 0.00 55.95 59.06 1tzu s SER 78 Cb -0.20 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 63.59 1tzu s SER 78 CO 0.47 -2.40 1.91 0.58 0.98 0.00 0.00 173.24 174.77 1tzu h VAL 79 N -1.15 1.23 0.37 5.02 2.07 -1.98 -1.62 116.25 120.19 1tzu h VAL 79 Ca -0.44 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1tzu h VAL 79 Cb 1.25 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1tzu h VAL 79 CO 0.48 0.22 -0.29 0.58 0.02 0.00 0.00 177.57 178.58 1tzu h VAL 80 N 1.23 0.40 -0.45 2.57 2.07 -1.92 -2.27 116.25 117.88 1tzu h VAL 80 Ca 0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 1tzu h VAL 80 Cb -0.14 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1tzu h VAL 80 CO -0.07 0.00 0.29 0.44 0.02 0.00 0.00 177.57 178.24 1tzu h ASP 81 N -0.66 0.52 -0.48 0.57 3.32 -1.86 0.06 116.42 117.89 1tzu h ASP 81 Ca -0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1tzu h ASP 81 Cb 0.57 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1tzu h ASP 81 CO -0.01 0.40 0.31 -0.09 -1.72 0.00 0.00 179.24 178.13 1tzu h ARG 82 N 0.60 0.64 0.00 3.56 2.43 -1.32 -2.09 114.38 118.20 1tzu h ARG 82 Ca 0.16 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 1tzu h ARG 82 Cb -0.04 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1tzu h ARG 82 CO -0.03 0.44 -0.74 -0.91 -1.51 0.00 0.00 179.97 177.22 1tzu h ASN 83 N 0.65 0.00 -0.55 -3.80 4.21 -1.19 -1.78 115.58 113.12 1tzu h ASN 83 Ca 0.18 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 1tzu h ASN 83 Cb -0.05 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 1tzu h ASN 83 CO -0.04 0.74 0.30 0.58 -1.29 0.00 0.00 177.43 177.72 1tzu h VAL 84 N 0.00 1.18 -0.71 2.81 2.07 -0.90 -1.37 116.25 119.33 1tzu h VAL 84 Ca -0.01 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1tzu h VAL 84 Cb 1.54 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1tzu h VAL 84 CO 0.10 0.20 0.18 -0.07 0.02 0.00 0.00 177.57 177.99 1tzu h LEU 85 N 0.74 1.08 -0.25 2.57 3.38 -1.24 -1.02 115.31 120.56 1tzu h LEU 85 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1tzu h LEU 85 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1tzu h LEU 85 CO -0.03 1.03 0.10 0.03 0.09 0.00 0.00 178.44 179.66 1tzu h ARG 86 N 1.08 0.37 -0.08 1.13 3.08 -1.12 -0.88 114.38 117.97 1tzu h ARG 86 Ca 0.22 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1tzu h ARG 86 Cb 0.37 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1tzu h ARG 86 CO 0.00 0.41 0.02 1.25 -1.07 0.00 0.00 179.97 180.58 1tzu h LEU 87 N 0.26 0.12 -0.75 3.04 6.46 -1.07 -1.78 115.31 121.59 1tzu h LEU 87 Ca 0.08 -0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.53 1tzu h LEU 87 Cb 0.17 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1tzu h LEU 87 CO -0.01 0.30 -0.11 0.00 -0.62 0.00 0.00 178.44 178.00 1tzu h ALA 88 N 0.82 0.94 -0.35 1.25 0.00 -1.18 -2.15 119.26 118.59 1tzu h ALA 88 Ca 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1tzu h ALA 88 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1tzu h ALA 88 CO -0.00 0.62 0.11 1.15 0.00 0.00 0.00 179.25 181.13 1tzu h THR 89 N 0.75 1.21 -0.48 0.00 2.02 -1.07 -0.67 112.91 114.67 1tzu h THR 89 Ca 0.12 -0.70 0.07 0.00 0.77 0.00 0.00 66.41 66.67 1tzu h THR 89 Cb 0.62 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 1tzu h THR 89 CO 0.04 0.24 0.15 0.22 0.37 0.00 0.00 175.52 176.54 1tzu h TYR 90 N 0.42 0.26 -0.27 3.16 3.20 -1.18 -2.09 116.97 120.48 1tzu h TYR 90 Ca 0.11 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1tzu h TYR 90 Cb 0.26 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1tzu h TYR 90 CO 0.01 0.08 0.04 1.49 -1.64 0.00 0.00 178.16 178.13 1tzu h GLU 91 N 0.32 0.45 -0.69 1.82 4.81 -1.14 -0.08 114.58 120.07 1tzu h GLU 91 Ca 0.23 -0.13 0.12 0.00 -0.13 0.00 0.00 59.36 59.46 1tzu h GLU 91 Cb 0.25 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.50 1tzu h GLU 91 CO -0.25 0.58 0.25 -0.07 -0.73 0.00 0.00 179.01 178.79 1tzu h LEU 92 N 0.26 0.23 0.13 1.64 4.07 -1.01 -1.62 115.31 119.00 1tzu h LEU 92 Ca 0.08 0.10 -0.29 0.00 0.08 0.00 0.00 57.88 57.85 1tzu h LEU 92 Cb 0.35 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.17 1tzu h LEU 92 CO 0.01 0.11 -1.40 -0.07 -1.08 0.00 0.00 178.44 176.00 1tzu h LEU 93 N 0.41 0.41 0.00 1.67 3.38 -1.15 -3.39 115.31 116.65 1tzu h LEU 93 Ca 0.36 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1tzu h LEU 93 Cb 0.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1tzu h LEU 93 CO -0.37 1.41 -0.65 0.49 0.09 0.00 0.00 178.44 179.41 1tzu n PHE 94 N -3.49 0.00 -3.47 1.13 3.72 -0.06 -4.72 117.46 110.57 1tzu n PHE 94 Ca -0.13 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.84 1tzu n PHE 94 Cb 1.04 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.49 1tzu n PHE 94 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1tzu s GLU 95 N -1.65 2.80 0.40 -1.08 0.41 -0.62 -4.97 118.70 114.00 1tzu s GLU 95 Ca 0.00 -1.46 0.21 0.00 -0.41 0.00 0.00 54.97 53.31 1tzu s GLU 95 Cb 0.00 -4.00 0.71 0.00 -1.78 0.00 0.00 34.13 29.06 1tzu s GLU 95 CO 0.00 -1.05 1.74 0.87 -0.49 0.00 0.00 175.26 176.33 1tzu h LYS 96 N 8.62 0.00 -0.23 1.61 1.57 -1.91 -3.22 116.57 123.01 1tzu h LYS 96 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1tzu h LYS 96 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1tzu h LYS 96 CO 0.85 0.30 0.00 -0.40 -0.57 0.00 0.00 179.45 179.63 1tzu n ASP 97 N -3.39 1.97 -4.34 0.86 3.85 -1.26 -4.85 116.55 109.40 1tzu n ASP 97 Ca 0.00 -1.80 -0.36 0.00 -0.71 0.00 0.00 54.79 51.93 1tzu n ASP 97 Cb 0.50 -0.15 -0.13 0.00 -1.35 0.00 0.00 41.12 39.98 1tzu n ASP 97 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1tzu s ILE 98 N -1.70 3.64 0.60 2.12 1.09 -1.22 -5.09 121.20 120.65 1tzu s ILE 98 Ca 0.32 -0.46 -0.19 0.00 -1.10 0.00 0.00 60.65 59.21 1tzu s ILE 98 Cb 0.17 -2.71 -0.04 0.00 -1.06 0.00 0.00 42.46 38.83 1tzu s ILE 98 CO 0.25 0.35 1.21 -2.65 -0.10 0.00 0.00 174.94 174.01 1tzu n PRO 99 N 4.83 1.23 -0.13 2.79 -0.02 -1.26 -4.84 135.00 137.60 1tzu n PRO 99 Ca -0.17 0.47 -0.05 0.00 -2.02 0.00 0.00 63.50 61.73 1tzu n PRO 99 Cb 0.50 -2.43 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1tzu n PRO 99 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1tzu h ILE 100 N 0.82 0.88 0.00 4.25 5.03 -1.87 -2.14 117.51 124.49 1tzu h ILE 100 Ca -0.50 -0.11 -0.05 0.00 -0.12 0.00 0.00 64.86 64.07 1tzu h ILE 100 Cb 1.34 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 35.64 1tzu h ILE 100 CO 0.54 0.06 -0.25 -0.33 -0.68 0.00 0.00 178.15 177.48 1tzu h GLU 101 N 0.33 0.00 -0.22 2.37 5.08 -1.94 -1.76 114.58 118.45 1tzu h GLU 101 Ca 0.20 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1tzu h GLU 101 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1tzu h GLU 101 CO -0.19 0.25 -0.11 0.28 -1.00 0.00 0.00 179.01 178.24 1tzu h VAL 102 N 0.00 1.31 -0.41 3.13 2.07 -1.77 -1.09 116.25 119.49 1tzu h VAL 102 Ca -0.00 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.38 1tzu h VAL 102 Cb 0.48 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1tzu h VAL 102 CO 0.03 0.36 0.17 0.74 0.02 0.00 0.00 177.57 178.89 1tzu h THR 103 N 0.17 0.91 -0.07 2.57 2.02 -0.86 -1.56 112.91 116.09 1tzu h THR 103 Ca 0.05 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1tzu h THR 103 Cb 0.61 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1tzu h THR 103 CO 0.03 0.06 -0.11 0.40 0.37 0.00 0.00 175.52 176.28 1tzu h ILE 104 N 0.35 1.39 -0.74 3.11 2.04 -1.31 -0.84 117.51 121.51 1tzu h ILE 104 Ca 0.19 -1.34 0.08 0.00 1.00 0.00 0.00 64.86 64.78 1tzu h ILE 104 Cb 0.14 2.11 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 1tzu h ILE 104 CO -0.17 0.37 0.41 0.44 0.00 0.00 0.00 178.15 179.20 1tzu h ASP 105 N -0.26 0.59 0.04 1.72 3.45 -1.16 0.12 116.42 120.92 1tzu h ASP 105 Ca 0.01 0.04 -0.16 0.00 0.43 0.00 0.00 57.03 57.35 1tzu h ASP 105 Cb 0.65 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 1tzu h ASP 105 CO 0.02 0.36 -0.54 -0.33 -1.57 0.00 0.00 179.24 177.18 1tzu h GLU 106 N 0.72 0.54 -0.60 3.56 4.39 -1.24 -2.07 114.58 119.88 1tzu h GLU 106 Ca 0.34 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1tzu h GLU 106 Cb 0.28 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1tzu h GLU 106 CO -0.22 0.94 0.38 0.00 -1.16 0.00 0.00 179.01 178.96 1tzu h ALA 107 N 0.99 0.77 -0.49 3.43 0.00 -0.57 -2.47 119.26 120.91 1tzu h ALA 107 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1tzu h ALA 107 Cb 1.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1tzu h ALA 107 CO 0.10 0.22 0.29 0.82 0.00 0.00 0.00 179.25 180.68 1tzu h ILE 108 N 0.82 1.05 -0.64 0.00 5.03 -0.54 -1.15 117.51 122.07 1tzu h ILE 108 Ca 0.22 -0.20 -0.04 0.00 -0.12 0.00 0.00 64.86 64.72 1tzu h ILE 108 Cb -0.06 0.41 -0.03 0.00 -3.03 0.00 0.00 36.82 34.11 1tzu h ILE 108 CO -0.04 0.11 0.22 -0.08 -0.68 0.00 0.00 178.15 177.67 1tzu h GLU 109 N 0.58 0.95 -0.43 2.37 4.57 -1.19 0.16 114.58 121.59 1tzu h GLU 109 Ca 0.20 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1tzu h GLU 109 Cb 0.02 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1tzu h GLU 109 CO -0.09 0.80 0.01 0.82 -1.18 0.00 0.00 179.01 179.37 1tzu h ILE 110 N 0.93 1.26 -0.88 2.32 5.03 -1.15 -1.66 117.51 123.35 1tzu h ILE 110 Ca 0.21 -1.02 -0.02 0.00 -0.12 0.00 0.00 64.86 63.91 1tzu h ILE 110 Cb 0.23 1.07 -0.04 0.00 -3.03 0.00 0.00 36.82 35.05 1tzu h ILE 110 CO -0.01 0.35 0.47 0.00 -0.68 0.00 0.00 178.15 178.27 1tzu h ALA 111 N 0.90 1.13 -0.14 1.87 0.00 -0.46 -1.99 119.26 120.58 1tzu h ALA 111 Ca 0.12 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1tzu h ALA 111 Cb 0.48 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1tzu h ALA 111 CO 0.02 0.66 -0.38 0.87 0.00 0.00 0.00 179.25 180.42 1tzu h LYS 112 N 1.24 0.30 0.15 0.00 1.57 -0.61 -0.49 116.57 118.73 1tzu h LYS 112 Ca 0.31 -0.14 -0.29 0.00 -1.87 0.00 0.00 60.65 58.66 1tzu h LYS 112 Cb 0.05 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.38 1tzu h LYS 112 CO -0.05 0.64 -1.28 0.00 -0.57 0.00 0.00 179.45 178.20 1tzu h ARG 113 N 0.25 0.38 0.00 3.15 3.08 -0.87 -3.39 114.38 116.99 1tzu h ARG 113 Ca 0.03 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1tzu h ARG 113 Cb 0.79 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1tzu h ARG 113 CO 0.06 1.28 -0.43 0.66 -1.07 0.00 0.00 179.97 180.47 1tzu n TYR 114 N -3.62 0.00 -1.14 3.04 4.02 -0.79 -5.06 117.16 113.61 1tzu n TYR 114 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1tzu n TYR 114 Cb 1.03 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.32 1tzu n TYR 114 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1tzu n GLY 115 N 1.33 1.78 3.02 2.72 0.00 -0.19 -4.94 105.19 108.91 1tzu n GLY 115 Ca 0.01 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 43.94 1tzu n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tzu n THR 116 N 0.00 0.00 -0.02 2.61 -2.24 -1.26 -4.97 114.28 108.40 1tzu n THR 116 Ca 0.00 -1.15 -0.04 0.00 -2.27 0.00 0.00 64.05 60.59 1tzu n THR 116 Cb 0.00 -1.10 0.18 0.00 -2.10 0.00 0.00 70.33 67.31 1tzu n THR 116 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1tzu h GLU 117 N 0.00 0.57 -0.17 -0.78 4.57 -1.93 -3.00 114.58 113.83 1tzu h GLU 117 Ca -0.27 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1tzu h GLU 117 Cb 0.95 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1tzu h GLU 117 CO 0.27 0.74 0.00 0.09 -1.18 0.00 0.00 179.01 178.93 1tzu n ASN 118 N -4.14 2.42 -0.27 1.04 5.03 -1.26 -4.40 115.26 113.69 1tzu n ASN 118 Ca 0.00 -1.81 -0.05 0.00 0.87 0.00 0.00 54.58 53.59 1tzu n ASN 118 Cb 0.39 -0.10 0.06 0.00 -1.02 0.00 0.00 39.78 39.10 1tzu n ASN 118 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1tzu h SER 119 N 3.40 0.85 0.22 6.41 0.02 -1.82 -1.78 113.55 120.84 1tzu h SER 119 Ca 0.00 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1tzu h SER 119 Cb 0.74 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1tzu h SER 119 CO 0.00 0.63 -0.27 1.23 -1.14 0.00 0.00 176.83 177.28 1tzu h GLY 120 N 1.00 -0.57 1.69 -3.77 0.00 -1.79 -1.76 103.07 97.87 1tzu h GLY 120 Ca 0.27 0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.88 1tzu h GLY 120 CO -0.06 -0.24 0.05 1.70 0.00 0.00 0.00 176.54 177.99 1tzu h LYS 121 N -0.54 0.40 0.62 4.80 1.63 -1.84 -2.41 116.57 119.23 1tzu h LYS 121 Ca 0.01 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1tzu h LYS 121 Cb 0.52 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1tzu h LYS 121 CO -0.09 0.39 -0.30 0.35 -3.45 0.00 0.00 179.45 176.35 1tzu h PHE 122 N 0.39 -0.77 -0.42 1.91 3.57 -0.86 -2.42 116.94 118.33 1tzu h PHE 122 Ca 0.09 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1tzu h PHE 122 Cb 0.19 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1tzu h PHE 122 CO 0.01 -0.44 -0.02 -0.39 -2.23 0.00 0.00 178.31 175.24 1tzu h VAL 123 N -1.02 1.23 -0.06 1.41 -1.51 -1.33 -2.69 116.25 112.29 1tzu h VAL 123 Ca -0.09 -0.97 0.04 0.00 -1.23 0.00 0.00 66.70 64.46 1tzu h VAL 123 Cb 0.69 0.93 -0.05 0.00 -2.13 0.00 0.00 31.29 30.73 1tzu h VAL 123 CO 0.14 0.34 -0.27 -1.13 -1.23 0.00 0.00 177.57 175.42 1tzu h ASN 124 N 0.65 -0.82 -0.70 4.19 -0.73 -1.43 -0.28 115.58 116.47 1tzu h ASN 124 Ca 0.13 0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.47 1tzu h ASN 124 Cb 0.44 0.34 -0.05 0.00 0.27 0.00 0.00 38.32 39.32 1tzu h ASN 124 CO 0.02 -0.33 0.41 1.23 -0.37 0.00 0.00 177.43 178.39 1tzu h GLY 125 N -0.38 1.03 1.28 1.57 0.00 -1.15 -1.85 103.07 103.58 1tzu h GLY 125 Ca 0.08 -0.29 -0.31 0.00 0.00 0.00 0.00 47.33 46.81 1tzu h GLY 125 CO -0.28 0.19 -1.35 -2.22 0.00 0.00 0.00 176.54 172.89 1tzu h ILE 126 N 0.76 1.30 -0.24 2.60 5.03 -1.23 -3.19 117.51 122.53 1tzu h ILE 126 Ca 0.31 -2.61 -0.12 0.00 -0.12 0.00 0.00 64.86 62.32 1tzu h ILE 126 Cb 0.16 2.86 -0.01 0.00 -3.03 0.00 0.00 36.82 36.79 1tzu h ILE 126 CO -0.17 0.79 -0.35 -0.07 -0.68 0.00 0.00 178.15 177.67 1tzu h LEU 127 N 0.21 0.53 -0.69 1.44 3.38 -1.01 -1.84 115.31 117.33 1tzu h LEU 127 Ca -0.21 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.63 1tzu h LEU 127 Cb 2.03 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 42.56 1tzu h LEU 127 CO 0.25 0.84 0.33 0.44 0.09 0.00 0.00 178.44 180.40 1tzu h ASP 128 N 0.43 0.42 -0.15 -0.43 3.45 -1.41 0.06 116.42 118.80 1tzu h ASP 128 Ca 0.05 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 1tzu h ASP 128 Cb 0.82 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.58 1tzu h ASP 128 CO 0.07 0.24 -0.02 0.03 -1.57 0.00 0.00 179.24 177.99 1tzu h ARG 129 N 0.56 0.28 -0.60 3.56 3.08 -1.47 -2.84 114.38 116.95 1tzu h ARG 129 Ca 0.34 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1tzu h ARG 129 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1tzu h ARG 129 CO -0.28 0.53 0.12 0.82 -1.07 0.00 0.00 179.97 180.10 1tzu h ILE 130 N -0.01 1.25 -0.02 2.04 5.03 -1.04 -2.98 117.51 121.78 1tzu h ILE 130 Ca 0.04 -0.93 -0.00 0.00 -0.12 0.00 0.00 64.86 63.85 1tzu h ILE 130 Cb 0.42 0.65 -0.00 0.00 -3.03 0.00 0.00 36.82 34.87 1tzu h ILE 130 CO 0.01 0.35 0.01 0.00 -0.68 0.00 0.00 178.15 177.83 1tzu h ALA 131 N 1.22 0.02 -1.00 1.87 0.00 -1.02 -1.22 119.26 119.14 1tzu h ALA 131 Ca 0.19 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.20 1tzu h ALA 131 Cb 0.36 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 1tzu h ALA 131 CO 0.00 -0.38 0.61 -0.22 0.00 0.00 0.00 179.25 179.27 1tzu h LYS 132 N -0.15 0.69 0.00 0.00 3.64 -1.36 -1.87 116.57 117.52 1tzu h LYS 132 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1tzu h LYS 132 Cb 0.19 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1tzu h LYS 132 CO -0.00 0.46 -1.01 0.39 -2.27 0.00 0.00 179.45 177.02 1tzu n GLU 133 N -4.73 1.47 0.00 1.90 1.02 -1.15 -4.76 120.64 114.39 1tzu n GLU 133 Ca 0.23 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1tzu n GLU 133 Cb 0.60 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1tzu n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1tzu n HIS 134 N -1.56 0.00 -1.85 -0.32 8.25 -0.47 -5.05 115.22 114.23 1tzu n HIS 134 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1tzu n HIS 134 Cb 0.29 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 1tzu n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tzu s ALA 135 N -0.49 3.68 0.22 -1.41 0.00 -0.71 -4.84 121.76 118.22 1tzu s ALA 135 Ca 0.00 1.50 -0.32 0.00 0.00 0.00 0.00 51.96 53.15 1tzu s ALA 135 Cb 0.00 -3.61 -0.14 0.00 0.00 0.00 0.00 23.12 19.36 1tzu s ALA 135 CO 0.00 -0.93 1.29 -2.30 0.00 0.00 0.00 175.76 173.83 1tzu n PRO 136 N 1.88 1.68 0.26 0.00 -0.02 -1.26 -4.85 135.00 132.69 1tzu n PRO 136 Ca 0.06 0.60 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1tzu n PRO 136 Cb 0.38 -2.18 0.69 0.00 -0.02 0.00 0.00 33.50 32.37 1tzu n PRO 136 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1tzu h LYS 137 N 3.75 0.00 0.00 -0.52 1.79 -1.97 -1.10 116.57 118.51 1tzu h LYS 137 Ca -0.44 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 57.98 1tzu h LYS 137 Cb 1.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 1tzu h LYS 137 CO 0.72 0.04 -0.25 0.93 -1.08 0.00 0.00 179.45 179.81 1tzu h GLU 138 N 0.00 0.00 0.00 3.15 3.07 -2.01 -2.33 114.58 116.46 1tzu h GLU 138 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1tzu h GLU 138 Cb 0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1tzu h GLU 138 CO 0.00 0.25 -0.02 -0.22 -1.40 0.00 0.00 179.01 177.62 1tzu h LYS 139 N 0.00 0.00 0.00 2.33 3.64 -1.53 -2.21 116.57 118.81 1tzu h LYS 139 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1tzu h LYS 139 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1tzu h LYS 139 CO 0.03 0.02 0.00 1.19 -2.27 0.00 0.00 179.45 178.43 1tzu n PHE 140 N -3.28 0.00 0.18 1.91 3.01 -0.88 -2.00 117.46 116.40 1tzu n PHE 140 Ca -0.02 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.51 1tzu n PHE 140 Cb 0.15 -0.35 0.12 0.00 -0.01 0.00 0.00 39.48 39.39 1tzu n PHE 140 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1tzu h GLU 141 N 0.00 0.00 -0.00 -1.08 4.39 -1.59 -3.52 114.58 112.78 1tzu h GLU 141 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tzu h GLU 141 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1tzu h GLU 141 CO 0.00 0.30 0.00 1.28 -1.16 0.00 0.00 179.01 179.43