#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tug n THR 2 N 0.00 3.30 -4.24 1.12 -1.04 -1.26 -4.39 114.28 107.76 1tug n THR 2 Ca 0.00 -1.75 -0.33 0.00 -2.04 0.00 0.00 64.05 59.93 1tug n THR 2 Cb 0.00 -2.15 -0.16 0.00 -1.82 0.00 0.00 70.33 66.20 1tug n THR 2 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1tug s HIS 3 N 1.33 2.68 -0.30 -1.42 0.09 -1.26 -5.09 115.29 111.32 1tug s HIS 3 Ca 0.67 -1.53 -0.15 0.00 -0.00 0.00 0.00 55.06 54.05 1tug s HIS 3 Cb 0.28 -1.86 0.18 0.00 -0.00 0.00 0.00 32.58 31.18 1tug s HIS 3 CO -0.02 -0.75 1.15 0.34 -0.00 0.00 0.00 174.74 175.47 1tug s ASP 4 N 1.20 -0.20 0.00 1.40 -1.08 -1.26 -4.99 116.67 111.73 1tug s ASP 4 Ca 0.02 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 1tug s ASP 4 Cb -0.14 1.14 0.00 0.00 -1.46 0.00 0.00 42.92 42.47 1tug s ASP 4 CO -0.10 -0.04 0.00 -0.46 0.52 0.00 0.00 175.17 175.09 1tug n ASN 5 N 5.26 0.00 -1.53 -0.34 6.94 -1.26 -4.53 115.26 119.79 1tug n ASN 5 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1tug n ASN 5 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1tug n ASN 5 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1tug n LYS 6 N -0.26 -2.02 -1.08 -3.83 4.76 -1.26 -3.72 118.16 110.75 1tug n LYS 6 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1tug n LYS 6 Cb 0.00 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 30.80 1tug n LYS 6 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1tug n LEU 7 N -1.31 -0.44 -3.89 -0.35 4.32 -1.26 -5.06 117.00 109.02 1tug n LEU 7 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1tug n LEU 7 Cb 0.26 -0.32 -0.06 0.00 -1.62 0.00 0.00 43.42 41.67 1tug n LEU 7 CO 0.00 0.00 0.06 -1.58 -1.22 0.00 0.00 177.39 174.65 1tug s GLN 8 N -2.40 1.19 -0.00 3.23 -0.44 -1.24 -5.06 119.66 114.94 1tug s GLN 8 Ca 0.00 -1.07 -0.00 0.00 -2.50 0.00 0.00 55.36 51.79 1tug s GLN 8 Cb 0.00 0.42 0.00 0.00 -1.64 0.00 0.00 33.01 31.79 1tug s GLN 8 CO 0.00 -0.46 0.00 1.33 0.50 0.00 0.00 175.29 176.66 1tug n VAL 9 N -0.24 -0.15 -3.54 1.34 0.24 -1.26 -4.70 118.33 110.01 1tug n VAL 9 Ca -0.09 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.02 1tug n VAL 9 Cb 0.63 -1.65 -0.01 0.00 -1.47 0.00 0.00 33.84 31.34 1tug n VAL 9 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1tug s GLU 10 N -0.00 3.12 0.55 7.34 -6.30 -1.26 -5.02 118.70 117.14 1tug s GLU 10 Ca -0.00 -1.01 -0.07 0.00 -2.50 0.00 0.00 54.97 51.39 1tug s GLU 10 Cb 0.00 -2.80 -0.03 0.00 0.00 0.00 0.00 34.13 31.30 1tug s GLU 10 CO 0.00 0.10 0.89 0.00 0.02 0.00 0.00 175.26 176.27 1tug s ALA 11 N -2.16 3.28 0.15 6.30 0.00 -1.26 -5.11 121.76 122.95 1tug s ALA 11 Ca 0.44 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1tug s ALA 11 Cb -0.09 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1tug s ALA 11 CO 0.31 -0.56 -0.11 0.96 0.00 0.00 0.00 175.76 176.35 1tug s ILE 12 N -2.93 1.28 -0.03 0.00 -4.36 -1.26 -5.09 121.20 108.81 1tug s ILE 12 Ca 0.51 -2.01 -0.19 0.00 -0.26 0.00 0.00 60.65 58.70 1tug s ILE 12 Cb -0.11 -1.80 -0.12 0.00 1.25 0.00 0.00 42.46 41.69 1tug s ILE 12 CO 0.48 -0.66 0.83 0.50 0.24 0.00 0.00 174.94 176.33 1tug h LYS 13 N 2.91 -0.50 -5.11 0.37 3.64 -1.95 -3.22 116.57 112.71 1tug h LYS 13 Ca -0.37 0.03 -0.62 0.00 -1.27 0.00 0.00 60.65 58.42 1tug h LYS 13 Cb 1.20 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 33.00 1tug h LYS 13 CO 0.61 -0.23 -0.51 1.03 -2.27 0.00 0.00 179.45 178.07 1tug s ARG 14 N -3.73 2.06 0.00 1.90 0.52 -1.25 0.76 118.95 119.21 1tug s ARG 14 Ca -0.11 -2.29 0.00 0.00 -0.52 0.00 0.00 55.73 52.82 1tug s ARG 14 Cb 0.01 -1.01 0.00 0.00 0.52 0.00 0.00 34.95 34.47 1tug s ARG 14 CO 0.36 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.65 1tug n GLY 15 N -1.08 0.17 2.99 -3.53 0.00 -0.53 -3.54 105.19 99.67 1tug n GLY 15 Ca -0.12 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 1tug n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tug s THR 16 N 0.00 0.45 -0.18 2.61 2.01 0.34 -1.35 115.64 119.52 1tug s THR 16 Ca 0.00 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1tug s THR 16 Cb 0.00 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.11 1tug s THR 16 CO 0.00 -0.03 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.05 1tug s VAL 17 N -0.49 1.87 -0.41 3.82 1.01 0.13 -0.96 120.40 125.36 1tug s VAL 17 Ca -0.02 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1tug s VAL 17 Cb -0.04 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.61 1tug s VAL 17 CO -0.00 0.40 0.27 -0.63 0.00 0.00 0.00 175.10 175.14 1tug s ILE 18 N 1.34 4.75 0.41 2.22 1.01 0.14 -1.66 121.20 129.41 1tug s ILE 18 Ca 0.02 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 59.75 1tug s ILE 18 Cb -0.14 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1tug s ILE 18 CO -0.11 -0.39 0.40 -0.62 0.00 0.00 0.00 174.94 174.22 1tug s ASP 19 N 1.93 5.14 -1.52 3.58 -1.08 0.20 -1.64 116.67 123.26 1tug s ASP 19 Ca 0.03 -0.69 -0.02 0.00 -0.52 0.00 0.00 52.55 51.35 1tug s ASP 19 Cb -0.21 -0.61 0.01 0.00 -1.46 0.00 0.00 42.92 40.65 1tug s ASP 19 CO 0.06 -0.65 0.23 1.41 0.52 0.00 0.00 175.17 176.74 1tug n HIS 20 N -1.57 -1.45 -2.29 -5.34 8.25 -1.24 -1.40 115.22 110.16 1tug n HIS 20 Ca 0.04 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.28 1tug n HIS 20 Cb 0.61 -3.79 -0.03 0.00 1.12 0.00 0.00 29.99 27.91 1tug n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1tug s ILE 21 N -2.99 3.81 0.79 1.59 -1.09 -1.16 -3.85 121.20 118.29 1tug s ILE 21 Ca 0.13 1.23 -0.13 0.00 -2.23 0.00 0.00 60.65 59.64 1tug s ILE 21 Cb -0.06 -3.79 0.07 0.00 -1.58 0.00 0.00 42.46 37.10 1tug s ILE 21 CO 0.16 0.03 1.19 -2.16 -1.23 0.00 0.00 174.94 172.93 1tug s PRO 22 N 1.95 1.81 1.42 2.79 0.04 -1.26 0.87 135.00 142.61 1tug s PRO 22 Ca 0.62 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 63.12 1tug s PRO 22 Cb -0.31 -1.80 0.36 0.00 0.04 0.00 0.00 34.50 32.80 1tug s PRO 22 CO 0.27 -2.08 0.95 0.00 0.04 0.00 0.00 177.00 176.18 1tug s ALA 23 N -2.18 -0.51 0.00 8.56 0.00 -1.05 -3.28 121.76 123.30 1tug s ALA 23 Ca 0.72 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1tug s ALA 23 Cb -0.28 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1tug s ALA 23 CO 0.49 -4.52 0.00 1.04 0.00 0.00 0.00 175.76 172.78 1tug n GLN 24 N -5.57 -0.67 -0.07 0.00 1.13 -1.26 -4.73 117.38 106.21 1tug n GLN 24 Ca 0.14 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.18 1tug n GLN 24 Cb 0.61 -1.44 -0.16 0.00 0.11 0.00 0.00 30.24 29.36 1tug n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1tug n ILE 25 N -0.22 0.86 -0.04 5.09 2.08 -1.20 -4.29 119.36 121.64 1tug n ILE 25 Ca 0.00 -0.70 -0.08 0.00 0.56 0.00 0.00 62.75 62.52 1tug n ILE 25 Cb 0.00 -0.31 -0.03 0.00 -0.75 0.00 0.00 39.64 38.56 1tug n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1tug h GLY 26 N 3.82 0.18 1.23 7.39 0.00 -1.85 0.52 103.07 114.36 1tug h GLY 26 Ca -0.34 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1tug h GLY 26 CO 0.02 -0.05 0.05 -2.75 0.00 0.00 0.00 176.54 173.81 1tug h PHE 27 N 0.05 1.00 -0.74 5.60 3.57 -1.95 -1.86 116.94 122.61 1tug h PHE 27 Ca 0.10 -0.14 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1tug h PHE 27 Cb 0.13 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 1tug h PHE 27 CO -0.19 0.88 0.40 0.87 -2.23 0.00 0.00 178.31 178.04 1tug h LYS 28 N 0.88 0.67 -0.48 1.11 1.57 -0.95 -0.56 116.57 118.81 1tug h LYS 28 Ca 0.17 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1tug h LYS 28 Cb 0.45 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1tug h LYS 28 CO 0.02 0.44 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.25 1tug h LEU 29 N 0.69 0.85 -0.36 2.94 3.38 0.06 -0.37 115.31 122.50 1tug h LEU 29 Ca 0.36 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1tug h LEU 29 Cb 0.33 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1tug h LEU 29 CO -0.24 0.96 -0.09 -0.07 0.09 0.00 0.00 178.44 179.09 1tug h LEU 30 N 0.72 -0.35 0.56 1.67 3.38 -0.47 -2.14 115.31 118.68 1tug h LEU 30 Ca 0.13 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1tug h LEU 30 Cb 0.54 0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1tug h LEU 30 CO 0.03 -0.12 -0.27 0.28 0.09 0.00 0.00 178.44 178.45 1tug h SER 31 N -0.01 -0.64 -0.65 -0.43 0.02 -1.10 -2.77 113.55 107.98 1tug h SER 31 Ca 0.17 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1tug h SER 31 Cb 0.27 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1tug h SER 31 CO -0.37 -0.41 0.34 -0.07 -1.14 0.00 0.00 176.83 175.18 1tug h LEU 32 N -0.85 0.83 -3.18 5.07 3.38 -1.03 -3.07 115.31 116.48 1tug h LEU 32 Ca -0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1tug h LEU 32 Cb 0.58 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1tug h LEU 32 CO 0.13 0.70 0.00 0.49 0.09 0.00 0.00 178.44 179.85 1tug n PHE 33 N -4.51 1.57 -4.04 1.13 3.72 -0.81 -4.93 117.46 109.59 1tug n PHE 33 Ca 0.05 -0.62 -0.43 0.00 -0.05 0.00 0.00 57.45 56.40 1tug n PHE 33 Cb 0.10 -0.27 0.01 0.00 -0.94 0.00 0.00 39.48 38.39 1tug n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1tug n LYS 34 N 1.14 -0.49 0.00 -1.08 5.02 -1.15 -4.91 118.16 116.70 1tug n LYS 34 Ca 0.27 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.81 1tug n LYS 34 Cb 0.93 -2.85 0.38 0.00 -0.02 0.00 0.00 35.03 33.46 1tug n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1tug n LEU 35 N -4.90 0.41 0.00 -0.35 4.77 -1.06 -3.45 117.00 112.42 1tug n LEU 35 Ca -0.13 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1tug n LEU 35 Cb 0.58 -0.30 0.22 0.00 -2.33 0.00 0.00 43.42 41.59 1tug n LEU 35 CO 0.75 0.10 0.41 0.35 -1.33 0.00 0.00 177.39 177.66 1tug n THR 36 N -1.40 0.00 -1.59 -5.08 -2.24 -1.26 -4.49 114.28 98.21 1tug n THR 36 Ca 0.07 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 1tug n THR 36 Cb 0.33 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1tug n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1tug n GLU 37 N -1.51 2.22 -3.60 -0.78 1.02 -1.22 -4.69 120.64 112.08 1tug n GLU 37 Ca 0.05 -2.34 -0.06 0.00 -0.02 0.00 0.00 57.16 54.79 1tug n GLU 37 Cb 0.34 -3.19 -0.04 0.00 -0.02 0.00 0.00 31.44 28.53 1tug n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1tug s THR 38 N 4.68 0.00 -0.21 2.62 -1.32 -1.26 -5.06 115.64 115.08 1tug s THR 38 Ca 0.54 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.16 1tug s THR 38 Cb 0.12 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.61 1tug s THR 38 CO 0.03 0.00 1.41 -0.90 -2.21 0.00 0.00 174.62 172.95 1tug n ASP 39 N 0.45 3.29 -4.90 8.08 5.68 -1.26 -4.99 116.55 122.90 1tug n ASP 39 Ca -0.05 -3.25 -0.29 0.00 -0.50 0.00 0.00 54.79 50.70 1tug n ASP 39 Cb 0.59 -0.56 -0.03 0.00 -1.14 0.00 0.00 41.12 39.98 1tug n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1tug s GLN 40 N -2.96 3.66 0.05 0.11 -1.52 -1.26 -5.01 119.66 112.72 1tug s GLN 40 Ca 0.42 0.18 -0.31 0.00 -1.95 0.00 0.00 55.36 53.69 1tug s GLN 40 Cb 0.35 -2.51 -0.10 0.00 -0.22 0.00 0.00 33.01 30.53 1tug s GLN 40 CO 0.05 0.06 1.90 -2.13 -0.25 0.00 0.00 175.29 174.92 1tug n ARG 41 N -1.33 2.71 -4.87 2.91 0.63 -1.26 -4.86 116.66 110.59 1tug n ARG 41 Ca -0.00 0.99 -0.28 0.00 -0.92 0.00 0.00 57.85 57.64 1tug n ARG 41 Cb 0.54 -2.90 -0.17 0.00 0.45 0.00 0.00 32.46 30.38 1tug n ARG 41 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1tug s ILE 42 N 3.70 1.54 -0.19 5.15 1.01 -1.26 -2.11 121.20 129.04 1tug s ILE 42 Ca 0.87 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1tug s ILE 42 Cb -0.50 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1tug s ILE 42 CO 0.42 0.44 -0.11 -0.89 0.00 0.00 0.00 174.94 174.80 1tug s THR 43 N 0.48 2.87 -0.08 2.92 2.01 -0.45 -5.02 115.64 118.37 1tug s THR 43 Ca -0.16 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1tug s THR 43 Cb -0.16 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.09 1tug s THR 43 CO 0.06 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.67 1tug s ILE 44 N 1.24 1.48 -0.14 1.82 1.09 -1.26 -0.81 121.20 124.62 1tug s ILE 44 Ca 0.03 -0.68 -0.00 0.00 -1.10 0.00 0.00 60.65 58.90 1tug s ILE 44 Cb -0.14 -1.32 -0.01 0.00 -1.06 0.00 0.00 42.46 39.93 1tug s ILE 44 CO -0.05 0.43 -0.13 -0.83 -0.10 0.00 0.00 174.94 174.26 1tug s GLY 45 N 0.56 1.52 -0.04 6.18 0.00 -0.89 -5.03 107.32 109.62 1tug s GLY 45 Ca -0.16 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.67 1tug s GLY 45 CO 0.05 -0.09 -0.22 1.08 0.00 0.00 0.00 173.10 173.92 1tug s LEU 46 N 0.55 2.27 -1.02 0.66 1.43 -1.26 -1.14 118.68 120.17 1tug s LEU 46 Ca -0.09 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1tug s LEU 46 Cb -0.16 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1tug s LEU 46 CO 0.04 0.30 0.00 0.59 0.23 0.00 0.00 176.35 177.50 1tug n ASN 47 N 2.61 -3.88 -4.77 2.29 3.02 -0.97 -4.99 115.26 108.57 1tug n ASN 47 Ca -0.17 0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.14 1tug n ASN 47 Cb 0.52 -2.79 0.02 0.00 -0.61 0.00 0.00 39.78 36.92 1tug n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1tug s LEU 48 N -2.85 3.65 0.22 3.41 1.43 -0.33 -4.66 118.68 119.56 1tug s LEU 48 Ca 0.00 2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 1tug s LEU 48 Cb 0.00 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.56 1tug s LEU 48 CO 0.00 -1.35 0.93 -2.84 0.23 0.00 0.00 176.35 173.32 1tug s PRO 49 N -3.50 4.82 -0.23 1.29 0.02 -1.26 0.19 135.00 136.33 1tug s PRO 49 Ca 0.71 1.46 0.01 0.00 0.02 0.00 0.00 61.00 63.20 1tug s PRO 49 Cb -0.23 -3.29 0.25 0.00 0.02 0.00 0.00 34.50 31.25 1tug s PRO 49 CO 0.31 0.50 1.64 0.45 -0.33 0.00 0.00 177.00 179.57 1tug n SER 50 N 1.60 4.53 0.00 2.53 2.88 -1.17 -4.66 113.62 119.34 1tug n SER 50 Ca -0.02 -2.81 0.00 0.00 -1.33 0.00 0.00 58.87 54.71 1tug n SER 50 Cb 0.47 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1tug n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tug n GLY 51 N 0.07 2.45 0.00 0.46 0.00 -1.26 -1.79 105.19 105.11 1tug n GLY 51 Ca 0.26 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1tug n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tug n GLU 52 N 0.00 0.00 -0.72 1.61 -0.58 -1.26 -4.99 120.64 114.71 1tug n GLU 52 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1tug n GLU 52 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 1tug n GLU 52 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1tug n MET 53 N 0.00 1.43 0.00 3.49 1.56 -1.23 -4.89 117.12 117.48 1tug n MET 53 Ca 0.00 -0.64 0.00 0.00 -0.27 0.00 0.00 57.70 56.79 1tug n MET 53 Cb 0.10 -1.75 0.00 0.00 2.15 0.00 0.00 33.22 33.72 1tug n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1tug n GLY 54 N 2.43 -0.24 3.18 -5.12 0.00 -1.26 -4.62 105.19 99.56 1tug n GLY 54 Ca 0.28 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1tug n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tug s ARG 55 N 0.00 3.06 0.27 1.61 1.70 -1.26 -3.04 118.95 121.29 1tug s ARG 55 Ca 0.00 -0.83 0.07 0.00 -0.47 0.00 0.00 55.73 54.50 1tug s ARG 55 Cb 0.00 -2.49 -0.03 0.00 -0.57 0.00 0.00 34.95 31.86 1tug s ARG 55 CO 0.00 -0.03 0.25 -1.59 -1.08 0.00 0.00 175.30 172.85 1tug s LYS 56 N 0.88 2.96 0.44 3.89 -2.85 0.52 -2.55 119.74 123.02 1tug s LYS 56 Ca -0.05 -1.07 0.08 0.00 -1.00 0.00 0.00 55.97 53.93 1tug s LYS 56 Cb -0.15 -2.60 0.02 0.00 -2.06 0.00 0.00 37.83 33.03 1tug s LYS 56 CO -0.03 0.32 0.57 -0.51 0.10 0.00 0.00 175.35 175.80 1tug s ASP 57 N -3.91 5.50 -0.23 0.03 -0.00 0.25 -1.18 116.67 117.13 1tug s ASP 57 Ca 0.35 -0.52 -0.16 0.00 -0.00 0.00 0.00 52.55 52.22 1tug s ASP 57 Cb -0.08 -0.53 0.07 0.00 -0.00 0.00 0.00 42.92 42.38 1tug s ASP 57 CO 0.26 -0.82 0.58 -0.22 -0.00 0.00 0.00 175.17 174.98 1tug s LEU 58 N -4.36 -0.49 -0.10 1.23 0.20 -0.29 -3.00 118.68 111.86 1tug s LEU 58 Ca 0.55 1.24 0.01 0.00 0.69 0.00 0.00 54.13 56.62 1tug s LEU 58 Cb -0.09 2.00 0.02 0.00 -0.43 0.00 0.00 46.19 47.69 1tug s LEU 58 CO 0.33 -0.22 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.42 1tug s ILE 59 N 1.11 1.25 -0.22 6.68 1.01 -0.65 -2.10 121.20 128.27 1tug s ILE 59 Ca -0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1tug s ILE 59 Cb -0.06 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 1tug s ILE 59 CO -0.11 0.40 -0.05 -0.54 0.00 0.00 0.00 174.94 174.64 1tug s LYS 60 N 1.20 3.28 -0.42 2.79 1.02 0.01 0.23 119.74 127.86 1tug s LYS 60 Ca -0.03 -0.68 0.04 0.00 0.02 0.00 0.00 55.97 55.31 1tug s LYS 60 Cb -0.14 -3.00 0.11 0.00 -0.52 0.00 0.00 37.83 34.29 1tug s LYS 60 CO -0.03 -0.23 0.14 0.42 -0.92 0.00 0.00 175.35 174.73 1tug s ILE 61 N 1.45 2.47 0.46 2.17 -1.09 -0.14 -1.34 121.20 125.18 1tug s ILE 61 Ca 0.05 -2.72 -0.25 0.00 -2.23 0.00 0.00 60.65 55.50 1tug s ILE 61 Cb -0.15 -2.77 -0.08 0.00 -1.58 0.00 0.00 42.46 37.88 1tug s ILE 61 CO -0.04 -0.68 1.44 -0.62 -1.23 0.00 0.00 174.94 173.81 1tug n GLU 62 N 3.82 2.25 -4.12 2.79 1.02 -0.90 -0.50 120.64 125.00 1tug n GLU 62 Ca 0.04 0.80 -0.34 0.00 -0.02 0.00 0.00 57.16 57.64 1tug n GLU 62 Cb 0.38 -2.64 -0.01 0.00 -0.02 0.00 0.00 31.44 29.15 1tug n GLU 62 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1tug n ASN 63 N -0.24 -3.88 -3.74 1.62 3.02 -1.23 -4.56 115.26 106.25 1tug n ASN 63 Ca 0.05 -0.93 -0.15 0.00 -0.03 0.00 0.00 54.58 53.53 1tug n ASN 63 Cb 0.42 -3.14 -0.15 0.00 -0.61 0.00 0.00 39.78 36.29 1tug n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1tug s THR 64 N -3.28 -0.09 0.25 3.41 2.01 -1.21 -4.86 115.64 111.87 1tug s THR 64 Ca 0.73 0.22 0.10 0.00 0.31 0.00 0.00 61.69 63.06 1tug s THR 64 Cb -0.39 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 1tug s THR 64 CO 0.90 0.09 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.37 1tug s PHE 65 N 1.38 2.09 0.50 4.92 0.40 -1.26 -2.10 117.98 123.90 1tug s PHE 65 Ca -0.07 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1tug s PHE 65 Cb -0.12 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 1tug s PHE 65 CO -0.05 0.57 0.06 -0.51 0.70 0.00 0.00 175.22 175.99 1tug s LEU 66 N -3.35 2.44 0.35 -0.37 1.43 -1.26 -5.09 118.68 112.84 1tug s LEU 66 Ca 0.26 -1.55 0.07 0.00 -1.03 0.00 0.00 54.13 51.88 1tug s LEU 66 Cb -0.04 -0.83 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 1tug s LEU 66 CO 0.12 -0.82 0.44 -0.94 0.23 0.00 0.00 176.35 175.38 1tug s SER 67 N -3.91 5.72 0.26 2.29 1.04 -1.26 -5.01 113.70 112.83 1tug s SER 67 Ca 0.14 -0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 1tug s SER 67 Cb 0.02 -1.05 0.30 0.00 0.10 0.00 0.00 66.02 65.39 1tug s SER 67 CO 0.08 -0.48 1.87 -0.33 0.98 0.00 0.00 173.24 175.35 1tug h GLU 68 N 0.94 1.13 0.93 4.02 5.08 -2.01 -1.61 114.58 123.05 1tug h GLU 68 Ca -0.44 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 1tug h GLU 68 Cb 1.26 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1tug h GLU 68 CO 0.53 0.85 -0.45 -0.44 -1.00 0.00 0.00 179.01 178.50 1tug h ASP 69 N 1.13 -1.05 -1.04 1.42 3.45 -1.97 0.63 116.42 118.99 1tug h ASP 69 Ca 0.28 0.03 0.27 0.00 0.43 0.00 0.00 57.03 58.04 1tug h ASP 69 Cb 0.07 0.27 -0.11 0.00 -0.56 0.00 0.00 39.33 39.00 1tug h ASP 69 CO -0.04 -0.74 0.65 1.56 -1.57 0.00 0.00 179.24 179.10 1tug h GLN 70 N -1.27 0.44 -0.08 3.56 4.20 -1.94 0.59 115.11 120.60 1tug h GLN 70 Ca -0.13 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.34 1tug h GLN 70 Cb 0.96 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.65 1tug h GLN 70 CO 0.21 0.29 -0.81 0.28 -0.67 0.00 0.00 178.83 178.13 1tug h VAL 71 N 0.46 1.30 0.00 -0.54 2.07 -0.92 -3.08 116.25 115.55 1tug h VAL 71 Ca 0.63 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1tug h VAL 71 Cb 1.44 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1tug h VAL 71 CO -0.38 0.63 -0.05 0.44 0.02 0.00 0.00 177.57 178.24 1tug h ASP 72 N 0.37 0.00 0.21 0.57 3.45 0.48 -1.87 116.42 119.62 1tug h ASP 72 Ca -0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.38 1tug h ASP 72 Cb 1.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.23 1tug h ASP 72 CO 0.16 0.05 0.00 0.00 -1.57 0.00 0.00 179.24 177.88 1tug n GLN 73 N -4.14 0.04 -0.01 3.56 1.13 0.16 -1.91 117.38 116.22 1tug n GLN 73 Ca -0.03 0.31 0.10 0.00 -1.94 0.00 0.00 57.00 55.45 1tug n GLN 73 Cb 0.13 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.84 1tug n GLN 73 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1tug n LEU 74 N -1.42 0.21 0.30 1.08 4.77 -0.70 -4.54 117.00 116.70 1tug n LEU 74 Ca 0.02 -0.12 0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1tug n LEU 74 Cb 0.08 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.47 1tug n LEU 74 CO 0.06 0.05 1.06 0.00 -1.33 0.00 0.00 177.39 177.24 1tug h ALA 75 N 2.04 1.84 0.00 -1.18 0.00 -1.48 -1.36 119.26 119.12 1tug h ALA 75 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1tug h ALA 75 Cb 0.81 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1tug h ALA 75 CO 0.00 -0.82 -1.65 -0.07 0.00 0.00 0.00 179.25 176.72 1tug h LEU 76 N 0.00 0.00 0.00 0.00 4.07 -1.82 -3.24 115.31 114.32 1tug h LEU 76 Ca 0.03 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.66 1tug h LEU 76 Cb 1.60 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.29 1tug h LEU 76 CO -0.00 0.94 -1.82 -1.22 -1.08 0.00 0.00 178.44 175.26 1tug n TYR 77 N -3.03 0.56 -3.80 1.13 4.01 -0.59 -4.71 117.16 110.73 1tug n TYR 77 Ca -0.15 0.24 -0.28 0.00 -0.16 0.00 0.00 57.90 57.55 1tug n TYR 77 Cb 1.02 -1.04 -0.11 0.00 -0.31 0.00 0.00 39.34 38.89 1tug n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tug n ALA 78 N -3.80 3.48 0.66 -0.72 0.00 -0.77 -4.89 120.51 114.47 1tug n ALA 78 Ca -0.42 -4.49 0.10 0.00 0.00 0.00 0.00 53.44 48.64 1tug n ALA 78 Cb 0.76 -0.99 0.44 0.00 0.00 0.00 0.00 19.45 19.66 1tug n ALA 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1tug n PRO 79 N 1.83 0.04 -1.95 0.00 -0.04 -1.22 -3.14 135.00 130.51 1tug n PRO 79 Ca 0.22 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.83 1tug n PRO 79 Cb 0.37 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 32.32 1tug n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tug n GLN 80 N -1.65 1.72 -2.48 0.54 -0.00 -1.26 -4.56 117.38 109.68 1tug n GLN 80 Ca 0.05 -3.26 -0.26 0.00 -0.00 0.00 0.00 57.00 53.53 1tug n GLN 80 Cb 0.25 -1.37 0.02 0.00 -0.00 0.00 0.00 30.24 29.15 1tug n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1tug s ALA 81 N -2.72 3.36 -0.03 2.61 0.00 -1.19 -4.75 121.76 119.04 1tug s ALA 81 Ca 0.36 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1tug s ALA 81 Cb 0.37 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1tug s ALA 81 CO -0.06 -0.70 -0.16 0.95 0.00 0.00 0.00 175.76 175.80 1tug s THR 82 N -2.91 1.30 -0.29 0.00 -4.23 -0.50 -4.28 115.64 104.73 1tug s THR 82 Ca 0.52 -0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1tug s THR 82 Cb -0.10 -1.11 0.03 0.00 1.34 0.00 0.00 72.50 72.65 1tug s THR 82 CO 0.44 0.38 0.01 -0.69 -0.54 0.00 0.00 174.62 174.22 1tug s VAL 83 N -0.07 3.29 -0.38 2.29 1.01 -0.68 0.58 120.40 126.44 1tug s VAL 83 Ca -0.01 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1tug s VAL 83 Cb -0.10 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1tug s VAL 83 CO 0.01 0.02 0.22 0.20 0.00 0.00 0.00 175.10 175.55 1tug s ASN 84 N 1.35 5.82 0.27 3.32 0.01 -0.66 -1.34 114.94 123.70 1tug s ASN 84 Ca -0.01 -0.91 -0.22 0.00 -0.71 0.00 0.00 52.86 51.01 1tug s ASN 84 Cb -0.18 -2.06 -0.09 0.00 0.41 0.00 0.00 41.25 39.33 1tug s ASN 84 CO -0.01 -0.38 0.81 0.00 -1.51 0.00 0.00 177.10 176.01 1tug s ARG 85 N 1.59 4.35 -0.02 -0.60 1.04 -0.35 -0.69 118.95 124.28 1tug s ARG 85 Ca 0.03 1.03 0.03 0.00 -1.04 0.00 0.00 55.73 55.78 1tug s ARG 85 Cb -0.19 -2.80 -0.00 0.00 -2.04 0.00 0.00 34.95 29.92 1tug s ARG 85 CO 0.08 0.33 -0.11 0.42 -0.04 0.00 0.00 175.30 175.98 1tug s ILE 86 N -1.61 0.87 -0.04 4.99 1.01 -0.46 -2.92 121.20 123.06 1tug s ILE 86 Ca 0.47 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1tug s ILE 86 Cb -0.17 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.57 1tug s ILE 86 CO 0.21 0.26 -0.04 -0.62 0.00 0.00 0.00 174.94 174.75 1tug s ASP 87 N -0.01 0.80 -0.67 3.58 -1.08 -1.01 -1.46 116.67 116.84 1tug s ASP 87 Ca -0.00 -0.11 -0.09 0.00 -0.52 0.00 0.00 52.55 51.83 1tug s ASP 87 Cb -0.07 -0.37 0.01 0.00 -1.46 0.00 0.00 42.92 41.04 1tug s ASP 87 CO 0.00 -0.05 0.65 0.59 0.52 0.00 0.00 175.17 176.88 1tug n ASN 88 N 3.92 -6.51 -0.53 -0.34 3.02 0.14 -2.96 115.26 112.00 1tug n ASN 88 Ca -0.25 -0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.02 1tug n ASN 88 Cb 0.51 -3.57 -0.01 0.00 -0.61 0.00 0.00 39.78 36.11 1tug n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1tug n TYR 89 N -1.52 -0.40 -4.08 3.10 4.02 0.23 -4.86 117.16 113.64 1tug n TYR 89 Ca -0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.67 1tug n TYR 89 Cb 0.59 -1.07 -0.11 0.00 -0.02 0.00 0.00 39.34 38.73 1tug n TYR 89 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1tug s GLU 90 N -1.27 0.59 -0.97 -0.72 -1.05 -1.16 -4.94 118.70 109.18 1tug s GLU 90 Ca 0.00 -0.88 -0.20 0.00 -0.15 0.00 0.00 54.97 53.74 1tug s GLU 90 Cb 0.00 -0.25 0.10 0.00 -0.44 0.00 0.00 34.13 33.55 1tug s GLU 90 CO 0.00 0.03 1.24 0.54 0.95 0.00 0.00 175.26 178.02 1tug s VAL 91 N -1.91 4.46 -1.98 1.83 0.11 -1.26 -2.40 120.40 119.24 1tug s VAL 91 Ca -0.05 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 57.68 1tug s VAL 91 Cb -0.06 -4.88 0.00 0.00 -1.53 0.00 0.00 36.38 29.91 1tug s VAL 91 CO -0.01 -1.66 0.77 1.33 -3.33 0.00 0.00 175.10 172.20 1tug n VAL 92 N 5.96 0.00 0.00 2.04 0.24 -1.15 -4.82 118.33 120.61 1tug n VAL 92 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 1tug n VAL 92 Cb 0.50 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1tug n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tug n GLY 93 N 0.27 2.88 3.72 7.63 0.00 -1.25 -4.98 105.19 113.47 1tug n GLY 93 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1tug n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tug s LYS 94 N -1.40 2.15 -0.04 1.61 1.02 -1.26 -1.21 119.74 120.61 1tug s LYS 94 Ca 0.00 -2.00 -0.29 0.00 0.02 0.00 0.00 55.97 53.70 1tug s LYS 94 Cb 0.00 -1.84 0.09 0.00 -0.52 0.00 0.00 37.83 35.56 1tug s LYS 94 CO 0.00 -0.17 0.77 -1.12 -0.92 0.00 0.00 175.35 173.92 1tug s SER 95 N -3.88 -0.53 0.20 2.83 0.01 -0.45 -4.94 113.70 106.94 1tug s SER 95 Ca 0.35 0.43 0.11 0.00 1.31 0.00 0.00 55.95 58.15 1tug s SER 95 Cb 0.05 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 1tug s SER 95 CO 0.19 -0.60 -0.22 -0.13 0.41 0.00 0.00 173.24 172.88 1tug s ARG 96 N -1.81 1.49 0.03 12.44 1.81 -1.26 -1.69 118.95 129.95 1tug s ARG 96 Ca -0.05 -1.54 -0.30 0.00 -1.72 0.00 0.00 55.73 52.12 1tug s ARG 96 Cb -0.00 -1.74 -0.05 0.00 -0.45 0.00 0.00 34.95 32.70 1tug s ARG 96 CO 0.02 0.37 1.27 -1.25 -0.68 0.00 0.00 175.30 175.02 1tug s PRO 97 N -2.80 4.37 -0.21 3.54 0.04 -1.26 -4.83 135.00 133.84 1tug s PRO 97 Ca 0.21 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 1tug s PRO 97 Cb -0.07 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1tug s PRO 97 CO 0.10 -0.39 0.05 -1.12 0.04 0.00 0.00 177.00 175.68 1tug s SER 98 N 1.34 5.25 0.02 6.66 0.01 -1.26 -4.73 113.70 120.99 1tug s SER 98 Ca 0.60 -0.10 -0.33 0.00 1.31 0.00 0.00 55.95 57.42 1tug s SER 98 Cb -0.30 -1.92 -0.12 0.00 0.21 0.00 0.00 66.02 63.90 1tug s SER 98 CO 0.27 0.06 1.79 -0.11 0.41 0.00 0.00 173.24 175.66 1tug n LEU 99 N 4.28 3.46 0.00 2.44 0.00 -1.26 -4.42 117.00 121.50 1tug n LEU 99 Ca -0.16 1.00 0.00 0.00 0.00 0.00 0.00 56.01 56.85 1tug n LEU 99 Cb 0.52 -1.42 0.00 0.00 0.00 0.00 0.00 43.42 42.52 1tug n LEU 99 CO 0.33 -0.08 0.00 -0.81 0.00 0.00 0.00 177.39 176.83 1tug n PRO 100 N 5.56 0.13 -0.06 1.96 -0.04 -1.26 -5.03 135.00 136.26 1tug n PRO 100 Ca 0.20 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.64 1tug n PRO 100 Cb 0.31 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.76 1tug n PRO 100 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1tug h GLU 101 N 0.00 0.00 -5.27 0.54 -0.00 -1.92 -3.43 114.58 104.50 1tug h GLU 101 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 59.36 58.90 1tug h GLU 101 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 28.75 28.61 1tug h GLU 101 CO 0.00 0.08 -0.64 -0.98 -0.00 0.00 0.00 179.01 177.47 1tug s ARG 102 N -1.78 1.56 -0.20 1.06 1.70 -1.26 -0.80 118.95 119.24 1tug s ARG 102 Ca -0.05 -1.83 -0.05 0.00 -0.47 0.00 0.00 55.73 53.33 1tug s ARG 102 Cb 0.00 -0.90 0.07 0.00 -0.57 0.00 0.00 34.95 33.56 1tug s ARG 102 CO 0.11 -0.11 0.11 0.42 -1.08 0.00 0.00 175.30 174.75 1tug s ILE 103 N -3.24 -0.11 0.17 4.99 1.01 0.97 -4.88 121.20 120.11 1tug s ILE 103 Ca 0.33 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 1tug s ILE 103 Cb 0.07 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1tug s ILE 103 CO 0.13 -0.37 0.38 -1.81 0.00 0.00 0.00 174.94 173.28 1tug s ASP 104 N 2.15 6.44 0.00 3.58 -0.00 -1.26 -1.02 116.67 126.57 1tug s ASP 104 Ca 0.04 0.51 0.00 0.00 -0.00 0.00 0.00 52.55 53.10 1tug s ASP 104 Cb -0.16 -2.06 0.00 0.00 -0.00 0.00 0.00 42.92 40.70 1tug s ASP 104 CO -0.15 0.01 0.00 0.59 -0.00 0.00 0.00 175.17 175.62 1tug n ASN 105 N -0.24 -4.19 0.00 0.27 3.02 0.23 -4.65 115.26 109.71 1tug n ASN 105 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1tug n ASN 105 Cb 0.53 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 1tug n ASN 105 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1tug n VAL 106 N -1.91 0.00 -1.88 2.41 0.24 -1.26 -4.71 118.33 111.21 1tug n VAL 106 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 1tug n VAL 106 Cb 0.35 -0.40 0.20 0.00 -1.47 0.00 0.00 33.84 32.51 1tug n VAL 106 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1tug n LEU 107 N -1.73 0.00 -3.71 1.34 4.77 -1.26 -5.09 117.00 111.32 1tug n LEU 107 Ca 0.00 -1.39 -0.16 0.00 -0.03 0.00 0.00 56.01 54.43 1tug n LEU 107 Cb 0.29 -0.97 -0.16 0.00 -2.33 0.00 0.00 43.42 40.25 1tug n LEU 107 CO 0.00 -1.41 -0.27 -0.69 -1.33 0.00 0.00 177.39 173.69 1tug s VAL 108 N -3.78 -0.13 0.16 4.08 1.01 -1.26 -4.77 120.40 115.71 1tug s VAL 108 Ca 0.72 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 1tug s VAL 108 Cb -0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 36.38 36.06 1tug s VAL 108 CO 0.50 0.12 1.38 0.00 0.00 0.00 0.00 175.10 177.10 1tug h PRO 110 N 6.12 0.57 -6.27 0.00 0.11 -1.90 -3.42 132.00 127.21 1tug h PRO 110 Ca -0.43 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.09 1tug h PRO 110 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1tug h PRO 110 CO 0.83 0.38 1.17 1.21 -0.21 0.00 0.00 178.00 181.38 1tug s ASN 111 N -5.87 6.44 0.00 -2.05 2.47 -1.26 -4.88 114.94 109.79 1tug s ASN 111 Ca -0.09 2.22 0.21 0.00 0.42 0.00 0.00 52.86 55.62 1tug s ASN 111 Cb 0.21 -2.53 0.93 0.00 -1.45 0.00 0.00 41.25 38.42 1tug s ASN 111 CO 0.78 -1.12 1.68 -1.54 -3.72 0.00 0.00 177.10 173.18 1tug n SER 112 N 7.91 0.00 -1.02 -4.21 3.41 -1.26 -2.68 113.62 115.77 1tug n SER 112 Ca 0.19 0.41 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 1tug n SER 112 Cb 0.43 -0.46 0.21 0.00 -0.26 0.00 0.00 64.21 64.12 1tug n SER 112 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tug n ASN 113 N -1.46 3.31 -4.70 4.04 5.15 -1.26 -4.95 115.26 115.38 1tug n ASN 113 Ca 0.06 -1.94 -0.42 0.00 -0.60 0.00 0.00 54.58 51.68 1tug n ASN 113 Cb 0.23 -0.27 -0.03 0.00 -0.53 0.00 0.00 39.78 39.18 1tug n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tug h ILE 115 N 4.39 0.00 0.00 0.00 6.09 -1.92 -2.28 117.51 123.79 1tug h ILE 115 Ca -0.42 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1tug h ILE 115 Cb 1.20 1.02 0.00 0.00 0.47 0.00 0.00 36.82 39.51 1tug h ILE 115 CO 0.92 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.46 1tug n SER 116 N -3.04 0.66 -3.02 2.19 3.41 -1.26 -3.34 113.62 109.23 1tug n SER 116 Ca -0.03 -1.62 -0.32 0.00 -0.26 0.00 0.00 58.87 56.65 1tug n SER 116 Cb 0.09 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.70 1tug n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1tug n HIS 117 N -0.01 3.53 0.00 7.33 8.25 -0.86 -4.57 115.22 128.89 1tug n HIS 117 Ca 0.00 -3.33 0.00 0.00 -0.26 0.00 0.00 57.72 54.13 1tug n HIS 117 Cb 0.16 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.63 1tug n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tug n ALA 118 N -0.28 0.00 -2.76 -1.41 0.00 -1.21 -5.04 120.51 109.81 1tug n ALA 118 Ca 0.39 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.57 1tug n ALA 118 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1tug n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tug s GLU 119 N -1.23 2.74 0.00 0.00 0.41 -1.26 -5.00 118.70 114.37 1tug s GLU 119 Ca 0.00 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 53.56 1tug s GLU 119 Cb 0.00 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1tug s GLU 119 CO 0.00 0.45 0.27 -0.35 -0.49 0.00 0.00 175.26 175.15 1tug n PRO 120 N -0.49 0.00 -5.24 0.39 -0.04 -1.26 -4.79 135.00 123.58 1tug n PRO 120 Ca -0.08 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.06 1tug n PRO 120 Cb 0.56 -1.30 -0.16 0.00 -0.04 0.00 0.00 33.50 32.55 1tug n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1tug s VAL 121 N 2.15 2.10 0.34 0.52 -7.23 -1.26 -5.09 120.40 111.93 1tug s VAL 121 Ca 0.00 -1.04 -0.26 0.00 -1.81 0.00 0.00 61.98 58.86 1tug s VAL 121 Cb 0.00 -1.77 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 1tug s VAL 121 CO 0.00 0.57 1.02 -0.94 -0.31 0.00 0.00 175.10 175.44 1tug s SER 122 N -0.08 7.12 0.30 4.85 1.04 -1.26 -5.00 113.70 120.67 1tug s SER 122 Ca -0.06 2.02 -0.26 0.00 0.48 0.00 0.00 55.95 58.13 1tug s SER 122 Cb -0.14 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.29 1tug s SER 122 CO 0.05 -0.23 0.91 -0.94 0.98 0.00 0.00 173.24 174.00 1tug s SER 123 N -1.40 7.34 -0.02 7.02 1.04 -1.26 -4.83 113.70 121.58 1tug s SER 123 Ca 0.51 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.77 1tug s SER 123 Cb -0.23 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.32 1tug s SER 123 CO 0.30 -0.02 -0.13 -0.55 0.98 0.00 0.00 173.24 173.81 1tug s SER 124 N -1.56 1.64 -0.08 7.02 0.15 -1.26 -0.60 113.70 119.01 1tug s SER 124 Ca 0.48 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.89 1tug s SER 124 Cb -0.19 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 63.83 1tug s SER 124 CO 0.24 0.14 -0.13 -0.36 1.20 0.00 0.00 173.24 174.34 1tug s PHE 125 N -0.12 1.59 0.30 3.44 0.08 -0.19 -1.80 117.98 121.27 1tug s PHE 125 Ca 0.01 -0.65 -0.29 0.00 0.12 0.00 0.00 56.93 56.12 1tug s PHE 125 Cb -0.07 -1.18 -0.09 0.00 -0.57 0.00 0.00 43.02 41.10 1tug s PHE 125 CO 0.00 -0.35 1.09 0.00 -0.10 0.00 0.00 175.22 175.86 1tug s ALA 126 N 0.86 3.36 -0.10 5.36 0.00 0.99 -0.02 121.76 132.20 1tug s ALA 126 Ca -0.10 0.86 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 1tug s ALA 126 Cb -0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1tug s ALA 126 CO 0.01 -0.16 -0.09 0.08 0.00 0.00 0.00 175.76 175.60 1tug s VAL 127 N -1.24 3.44 -0.22 0.00 1.01 0.02 -0.62 120.40 122.80 1tug s VAL 127 Ca 0.46 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1tug s VAL 127 Cb -0.30 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.71 1tug s VAL 127 CO 0.39 0.55 0.56 -0.60 0.00 0.00 0.00 175.10 176.00 1tug s ARG 128 N -0.17 0.60 0.18 2.72 3.52 -0.80 -4.74 118.95 120.26 1tug s ARG 128 Ca 0.01 0.91 -0.09 0.00 -0.13 0.00 0.00 55.73 56.43 1tug s ARG 128 Cb -0.13 0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.37 1tug s ARG 128 CO 0.03 -0.12 0.49 0.21 -0.81 0.00 0.00 175.30 175.10 1tug s LYS 129 N 0.95 3.78 0.00 5.12 2.47 -1.26 0.46 119.74 131.26 1tug s LYS 129 Ca -0.05 0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.56 1tug s LYS 129 Cb -0.05 -2.76 0.00 0.00 -1.46 0.00 0.00 37.83 33.55 1tug s LYS 129 CO -0.08 0.40 0.00 0.54 0.16 0.00 0.00 175.35 176.36 1tug n ARG 130 N 0.13 1.86 0.20 4.03 3.00 0.49 -4.89 116.66 121.47 1tug n ARG 130 Ca -0.02 -0.03 -0.16 0.00 -0.01 0.00 0.00 57.85 57.64 1tug n ARG 130 Cb 0.52 0.01 -0.09 0.00 0.00 0.00 0.00 32.46 32.90 1tug n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tug h ALA 131 N 0.93 -1.05 0.00 7.54 0.00 -2.03 -3.33 119.26 121.32 1tug h ALA 131 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1tug h ALA 131 Cb 0.01 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1tug h ALA 131 CO 0.01 -1.12 -0.01 0.27 0.00 0.00 0.00 179.25 178.40 1tug n ASN 132 N -5.20 2.18 -3.67 0.00 6.94 -1.26 -5.06 115.26 109.19 1tug n ASN 132 Ca -0.10 -2.66 -0.05 0.00 -0.02 0.00 0.00 54.58 51.76 1tug n ASN 132 Cb 0.40 -0.26 -0.01 0.00 -2.36 0.00 0.00 39.78 37.55 1tug n ASN 132 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 1tug s ASP 133 N -2.14 -0.17 -0.14 0.53 3.84 -1.25 -5.13 116.67 112.21 1tug s ASP 133 Ca 0.20 -0.57 -0.01 0.00 -0.00 0.00 0.00 52.55 52.16 1tug s ASP 133 Cb 0.17 0.60 -0.02 0.00 -1.38 0.00 0.00 42.92 42.29 1tug s ASP 133 CO 0.02 -1.14 -0.09 -0.63 -0.00 0.00 0.00 175.17 173.33 1tug s ILE 134 N -3.29 3.44 0.08 2.11 1.01 -1.26 0.18 121.20 123.48 1tug s ILE 134 Ca 0.13 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1tug s ILE 134 Cb -0.03 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 1tug s ILE 134 CO 0.05 0.52 0.40 0.00 0.00 0.00 0.00 174.94 175.90 1tug s ALA 135 N 0.26 3.73 -0.15 9.38 0.00 0.17 0.19 121.76 135.34 1tug s ALA 135 Ca -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 1tug s ALA 135 Cb -0.15 -2.26 0.04 0.00 0.00 0.00 0.00 23.12 20.76 1tug s ALA 135 CO 0.04 0.57 -0.02 -0.51 0.00 0.00 0.00 175.76 175.85 1tug s LEU 136 N -1.96 1.29 -0.21 0.00 1.43 0.14 -1.90 118.68 117.46 1tug s LEU 136 Ca 0.33 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 1tug s LEU 136 Cb -0.14 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 1tug s LEU 136 CO 0.18 -0.22 0.37 -0.75 0.23 0.00 0.00 176.35 176.16 1tug s LYS 137 N 1.77 4.14 0.34 1.70 2.20 0.21 -1.32 119.74 128.78 1tug s LYS 137 Ca 0.01 0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.48 1tug s LYS 137 Cb -0.15 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.53 1tug s LYS 137 CO -0.07 -0.05 1.08 0.00 -0.36 0.00 0.00 175.35 175.95 1tug h LYS 139 N 3.11 0.18 0.00 0.00 3.64 -1.70 -2.60 116.57 119.20 1tug h LYS 139 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1tug h LYS 139 Cb 1.22 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1tug h LYS 139 CO 0.64 0.12 -0.44 1.88 -2.27 0.00 0.00 179.45 179.38 1tug h TYR 140 N 0.18 0.00 -1.00 1.91 0.05 -1.93 -3.38 116.97 112.81 1tug h TYR 140 Ca 0.06 0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.01 1tug h TYR 140 Cb -0.00 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 37.57 1tug h TYR 140 CO -0.08 0.00 -0.33 0.00 -1.05 0.00 0.00 178.16 176.70 1tug n GLU 142 N -5.53 -0.05 -2.39 0.00 2.13 -0.98 -5.00 120.64 108.82 1tug n GLU 142 Ca 0.13 0.01 -0.33 0.00 0.66 0.00 0.00 57.16 57.63 1tug n GLU 142 Cb 0.44 -2.89 -0.03 0.00 0.27 0.00 0.00 31.44 29.23 1tug n GLU 142 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1tug s LYS 143 N -0.18 3.81 -0.06 5.31 3.01 -1.26 -4.63 119.74 125.74 1tug s LYS 143 Ca 0.00 1.09 0.03 0.00 -1.01 0.00 0.00 55.97 56.09 1tug s LYS 143 Cb 0.00 -2.11 0.01 0.00 -1.01 0.00 0.00 37.83 34.71 1tug s LYS 143 CO 0.00 -0.39 -0.16 -2.00 0.51 0.00 0.00 175.35 173.31 1tug s GLU 144 N -3.84 1.92 0.14 1.68 2.12 -1.26 -0.79 118.70 118.68 1tug s GLU 144 Ca 0.62 -0.55 0.08 0.00 0.36 0.00 0.00 54.97 55.47 1tug s GLU 144 Cb -0.12 -1.58 -0.04 0.00 0.26 0.00 0.00 34.13 32.65 1tug s GLU 144 CO 0.29 0.13 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.90 1tug s PHE 145 N 0.38 1.68 0.37 5.30 0.40 -0.44 -4.86 117.98 120.81 1tug s PHE 145 Ca -0.11 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.46 1tug s PHE 145 Cb -0.14 -0.87 -0.10 0.00 0.51 0.00 0.00 43.02 42.42 1tug s PHE 145 CO 0.04 0.25 1.37 0.45 0.70 0.00 0.00 175.22 178.03 1tug s SER 146 N -2.42 6.47 0.52 1.36 0.15 -1.26 0.27 113.70 118.78 1tug s SER 146 Ca 0.11 2.81 0.20 0.00 0.70 0.00 0.00 55.95 59.77 1tug s SER 146 Cb -0.07 -2.65 1.31 0.00 -1.71 0.00 0.00 66.02 62.90 1tug s SER 146 CO 0.05 -0.76 2.07 1.12 1.20 0.00 0.00 173.24 176.92 1tug h HIS 147 N 3.03 0.03 -0.33 3.44 2.07 0.17 0.97 115.15 124.53 1tug h HIS 147 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 1tug h HIS 147 Cb 1.24 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 31.19 1tug h HIS 147 CO 0.54 0.02 0.21 -0.91 -3.07 0.00 0.00 177.93 174.72 1tug h ASN 148 N 0.03 0.38 0.36 3.10 2.35 -1.90 0.15 115.58 120.06 1tug h ASN 148 Ca 0.13 -0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 55.55 1tug h ASN 148 Cb 0.48 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1tug h ASN 148 CO -0.01 0.28 -1.78 1.62 -1.65 0.00 0.00 177.43 175.90 1tug h VAL 149 N 0.45 0.81 0.00 2.81 3.04 -1.19 -3.30 116.25 118.87 1tug h VAL 149 Ca 0.12 -2.59 -0.03 0.00 -1.01 0.00 0.00 66.70 63.19 1tug h VAL 149 Cb -0.04 2.50 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1tug h VAL 149 CO -0.03 0.68 -0.15 0.58 -1.01 0.00 0.00 177.57 177.65 1tug h VAL 150 N 0.03 0.90 0.00 1.51 2.07 -0.93 -0.27 116.25 119.57 1tug h VAL 150 Ca -0.33 -0.54 -0.35 0.00 0.82 0.00 0.00 66.70 66.31 1tug h VAL 150 Cb 2.02 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 1tug h VAL 150 CO 0.09 0.14 1.27 0.18 0.02 0.00 0.00 177.57 179.28 1tug n LEU 151 N -4.07 6.05 -4.55 2.57 7.99 0.47 -4.53 117.00 120.92 1tug n LEU 151 Ca -0.02 -3.38 -0.37 0.00 -0.01 0.00 0.00 56.01 52.22 1tug n LEU 151 Cb 0.23 -1.36 -0.03 0.00 -0.11 0.00 0.00 43.42 42.15 1tug n LEU 151 CO 0.34 1.61 1.84 0.00 -1.51 0.00 0.00 177.39 179.67 1tug s ALA 152 N 1.69 1.87 0.00 -1.18 0.00 -0.11 -4.94 121.76 119.09 1tug s ALA 152 Ca 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1tug s ALA 152 Cb 0.24 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1tug s ALA 152 CO -0.02 -4.20 0.00 0.09 0.00 0.00 0.00 175.76 171.63