#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 0.00 -1.23 2.03 -1.04 -1.26 -4.50 114.28 108.29 1tug n THR 2 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1tug n THR 2 Cb 0.00 -0.31 -0.08 0.00 -1.82 0.00 0.00 70.33 68.11 1tug n THR 2 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1tug n HIS 3 N 4.34 0.13 -3.85 -1.42 -0.00 -1.26 -4.80 115.22 108.36 1tug n HIS 3 Ca 0.32 -0.01 -0.30 0.00 0.46 0.00 0.00 57.72 58.19 1tug n HIS 3 Cb -0.03 -0.78 -0.14 0.00 -0.12 0.00 0.00 29.99 28.93 1tug n HIS 3 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1tug s ASP 4 N 1.24 4.06 -0.14 0.26 2.15 -1.26 -4.74 116.67 118.23 1tug s ASP 4 Ca 0.52 -2.77 0.06 0.00 0.43 0.00 0.00 52.55 50.79 1tug s ASP 4 Cb -0.27 -1.37 -0.13 0.00 -0.30 0.00 0.00 42.92 40.85 1tug s ASP 4 CO 0.19 -0.26 -0.05 0.59 -0.17 0.00 0.00 175.17 175.47 1tug n ASN 5 N 3.40 2.31 0.00 -0.34 5.03 -1.26 -5.04 115.26 119.36 1tug n ASN 5 Ca 0.06 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.47 1tug n ASN 5 Cb 0.34 0.27 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 1tug n ASN 5 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1tug n LYS 6 N -2.73 0.00 -1.72 3.52 5.02 -1.26 -5.19 118.16 115.79 1tug n LYS 6 Ca -0.25 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.02 1tug n LYS 6 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 1tug n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1tug n LEU 7 N 0.00 0.00 -0.66 -0.35 4.77 -1.26 -4.96 117.00 114.54 1tug n LEU 7 Ca 0.00 -0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 55.41 1tug n LEU 7 Cb 0.00 0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1tug n LEU 7 CO 0.00 -0.14 -0.08 1.67 -1.33 0.00 0.00 177.39 177.51 1tug n GLN 8 N -0.10 -1.35 -1.68 3.23 7.27 -1.26 -4.92 117.38 118.58 1tug n GLN 8 Ca -0.01 0.75 -0.42 0.00 0.07 0.00 0.00 57.00 57.39 1tug n GLN 8 Cb 0.11 -4.94 -0.00 0.00 2.41 0.00 0.00 30.24 27.81 1tug n GLN 8 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1tug n VAL 9 N -2.38 2.13 -1.67 1.69 3.14 -1.26 -4.98 118.33 115.00 1tug n VAL 9 Ca -0.09 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.36 1tug n VAL 9 Cb 0.47 -1.47 -0.03 0.00 -1.06 0.00 0.00 33.84 31.75 1tug n VAL 9 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1tug n GLU 10 N 0.45 2.72 0.00 1.45 0.28 -1.26 -4.93 120.64 119.35 1tug n GLU 10 Ca 0.06 0.99 0.00 0.00 -0.16 0.00 0.00 57.16 58.05 1tug n GLU 10 Cb 0.36 -2.91 0.00 0.00 1.43 0.00 0.00 31.44 30.33 1tug n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1tug n ALA 11 N 6.63 1.25 0.00 -1.84 0.00 -1.26 -4.81 120.51 120.47 1tug n ALA 11 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1tug n ALA 11 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1tug n ALA 11 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1tug n ILE 12 N -0.25 0.00 -0.13 0.00 -5.35 -1.26 -5.05 119.36 107.33 1tug n ILE 12 Ca 0.00 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.24 1tug n ILE 12 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 1tug n ILE 12 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1tug n LYS 13 N 1.63 0.58 -4.21 6.28 2.85 -1.26 -4.43 118.16 119.59 1tug n LYS 13 Ca 0.00 0.21 -0.16 0.00 -1.05 0.00 0.00 58.31 57.31 1tug n LYS 13 Cb 0.00 -1.46 -0.14 0.00 -0.65 0.00 0.00 35.03 32.79 1tug n LYS 13 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1tug s ARG 14 N -2.49 0.57 0.00 -1.58 3.52 -1.26 -0.53 118.95 117.18 1tug s ARG 14 Ca -0.36 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1tug s ARG 14 Cb 0.12 -0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.00 1tug s ARG 14 CO 0.50 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 1tug n GLY 15 N 2.54 0.81 3.21 8.12 0.00 -0.66 0.12 105.19 119.32 1tug n GLY 15 Ca -0.15 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.55 1.74 -0.22 2.61 2.01 0.72 -2.82 115.64 116.13 1tug s THR 16 Ca 0.00 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 1tug s THR 16 Cb 0.00 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.06 1tug s THR 16 CO 0.00 0.49 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 1tug s VAL 17 N -0.13 2.49 -0.44 3.82 1.01 -0.64 0.13 120.40 126.65 1tug s VAL 17 Ca -0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1tug s VAL 17 Cb -0.12 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.14 1tug s VAL 17 CO 0.02 0.35 0.32 -0.63 0.00 0.00 0.00 175.10 175.16 1tug s ILE 18 N 1.30 4.79 0.48 2.22 1.01 0.19 -0.68 121.20 130.51 1tug s ILE 18 Ca 0.02 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.60 1tug s ILE 18 Cb -0.15 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1tug s ILE 18 CO -0.08 -0.50 0.46 -0.62 0.00 0.00 0.00 174.94 174.19 1tug s ASP 19 N 2.26 4.95 -1.39 3.58 2.15 0.50 -1.92 116.67 126.79 1tug s ASP 19 Ca 0.03 -0.90 -0.09 0.00 0.43 0.00 0.00 52.55 52.02 1tug s ASP 19 Cb -0.23 -0.14 0.03 0.00 -0.30 0.00 0.00 42.92 42.28 1tug s ASP 19 CO 0.05 -0.90 1.11 1.41 -0.17 0.00 0.00 175.17 176.67 1tug n HIS 20 N -1.73 -2.67 -2.65 -5.34 8.25 -1.25 0.99 115.22 110.81 1tug n HIS 20 Ca 0.04 0.98 -0.41 0.00 -0.26 0.00 0.00 57.72 58.07 1tug n HIS 20 Cb 0.62 -4.76 -0.05 0.00 1.12 0.00 0.00 29.99 26.93 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 -3.33 4.14 0.58 1.59 -1.09 -1.00 -3.39 121.20 118.71 1tug s ILE 21 Ca 0.55 1.90 -0.20 0.00 -2.23 0.00 0.00 60.65 60.67 1tug s ILE 21 Cb -0.25 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.37 1tug s ILE 21 CO 0.76 0.35 1.29 -2.65 -1.23 0.00 0.00 174.94 173.46 1tug n PRO 22 N 2.25 1.42 -1.70 2.79 -0.02 -1.26 -0.47 135.00 138.01 1tug n PRO 22 Ca 0.01 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 1tug n PRO 22 Cb 0.47 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1tug n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tug n ALA 23 N -1.38 1.59 -0.25 3.55 0.00 -1.26 -1.55 120.51 121.21 1tug n ALA 23 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1tug n ALA 23 Cb 0.46 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1tug n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tug n GLN 24 N 1.46 0.00 0.08 0.00 1.13 -1.26 -4.80 117.38 114.00 1tug n GLN 24 Ca 0.08 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1tug n GLN 24 Cb 0.35 -1.99 -0.04 0.00 0.11 0.00 0.00 30.24 28.67 1tug n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1tug h ILE 25 N 0.00 0.82 -0.40 5.09 5.03 -1.63 -3.38 117.51 123.03 1tug h ILE 25 Ca 0.00 -2.30 0.08 0.00 -0.12 0.00 0.00 64.86 62.52 1tug h ILE 25 Cb 0.00 2.32 -0.09 0.00 -3.03 0.00 0.00 36.82 36.02 1tug h ILE 25 CO 0.00 0.47 -0.38 1.23 -0.68 0.00 0.00 178.15 178.79 1tug h GLY 26 N 3.52 -0.39 0.71 5.37 0.00 -1.87 -2.53 103.07 107.88 1tug h GLY 26 Ca -0.08 0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.75 1tug h GLY 26 CO 0.07 -0.20 -0.05 -2.75 0.00 0.00 0.00 176.54 173.61 1tug h PHE 27 N -0.29 -0.11 -1.01 5.60 3.57 -1.95 -2.60 116.94 120.15 1tug h PHE 27 Ca 0.16 0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.91 1tug h PHE 27 Cb 0.56 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 39.26 1tug h PHE 27 CO -0.58 -0.08 0.62 0.87 -2.23 0.00 0.00 178.31 176.91 1tug h LYS 28 N -0.03 0.54 0.00 1.11 1.57 -1.68 0.10 116.57 118.19 1tug h LYS 28 Ca 0.07 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1tug h LYS 28 Cb 0.13 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1tug h LYS 28 CO -0.15 0.36 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.37 1tug h LEU 29 N 0.56 0.00 -0.27 2.94 3.38 -1.08 0.24 115.31 121.08 1tug h LEU 29 Ca 0.62 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.51 1tug h LEU 29 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1tug h LEU 29 CO -0.41 0.66 -0.15 -0.07 0.09 0.00 0.00 178.44 178.55 1tug h LEU 30 N 0.00 0.60 0.04 1.67 3.38 -0.65 -2.55 115.31 117.80 1tug h LEU 30 Ca -0.01 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1tug h LEU 30 Cb 1.20 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1tug h LEU 30 CO 0.09 0.89 -0.02 0.28 0.09 0.00 0.00 178.44 179.76 1tug h SER 31 N 0.32 -0.06 0.26 -0.43 0.02 -0.93 -2.55 113.55 110.17 1tug h SER 31 Ca 0.06 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1tug h SER 31 Cb 0.67 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1tug h SER 31 CO 0.04 -0.04 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.24 1tug h LEU 32 N -0.06 -1.09 -2.16 5.07 4.07 -0.62 -2.50 115.31 118.03 1tug h LEU 32 Ca -0.01 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1tug h LEU 32 Cb 0.05 0.39 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1tug h LEU 32 CO 0.01 -0.50 0.00 0.49 -1.08 0.00 0.00 178.44 177.36 1tug n PHE 33 N -5.47 0.95 -3.88 1.13 3.01 -0.96 -4.94 117.46 107.31 1tug n PHE 33 Ca -0.09 -0.39 -0.35 0.00 1.01 0.00 0.00 57.45 57.64 1tug n PHE 33 Cb 0.37 -0.16 0.02 0.00 -0.01 0.00 0.00 39.48 39.70 1tug n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1tug n LYS 34 N 0.69 -1.30 0.02 -1.08 5.02 -0.94 -4.86 118.16 115.71 1tug n LYS 34 Ca 0.17 0.31 0.13 0.00 -2.02 0.00 0.00 58.31 56.90 1tug n LYS 34 Cb 0.61 -3.70 0.34 0.00 -0.02 0.00 0.00 35.03 32.25 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 -4.51 0.43 0.08 -0.35 4.77 -0.99 -3.73 117.00 112.70 1tug n LEU 35 Ca -0.15 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 1tug n LEU 35 Cb 0.61 -0.30 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1tug n LEU 35 CO 0.72 0.05 0.19 0.71 -1.33 0.00 0.00 177.39 177.73 1tug h THR 36 N 0.00 0.00 0.00 -5.08 1.35 -1.89 -3.41 112.91 103.88 1tug h THR 36 Ca 0.00 -0.74 -0.48 0.00 -0.55 0.00 0.00 66.41 64.64 1tug h THR 36 Cb 0.56 1.28 0.06 0.00 -1.73 0.00 0.00 68.15 68.32 1tug h THR 36 CO 0.00 0.00 1.89 -0.62 -0.25 0.00 0.00 175.52 176.54 1tug n GLU 37 N -2.40 0.95 -3.69 4.72 1.02 -1.24 -4.73 120.64 115.26 1tug n GLU 37 Ca 0.02 -1.31 -0.14 0.00 -0.02 0.00 0.00 57.16 55.70 1tug n GLU 37 Cb 0.49 -2.56 -0.08 0.00 -0.02 0.00 0.00 31.44 29.27 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 5.25 0.03 -2.24 2.62 -1.32 -1.26 -5.02 115.64 113.71 1tug s THR 38 Ca 0.48 -0.27 0.30 0.00 -1.21 0.00 0.00 61.69 60.98 1tug s THR 38 Cb 0.11 -0.71 0.73 0.00 -1.51 0.00 0.00 72.50 71.12 1tug s THR 38 CO 0.13 -0.15 1.99 -0.90 -2.21 0.00 0.00 174.62 173.48 1tug n ASP 39 N 1.46 0.72 -4.85 8.08 3.85 -1.26 -4.90 116.55 119.64 1tug n ASP 39 Ca -0.19 -1.25 -0.29 0.00 -0.71 0.00 0.00 54.79 52.35 1tug n ASP 39 Cb 0.56 -0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.43 1tug n ASP 39 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 1tug s GLN 40 N -2.00 1.78 -0.21 0.11 2.00 -1.26 -5.03 119.66 115.06 1tug s GLN 40 Ca 0.43 0.26 -0.18 0.00 -2.00 0.00 0.00 55.36 53.87 1tug s GLN 40 Cb 0.21 -1.92 -0.03 0.00 0.80 0.00 0.00 33.01 32.07 1tug s GLN 40 CO 0.35 -1.75 0.49 0.50 -0.50 0.00 0.00 175.29 174.38 1tug s ARG 41 N -5.41 4.17 0.02 1.67 3.52 -1.26 -5.00 118.95 116.65 1tug s ARG 41 Ca 0.62 0.35 0.09 0.00 -0.13 0.00 0.00 55.73 56.65 1tug s ARG 41 Cb -0.13 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 1tug s ARG 41 CO 0.51 -0.15 -0.26 0.42 -0.81 0.00 0.00 175.30 175.02 1tug s ILE 42 N 1.64 2.15 -0.00 4.11 1.01 -1.26 -2.51 121.20 126.34 1tug s ILE 42 Ca 0.22 -1.26 0.05 0.00 0.00 0.00 0.00 60.65 59.66 1tug s ILE 42 Cb -0.15 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1tug s ILE 42 CO 0.09 0.45 -0.16 -0.89 0.00 0.00 0.00 174.94 174.43 1tug s THR 43 N -0.73 1.29 -0.01 2.92 2.01 -0.28 -4.99 115.64 115.86 1tug s THR 43 Ca 0.11 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1tug s THR 43 Cb -0.10 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 1tug s THR 43 CO 0.01 0.32 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.57 1tug s ILE 44 N -0.45 0.49 -0.17 1.82 1.09 -1.26 -0.95 121.20 121.77 1tug s ILE 44 Ca 0.06 -0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 1tug s ILE 44 Cb -0.07 -0.42 0.04 0.00 -1.06 0.00 0.00 42.46 40.95 1tug s ILE 44 CO -0.00 0.15 -0.08 -0.83 -0.10 0.00 0.00 174.94 174.07 1tug s GLY 45 N -0.02 1.06 -0.07 6.18 0.00 0.00 -4.97 107.32 109.50 1tug s GLY 45 Ca 0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 44.72 43.78 1tug s GLY 45 CO -0.00 0.81 0.03 1.08 0.00 0.00 0.00 173.10 175.01 1tug s LEU 46 N 1.55 3.73 -1.32 0.66 1.43 -1.26 0.43 118.68 123.90 1tug s LEU 46 Ca 0.01 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1tug s LEU 46 Cb -0.15 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1tug s LEU 46 CO -0.08 0.36 0.92 0.59 0.23 0.00 0.00 176.35 178.37 1tug n ASN 47 N 1.93 -2.96 -4.83 2.29 3.02 -1.25 -4.98 115.26 108.48 1tug n ASN 47 Ca -0.18 -0.71 -0.33 0.00 -0.03 0.00 0.00 54.58 53.33 1tug n ASN 47 Cb 0.54 -4.51 -0.06 0.00 -0.61 0.00 0.00 39.78 35.13 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 -6.80 4.09 -0.69 3.41 1.43 -0.80 -4.77 118.68 114.55 1tug s LEU 48 Ca 0.22 1.46 -0.26 0.00 -1.03 0.00 0.00 54.13 54.52 1tug s LEU 48 Cb -0.10 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 1tug s LEU 48 CO 0.78 -0.20 1.97 -2.16 0.23 0.00 0.00 176.35 176.97 1tug s PRO 49 N -2.81 2.49 0.42 1.29 0.04 -1.26 -0.60 135.00 134.57 1tug s PRO 49 Ca 0.54 0.43 -0.24 0.00 0.04 0.00 0.00 61.00 61.77 1tug s PRO 49 Cb -0.11 -4.62 -0.11 0.00 0.04 0.00 0.00 34.50 29.69 1tug s PRO 49 CO 0.17 -3.07 0.90 0.45 0.04 0.00 0.00 177.00 175.49 1tug n SER 50 N 13.77 0.72 -0.00 6.66 2.88 0.51 -4.86 113.62 133.31 1tug n SER 50 Ca 0.29 1.00 -0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1tug n SER 50 Cb 0.50 -1.29 -0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 1.34 -0.13 0.00 0.46 0.00 -1.26 -3.72 105.19 101.87 1tug n GLY 51 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1tug n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tug n GLU 52 N -2.20 0.00 -5.09 1.61 0.00 -1.26 -5.04 120.64 108.65 1tug n GLU 52 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1tug n GLU 52 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.29 1tug n GLU 52 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1tug s MET 53 N 0.25 2.49 0.00 5.31 -1.94 -1.24 -5.04 119.30 119.12 1tug s MET 53 Ca 0.00 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 1tug s MET 53 Cb 0.00 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.59 1tug s MET 53 CO 0.00 0.51 0.00 0.41 -0.01 0.00 0.00 175.02 175.93 1tug n GLY 54 N 2.62 -1.30 3.71 -0.03 0.00 -1.26 -4.81 105.19 104.12 1tug n GLY 54 Ca -0.17 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.11 2.56 -0.03 1.61 1.70 -1.25 0.19 118.95 123.62 1tug s ARG 55 Ca 0.00 -1.11 -0.22 0.00 -0.47 0.00 0.00 55.73 53.93 1tug s ARG 55 Cb 0.00 -2.41 0.05 0.00 -0.57 0.00 0.00 34.95 32.01 1tug s ARG 55 CO 0.00 0.44 0.49 -1.59 -1.08 0.00 0.00 175.30 173.55 1tug s LYS 56 N -3.23 0.85 0.46 3.89 0.00 0.23 -4.02 119.74 117.93 1tug s LYS 56 Ca 0.30 0.03 -0.03 0.00 0.00 0.00 0.00 55.97 56.26 1tug s LYS 56 Cb -0.09 0.39 -0.03 0.00 0.00 0.00 0.00 37.83 38.11 1tug s LYS 56 CO 0.21 -0.25 0.73 -0.51 0.00 0.00 0.00 175.35 175.52 1tug s ASP 57 N -1.25 6.14 -0.09 0.03 1.01 0.38 -1.90 116.67 120.99 1tug s ASP 57 Ca -0.12 0.71 -0.12 0.00 0.71 0.00 0.00 52.55 53.73 1tug s ASP 57 Cb -0.03 -2.05 0.03 0.00 1.01 0.00 0.00 42.92 41.89 1tug s ASP 57 CO 0.07 -0.58 0.31 -0.22 0.21 0.00 0.00 175.17 174.96 1tug s LEU 58 N -4.65 0.83 -0.03 1.23 2.96 0.17 -2.37 118.68 116.82 1tug s LEU 58 Ca 0.46 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1tug s LEU 58 Cb -0.10 1.12 0.01 0.00 0.50 0.00 0.00 46.19 47.72 1tug s LEU 58 CO 0.42 -0.21 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.53 1tug s ILE 59 N -0.27 0.78 -0.16 6.68 1.01 -0.81 -0.82 121.20 127.62 1tug s ILE 59 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1tug s ILE 59 Cb -0.03 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.75 1tug s ILE 59 CO 0.01 0.25 -0.15 -0.54 0.00 0.00 0.00 174.94 174.52 1tug s LYS 60 N 0.36 2.38 -0.31 2.79 1.02 -0.12 0.54 119.74 126.39 1tug s LYS 60 Ca -0.06 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.36 1tug s LYS 60 Cb -0.10 -2.19 0.08 0.00 -0.52 0.00 0.00 37.83 35.10 1tug s LYS 60 CO 0.01 -0.24 -0.01 0.42 -0.92 0.00 0.00 175.35 174.60 1tug s ILE 61 N 1.45 2.23 0.23 2.17 1.01 0.36 -1.12 121.20 127.54 1tug s ILE 61 Ca 0.05 -2.06 -0.30 0.00 0.00 0.00 0.00 60.65 58.33 1tug s ILE 61 Cb -0.13 -2.52 -0.15 0.00 0.01 0.00 0.00 42.46 39.67 1tug s ILE 61 CO -0.11 -0.37 1.09 1.21 0.00 0.00 0.00 174.94 176.76 1tug n GLU 62 N 4.32 1.29 -3.53 2.79 4.07 -1.04 -0.20 120.64 128.33 1tug n GLU 62 Ca -0.03 0.46 -0.25 0.00 -0.06 0.00 0.00 57.16 57.27 1tug n GLU 62 Cb 0.42 -1.89 -0.05 0.00 -0.06 0.00 0.00 31.44 29.86 1tug n GLU 62 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1tug n ASN 63 N 1.65 -1.36 -3.84 4.31 5.03 0.31 -4.68 115.26 116.68 1tug n ASN 63 Ca 0.12 -0.58 -0.25 0.00 0.87 0.00 0.00 54.58 54.74 1tug n ASN 63 Cb 0.29 -1.23 -0.17 0.00 -1.02 0.00 0.00 39.78 37.65 1tug n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1tug s THR 64 N -2.57 0.71 0.17 3.41 2.01 -1.18 -4.91 115.64 113.29 1tug s THR 64 Ca 0.49 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.48 1tug s THR 64 Cb -0.29 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1tug s THR 64 CO 0.60 0.32 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.45 1tug s PHE 65 N 1.84 2.77 0.10 4.92 2.99 -1.26 -2.21 117.98 127.13 1tug s PHE 65 Ca 0.05 -0.16 0.07 0.00 0.00 0.00 0.00 56.93 56.88 1tug s PHE 65 Cb -0.12 -1.35 -0.03 0.00 0.00 0.00 0.00 43.02 41.51 1tug s PHE 65 CO -0.07 0.51 -0.17 -0.51 -0.00 0.00 0.00 175.22 174.99 1tug s LEU 66 N -2.89 2.33 0.80 -0.37 1.43 -1.26 -5.07 118.68 113.66 1tug s LEU 66 Ca 0.26 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1tug s LEU 66 Cb -0.09 -0.68 0.08 0.00 0.03 0.00 0.00 46.19 45.53 1tug s LEU 66 CO 0.17 -0.04 1.18 -0.94 0.23 0.00 0.00 176.35 176.95 1tug s SER 67 N -2.05 3.71 0.49 2.29 1.04 -1.26 -4.81 113.70 113.11 1tug s SER 67 Ca 0.05 2.27 0.14 0.00 0.48 0.00 0.00 55.95 58.90 1tug s SER 67 Cb -0.08 -2.58 1.17 0.00 0.10 0.00 0.00 66.02 64.63 1tug s SER 67 CO 0.04 -2.59 2.11 -0.33 0.98 0.00 0.00 173.24 173.45 1tug h GLU 68 N -0.96 0.15 0.05 4.02 5.08 -2.01 -2.04 114.58 118.88 1tug h GLU 68 Ca -0.46 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 57.66 1tug h GLU 68 Cb 1.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1tug h GLU 68 CO 0.47 0.10 -1.06 -0.44 -1.00 0.00 0.00 179.01 177.08 1tug h ASP 69 N 0.15 0.29 0.93 1.42 3.32 -1.98 -0.99 116.42 119.57 1tug h ASP 69 Ca 0.07 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 1tug h ASP 69 Cb 0.08 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.55 1tug h ASP 69 CO -0.01 1.16 -0.46 1.56 -1.72 0.00 0.00 179.24 179.78 1tug h GLN 70 N 0.08 -1.22 -0.95 3.56 4.20 -1.77 -1.46 115.11 117.55 1tug h GLN 70 Ca -0.08 0.08 0.28 0.00 0.06 0.00 0.00 58.65 58.99 1tug h GLN 70 Cb 1.76 0.28 -0.17 0.00 0.30 0.00 0.00 27.48 29.64 1tug h GLN 70 CO 0.16 -0.81 0.13 0.28 -0.67 0.00 0.00 178.83 177.93 1tug h VAL 71 N -1.26 0.10 -0.05 -0.54 2.07 -1.43 0.14 116.25 115.28 1tug h VAL 71 Ca -0.13 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 1tug h VAL 71 Cb 0.97 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1tug h VAL 71 CO 0.20 0.01 -0.51 0.44 0.02 0.00 0.00 177.57 177.73 1tug h ASP 72 N 0.06 0.15 -0.99 0.57 5.19 -0.98 -2.79 116.42 117.62 1tug h ASP 72 Ca 0.61 -0.07 0.22 0.00 -0.62 0.00 0.00 57.03 57.17 1tug h ASP 72 Cb 1.30 -0.04 -0.09 0.00 0.18 0.00 0.00 39.33 40.68 1tug h ASP 72 CO -0.83 0.64 0.63 1.56 -3.12 0.00 0.00 179.24 178.11 1tug h GLN 73 N 0.11 0.50 0.00 3.56 1.08 0.39 0.83 115.11 121.58 1tug h GLN 73 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1tug h GLN 73 Cb 0.94 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1tug h GLN 73 CO 0.07 0.33 0.00 1.28 -0.95 0.00 0.00 178.83 179.56 1tug n LEU 74 N -4.64 0.58 0.15 1.46 4.77 -1.05 -3.82 117.00 114.45 1tug n LEU 74 Ca 0.23 0.63 0.10 0.00 -0.03 0.00 0.00 56.01 56.94 1tug n LEU 74 Cb 0.73 -0.54 0.53 0.00 -2.33 0.00 0.00 43.42 41.81 1tug n LEU 74 CO 0.25 -0.48 0.80 0.00 -1.33 0.00 0.00 177.39 176.64 1tug n ALA 75 N -1.73 1.01 0.08 -1.18 0.00 0.29 -1.28 120.51 117.69 1tug n ALA 75 Ca 0.03 0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.72 1tug n ALA 75 Cb 0.24 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1tug n ALA 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1tug n LEU 76 N -2.19 0.85 -0.02 0.00 -0.00 -1.25 -3.84 117.00 110.56 1tug n LEU 76 Ca -0.01 0.35 -0.01 0.00 -0.00 0.00 0.00 56.01 56.33 1tug n LEU 76 Cb 0.05 -0.01 -0.05 0.00 -0.00 0.00 0.00 43.42 43.41 1tug n LEU 76 CO 0.09 -0.07 -0.66 -1.22 -0.00 0.00 0.00 177.39 175.52 1tug n TYR 77 N -2.75 0.00 -3.02 1.96 4.01 -0.85 -4.90 117.16 111.61 1tug n TYR 77 Ca -0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.56 1tug n TYR 77 Cb 0.65 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 39.40 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 -2.06 0.25 0.10 -0.72 0.00 -0.40 -4.75 120.51 112.92 1tug n ALA 78 Ca -0.07 -2.04 -0.04 0.00 0.00 0.00 0.00 53.44 51.29 1tug n ALA 78 Cb 0.52 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.86 1tug n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tug h PRO 79 N 4.97 0.03 0.00 0.00 0.13 -1.68 -3.08 132.00 132.36 1tug h PRO 79 Ca 0.10 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 1tug h PRO 79 Cb 1.01 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1tug h PRO 79 CO 0.22 0.81 -0.32 1.96 -0.23 0.00 0.00 178.00 180.44 1tug h GLN 80 N 0.02 0.00 -6.45 0.86 1.08 -1.89 -3.37 115.11 105.36 1tug h GLN 80 Ca -0.01 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.63 1tug h GLN 80 Cb 1.40 0.00 0.20 0.00 -0.05 0.00 0.00 27.48 29.03 1tug h GLN 80 CO 0.11 0.32 -0.86 0.00 -0.95 0.00 0.00 178.83 177.44 1tug n ALA 81 N -2.19 -2.83 -2.96 3.87 0.00 -1.17 -4.92 120.51 110.31 1tug n ALA 81 Ca 0.02 -0.39 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 1tug n ALA 81 Cb 0.61 -1.62 -0.15 0.00 0.00 0.00 0.00 19.45 18.29 1tug n ALA 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1tug s THR 82 N -2.04 0.45 -0.17 0.00 -4.23 0.28 -4.24 115.64 105.69 1tug s THR 82 Ca 0.57 -0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1tug s THR 82 Cb -0.30 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1tug s THR 82 CO 0.67 0.15 0.04 -0.69 -0.54 0.00 0.00 174.62 174.25 1tug s VAL 83 N 0.12 4.65 -0.10 2.29 1.01 -0.74 0.19 120.40 127.81 1tug s VAL 83 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1tug s VAL 83 Cb -0.05 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 1tug s VAL 83 CO -0.00 0.49 -0.24 0.20 0.00 0.00 0.00 175.10 175.55 1tug s ASN 84 N 0.19 3.11 -0.72 3.32 0.01 0.14 -0.68 114.94 120.32 1tug s ASN 84 Ca 0.03 -0.55 0.01 0.00 -0.71 0.00 0.00 52.86 51.64 1tug s ASN 84 Cb -0.12 -1.41 0.36 0.00 0.41 0.00 0.00 41.25 40.49 1tug s ASN 84 CO 0.01 0.16 1.53 0.54 -1.51 0.00 0.00 177.10 177.83 1tug n ARG 85 N 3.52 3.56 -1.94 -0.60 1.74 -0.33 -1.61 116.66 121.00 1tug n ARG 85 Ca -0.19 -4.27 -0.39 0.00 -0.77 0.00 0.00 57.85 52.23 1tug n ARG 85 Cb 0.53 -2.30 0.01 0.00 -1.02 0.00 0.00 32.46 29.68 1tug n ARG 85 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1tug s ILE 86 N -4.97 2.38 -0.17 0.55 -4.36 -1.13 -4.05 121.20 109.45 1tug s ILE 86 Ca 0.48 0.32 -0.08 0.00 -0.26 0.00 0.00 60.65 61.11 1tug s ILE 86 Cb 0.35 -3.18 0.06 0.00 1.25 0.00 0.00 42.46 40.95 1tug s ILE 86 CO -0.25 0.03 0.39 -0.62 0.24 0.00 0.00 174.94 174.73 1tug s ASP 87 N -0.80 -0.41 -1.31 4.36 3.68 0.05 -1.65 116.67 120.59 1tug s ASP 87 Ca 0.62 0.87 0.00 0.00 2.13 0.00 0.00 52.55 56.18 1tug s ASP 87 Cb -0.39 0.86 0.00 0.00 -1.45 0.00 0.00 42.92 41.94 1tug s ASP 87 CO 0.49 -0.20 0.00 -3.20 0.13 0.00 0.00 175.17 172.39 1tug n ASN 88 N 4.54 -4.57 0.00 -0.34 5.15 0.31 -2.50 115.26 117.85 1tug n ASN 88 Ca -0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1tug n ASN 88 Cb 0.54 -3.70 0.00 0.00 -0.53 0.00 0.00 39.78 36.09 1tug n ASN 88 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1tug n TYR 89 N -3.95 0.00 -5.18 1.20 4.01 0.04 -5.01 117.16 108.27 1tug n TYR 89 Ca -0.18 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.26 1tug n TYR 89 Cb 0.63 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.50 1tug n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1tug s GLU 90 N -0.28 2.18 -1.04 -0.72 2.56 -1.04 -4.96 118.70 115.40 1tug s GLU 90 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 54.97 53.89 1tug s GLU 90 Cb 0.00 -1.95 -0.06 0.00 2.00 0.00 0.00 34.13 34.12 1tug s GLU 90 CO 0.00 0.42 1.92 0.08 -0.56 0.00 0.00 175.26 177.12 1tug s VAL 91 N -0.31 3.52 -0.60 3.70 1.01 -1.26 -0.77 120.40 125.69 1tug s VAL 91 Ca 0.02 -0.67 0.25 0.00 0.00 0.00 0.00 61.98 61.57 1tug s VAL 91 Cb -0.11 -4.32 0.18 0.00 0.00 0.00 0.00 36.38 32.12 1tug s VAL 91 CO 0.01 -1.02 1.51 -0.37 0.00 0.00 0.00 175.10 175.23 1tug h VAL 92 N 6.71 0.00 -2.76 2.92 -1.51 -1.90 -3.46 116.25 116.26 1tug h VAL 92 Ca 0.16 -0.62 -0.12 0.00 -1.23 0.00 0.00 66.70 64.89 1tug h VAL 92 Cb 0.97 1.41 -0.24 0.00 -2.13 0.00 0.00 31.29 31.31 1tug h VAL 92 CO 1.23 0.00 -0.24 -0.83 -1.23 0.00 0.00 177.57 176.50 1tug s GLY 93 N -3.79 -0.30 -0.27 5.19 0.00 -1.26 -4.99 107.32 101.90 1tug s GLY 93 Ca 0.07 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.92 1tug s GLY 93 CO 0.67 0.97 0.03 0.54 0.00 0.00 0.00 173.10 175.32 1tug s LYS 94 N 0.18 1.11 0.09 2.90 1.02 -1.26 -1.19 119.74 122.59 1tug s LYS 94 Ca -0.00 -1.06 0.02 0.00 0.02 0.00 0.00 55.97 54.94 1tug s LYS 94 Cb -0.03 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1tug s LYS 94 CO 0.01 -0.80 0.17 -1.12 -0.92 0.00 0.00 175.35 172.68 1tug s SER 95 N 1.48 5.99 0.02 2.83 0.01 0.14 -4.97 113.70 119.20 1tug s SER 95 Ca 0.03 0.12 0.08 0.00 1.31 0.00 0.00 55.95 57.49 1tug s SER 95 Cb -0.18 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 1tug s SER 95 CO -0.14 0.14 -0.22 -0.13 0.41 0.00 0.00 173.24 173.30 1tug s ARG 96 N -2.65 1.63 -0.06 12.44 0.52 -1.26 -1.78 118.95 127.79 1tug s ARG 96 Ca 0.33 -0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 54.32 1tug s ARG 96 Cb -0.12 -1.69 -0.07 0.00 0.52 0.00 0.00 34.95 33.59 1tug s ARG 96 CO 0.26 0.45 1.94 -2.14 0.02 0.00 0.00 175.30 175.83 1tug s PRO 97 N -0.94 3.89 -0.13 3.54 0.02 -1.26 -4.91 135.00 135.20 1tug s PRO 97 Ca 0.09 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 63.42 1tug s PRO 97 Cb -0.09 -4.17 -0.02 0.00 0.02 0.00 0.00 34.50 30.23 1tug s PRO 97 CO 0.01 -1.23 -0.07 0.45 -0.33 0.00 0.00 177.00 175.83 1tug s SER 98 N 5.11 4.54 -0.35 2.53 0.15 -1.26 -4.76 113.70 119.66 1tug s SER 98 Ca 0.87 -0.16 -0.34 0.00 0.70 0.00 0.00 55.95 57.02 1tug s SER 98 Cb -0.37 -1.60 -0.15 0.00 -1.71 0.00 0.00 66.02 62.19 1tug s SER 98 CO 0.37 0.21 1.15 -0.11 1.20 0.00 0.00 173.24 176.07 1tug n LEU 99 N 3.25 0.84 -4.94 3.45 7.94 -1.26 -4.67 117.00 121.60 1tug n LEU 99 Ca -0.18 0.87 -0.29 0.00 -1.11 0.00 0.00 56.01 55.31 1tug n LEU 99 Cb 0.53 -0.65 0.18 0.00 0.53 0.00 0.00 43.42 44.01 1tug n LEU 99 CO 0.31 -0.66 0.84 -2.16 -1.11 0.00 0.00 177.39 174.61 1tug s PRO 100 N 2.09 0.73 -0.01 1.96 0.04 -1.26 -5.01 135.00 133.53 1tug s PRO 100 Ca 0.77 -0.51 -0.21 0.00 0.04 0.00 0.00 61.00 61.09 1tug s PRO 100 Cb -1.09 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 31.43 1tug s PRO 100 CO 0.59 -2.32 0.87 0.93 0.04 0.00 0.00 177.00 177.12 1tug h GLU 101 N -1.52 -0.65 -4.71 4.56 4.39 -1.92 -3.44 114.58 111.30 1tug h GLU 101 Ca -0.43 0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.06 1tug h GLU 101 Cb 1.24 0.15 -0.17 0.00 -0.10 0.00 0.00 28.75 29.87 1tug h GLU 101 CO 0.38 -0.39 -0.71 -0.98 -1.16 0.00 0.00 179.01 176.14 1tug s ARG 102 N -3.95 0.78 -0.26 2.33 1.70 -1.26 -2.34 118.95 115.95 1tug s ARG 102 Ca -0.11 -1.18 0.02 0.00 -0.47 0.00 0.00 55.73 53.99 1tug s ARG 102 Cb 0.01 -0.30 0.07 0.00 -0.57 0.00 0.00 34.95 34.16 1tug s ARG 102 CO 0.35 0.02 -0.07 0.42 -1.08 0.00 0.00 175.30 174.94 1tug s ILE 103 N -2.90 1.90 -0.12 4.99 1.01 -0.46 -4.97 121.20 120.64 1tug s ILE 103 Ca 0.06 -1.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.06 1tug s ILE 103 Cb 0.00 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1tug s ILE 103 CO -0.03 -0.13 0.23 -1.81 0.00 0.00 0.00 174.94 173.20 1tug s ASP 104 N 1.21 6.45 0.00 3.58 1.01 -1.26 -1.46 116.67 126.20 1tug s ASP 104 Ca -0.05 0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.74 1tug s ASP 104 Cb -0.19 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1tug s ASP 104 CO -0.06 0.27 0.00 -3.20 0.21 0.00 0.00 175.17 172.38 1tug n ASN 105 N 2.66 -4.67 0.00 0.27 4.05 -0.64 -4.80 115.26 112.12 1tug n ASN 105 Ca -0.16 0.42 0.00 0.00 0.45 0.00 0.00 54.58 55.30 1tug n ASN 105 Cb 0.53 -1.03 0.00 0.00 1.23 0.00 0.00 39.78 40.51 1tug n ASN 105 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1tug n VAL 106 N 1.45 0.00 -3.62 3.44 0.24 -1.26 -4.99 118.33 113.59 1tug n VAL 106 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1tug n VAL 106 Cb 0.19 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.51 1tug n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1tug s LEU 107 N -0.09 4.24 -0.03 1.34 1.43 -1.26 -4.99 118.68 119.32 1tug s LEU 107 Ca 0.00 0.65 0.08 0.00 -1.03 0.00 0.00 54.13 53.82 1tug s LEU 107 Cb 0.00 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 1tug s LEU 107 CO 0.00 0.02 -0.25 -0.69 0.23 0.00 0.00 176.35 175.66 1tug s VAL 108 N -1.70 2.11 -0.12 -1.59 1.01 -1.26 -4.77 120.40 114.07 1tug s VAL 108 Ca 0.42 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 1tug s VAL 108 Cb -0.12 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1tug s VAL 108 CO 0.24 0.58 1.27 0.00 0.00 0.00 0.00 175.10 177.19 1tug h PRO 110 N 8.03 0.00 -6.17 0.00 0.11 -1.92 -3.42 132.00 128.64 1tug h PRO 110 Ca -0.30 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.25 1tug h PRO 110 Cb 1.13 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1tug h PRO 110 CO 0.94 0.00 0.49 1.21 -0.21 0.00 0.00 178.00 180.43 1tug s ASN 111 N -4.45 7.16 0.00 -2.05 2.47 -1.26 -4.91 114.94 111.89 1tug s ASN 111 Ca -0.01 1.42 0.26 0.00 0.42 0.00 0.00 52.86 54.95 1tug s ASN 111 Cb 0.08 -2.52 0.74 0.00 -1.45 0.00 0.00 41.25 38.11 1tug s ASN 111 CO 0.31 -0.41 1.58 -1.54 -3.72 0.00 0.00 177.10 173.32 1tug n SER 112 N 4.96 0.37 -1.01 -4.21 3.41 -1.26 -2.81 113.62 113.07 1tug n SER 112 Ca 0.07 -0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 1tug n SER 112 Cb 0.49 0.02 0.14 0.00 -0.26 0.00 0.00 64.21 64.60 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 3.10 -4.77 4.04 5.15 -1.26 -4.95 115.26 115.12 1tug n ASN 113 Ca 0.06 -1.99 -0.38 0.00 -0.60 0.00 0.00 54.58 51.67 1tug n ASN 113 Cb 0.33 -0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 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 1.99 0.00 -0.12 0.00 6.09 -1.92 -3.24 117.51 120.31 1tug h ILE 115 Ca -0.50 -0.56 -0.01 0.00 -1.37 0.00 0.00 64.86 62.42 1tug h ILE 115 Cb 1.26 1.51 -0.01 0.00 0.47 0.00 0.00 36.82 40.05 1tug h ILE 115 CO 0.60 0.00 0.01 0.77 -3.07 0.00 0.00 178.15 176.46 1tug h SER 116 N 0.00 0.15 0.24 2.19 4.64 -1.92 -3.00 113.55 115.85 1tug h SER 116 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1tug h SER 116 Cb 0.71 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1tug h SER 116 CO 0.00 0.18 -0.12 0.45 -0.87 0.00 0.00 176.83 176.47 1tug h HIS 117 N 0.17 -0.30 0.00 4.77 3.86 -1.92 -3.14 115.15 118.59 1tug h HIS 117 Ca 0.04 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1tug h HIS 117 Cb 0.11 0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1tug h HIS 117 CO 0.00 -0.19 0.00 0.00 0.86 0.00 0.00 177.93 178.60 1tug n ALA 118 N -2.23 2.13 -2.34 2.45 0.00 -1.13 -4.94 120.51 114.44 1tug n ALA 118 Ca -0.09 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 1tug n ALA 118 Cb 0.15 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.94 1.33 0.00 0.00 0.41 -1.19 -5.01 118.70 111.30 1tug s GLU 119 Ca 0.13 -1.61 -0.03 0.00 -0.41 0.00 0.00 54.97 53.06 1tug s GLU 119 Cb 0.16 -1.03 -0.12 0.00 -1.78 0.00 0.00 34.13 31.36 1tug s GLU 119 CO 0.43 0.13 1.99 -0.35 -0.49 0.00 0.00 175.26 176.98 1tug n PRO 120 N -0.39 0.97 -4.22 0.39 -0.04 -1.26 -4.82 135.00 125.64 1tug n PRO 120 Ca -0.08 -0.46 -0.24 0.00 -0.04 0.00 0.00 63.50 62.68 1tug n PRO 120 Cb 0.61 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.85 3.79 0.15 0.52 -7.23 -1.26 -5.11 120.40 113.11 1tug s VAL 121 Ca 0.31 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 58.66 1tug s VAL 121 Cb 0.15 -2.98 -0.08 0.00 0.56 0.00 0.00 36.38 34.03 1tug s VAL 121 CO 0.00 -0.26 0.71 -0.55 -0.31 0.00 0.00 175.10 174.69 1tug s SER 122 N -3.40 7.26 0.64 4.85 0.15 -1.26 -5.03 113.70 116.90 1tug s SER 122 Ca 0.30 1.51 -0.15 0.00 0.70 0.00 0.00 55.95 58.31 1tug s SER 122 Cb -0.08 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1tug s SER 122 CO 0.21 0.21 1.08 -0.94 1.20 0.00 0.00 173.24 174.99 1tug s SER 123 N -1.20 5.43 -0.15 5.45 1.04 -1.26 -4.83 113.70 118.16 1tug s SER 123 Ca 0.35 1.87 -0.06 0.00 0.48 0.00 0.00 55.95 58.59 1tug s SER 123 Cb -0.21 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.44 1tug s SER 123 CO 0.24 -1.41 0.33 -0.55 0.98 0.00 0.00 173.24 172.83 1tug s SER 124 N -2.82 -0.06 -0.04 7.02 0.15 -1.26 -1.62 113.70 115.06 1tug s SER 124 Ca 0.64 0.76 0.06 0.00 0.70 0.00 0.00 55.95 58.11 1tug s SER 124 Cb -0.18 0.88 -0.02 0.00 -1.71 0.00 0.00 66.02 64.99 1tug s SER 124 CO 0.41 -0.22 -0.21 -0.36 1.20 0.00 0.00 173.24 174.07 1tug s PHE 125 N 2.16 2.51 0.05 3.44 0.40 -0.53 -1.52 117.98 124.49 1tug s PHE 125 Ca -0.03 -0.36 -0.22 0.00 -0.60 0.00 0.00 56.93 55.72 1tug s PHE 125 Cb -0.11 -1.58 -0.06 0.00 0.51 0.00 0.00 43.02 41.78 1tug s PHE 125 CO -0.11 0.03 0.67 0.00 0.70 0.00 0.00 175.22 176.52 1tug s ALA 126 N -0.58 3.46 -0.27 5.36 0.00 0.38 -1.36 121.76 128.75 1tug s ALA 126 Ca 0.08 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 1tug s ALA 126 Cb -0.11 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1tug s ALA 126 CO 0.00 0.20 0.25 0.08 0.00 0.00 0.00 175.76 176.29 1tug s VAL 127 N -0.46 5.27 -0.16 0.00 1.01 -0.99 0.19 120.40 125.26 1tug s VAL 127 Ca 0.34 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1tug s VAL 127 Cb -0.20 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.66 1tug s VAL 127 CO 0.21 0.23 0.18 -0.60 0.00 0.00 0.00 175.10 175.12 1tug s ARG 128 N 1.74 0.11 -0.09 2.72 3.52 0.32 -4.91 118.95 122.37 1tug s ARG 128 Ca 0.10 0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.68 1tug s ARG 128 Cb -0.16 -1.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.20 1tug s ARG 128 CO 0.10 -0.54 1.32 -1.59 -0.81 0.00 0.00 175.30 173.78 1tug s LYS 129 N 2.28 4.27 -0.99 5.12 -2.85 -1.26 0.19 119.74 126.49 1tug s LYS 129 Ca 0.05 1.79 -0.01 0.00 -1.00 0.00 0.00 55.97 56.80 1tug s LYS 129 Cb -0.14 -3.70 0.32 0.00 -2.06 0.00 0.00 37.83 32.25 1tug s LYS 129 CO -0.09 -0.63 1.79 0.54 0.10 0.00 0.00 175.35 177.06 1tug n ARG 130 N 6.06 5.15 -3.35 1.78 1.74 -1.26 -4.81 116.66 121.96 1tug n ARG 130 Ca 0.13 -4.60 -0.27 0.00 -0.77 0.00 0.00 57.85 52.34 1tug n ARG 130 Cb 0.45 -2.44 0.02 0.00 -1.02 0.00 0.00 32.46 29.47 1tug n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tug n ALA 131 N -0.10 -2.56 -1.51 7.54 0.00 -1.26 -2.37 120.51 120.25 1tug n ALA 131 Ca 0.47 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 54.27 1tug n ALA 131 Cb 0.27 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 1tug n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tug n ASN 132 N -0.61 -3.95 -0.12 0.00 5.15 -1.26 -4.90 115.26 109.56 1tug n ASN 132 Ca -0.06 0.18 0.06 0.00 -0.60 0.00 0.00 54.58 54.16 1tug n ASN 132 Cb 0.62 -2.54 0.09 0.00 -0.53 0.00 0.00 39.78 37.42 1tug n ASN 132 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1tug n ASP 133 N 0.36 1.84 -4.34 1.20 4.64 -1.00 -5.06 116.55 114.18 1tug n ASP 133 Ca -0.10 -2.67 -0.54 0.00 -1.38 0.00 0.00 54.79 50.10 1tug n ASP 133 Cb 0.39 -0.31 -0.11 0.00 -1.04 0.00 0.00 41.12 40.04 1tug n ASP 133 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1tug n ILE 134 N -1.01 0.03 -3.45 5.18 -0.00 -1.26 -4.14 119.36 114.70 1tug n ILE 134 Ca 0.10 -0.07 -0.38 0.00 -0.00 0.00 0.00 62.75 62.40 1tug n ILE 134 Cb 0.58 -0.77 -0.06 0.00 -0.00 0.00 0.00 39.64 39.39 1tug n ILE 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1tug s ALA 135 N 7.00 3.64 -0.17 -1.39 0.00 0.50 -2.20 121.76 129.14 1tug s ALA 135 Ca 1.21 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1tug s ALA 135 Cb -1.30 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 1tug s ALA 135 CO 0.58 0.34 -0.11 -0.51 0.00 0.00 0.00 175.76 176.07 1tug s LEU 136 N -0.59 2.69 -0.14 0.00 1.43 0.64 0.12 118.68 122.83 1tug s LEU 136 Ca 0.24 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1tug s LEU 136 Cb -0.16 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1tug s LEU 136 CO 0.12 0.08 -0.08 -0.75 0.23 0.00 0.00 176.35 175.96 1tug s LYS 137 N 0.84 3.48 -0.01 1.70 2.20 0.49 -0.91 119.74 127.53 1tug s LYS 137 Ca -0.04 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 1tug s LYS 137 Cb -0.15 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 1tug s LYS 137 CO 0.00 0.26 1.04 0.00 -0.36 0.00 0.00 175.35 176.30 1tug h LYS 139 N 6.89 0.88 0.00 0.00 3.64 -1.62 -1.17 116.57 125.20 1tug h LYS 139 Ca -0.39 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1tug h LYS 139 Cb 1.20 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1tug h LYS 139 CO 0.79 0.58 0.00 0.66 -2.27 0.00 0.00 179.45 179.21 1tug n TYR 140 N -4.68 0.00 0.32 1.91 4.01 -1.26 -4.47 117.16 112.99 1tug n TYR 140 Ca 0.20 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.98 1tug n TYR 140 Cb 0.43 -0.09 0.18 0.00 -0.31 0.00 0.00 39.34 39.55 1tug n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tug n GLU 142 N -1.38 -1.96 -1.78 0.00 1.02 -0.44 -4.97 120.64 111.14 1tug n GLU 142 Ca 0.03 0.52 -0.31 0.00 -0.02 0.00 0.00 57.16 57.38 1tug n GLU 142 Cb 0.07 -4.90 0.03 0.00 -0.02 0.00 0.00 31.44 26.62 1tug n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1tug s LYS 143 N -2.01 3.20 -0.04 3.49 -0.14 -1.26 -4.67 119.74 118.31 1tug s LYS 143 Ca 0.00 0.97 0.06 0.00 -1.36 0.00 0.00 55.97 55.64 1tug s LYS 143 Cb 0.00 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 34.11 1tug s LYS 143 CO 0.00 -0.89 -0.24 -2.00 -0.76 0.00 0.00 175.35 171.47 1tug s GLU 144 N -4.80 2.38 0.11 1.68 2.12 -1.26 -1.27 118.70 117.66 1tug s GLU 144 Ca 0.59 -0.88 0.05 0.00 0.36 0.00 0.00 54.97 55.08 1tug s GLU 144 Cb -0.14 -2.15 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 1tug s GLU 144 CO 0.49 0.49 -0.12 -0.06 -0.54 0.00 0.00 175.26 175.52 1tug s PHE 145 N -0.42 1.23 0.45 5.30 0.40 -0.09 -4.95 117.98 119.89 1tug s PHE 145 Ca 0.04 -0.59 -0.23 0.00 -0.60 0.00 0.00 56.93 55.55 1tug s PHE 145 Cb -0.12 -0.66 -0.08 0.00 0.51 0.00 0.00 43.02 42.68 1tug s PHE 145 CO 0.01 0.07 1.17 0.45 0.70 0.00 0.00 175.22 177.62 1tug s SER 146 N -2.38 6.23 0.46 1.36 0.15 -1.26 -0.26 113.70 118.00 1tug s SER 146 Ca 0.06 2.32 0.12 0.00 0.70 0.00 0.00 55.95 59.15 1tug s SER 146 Cb -0.05 -2.61 1.06 0.00 -1.71 0.00 0.00 66.02 62.72 1tug s SER 146 CO 0.02 -0.88 2.09 1.12 1.20 0.00 0.00 173.24 176.79 1tug h HIS 147 N 2.15 0.24 -0.63 3.44 2.07 -1.60 -1.75 115.15 119.07 1tug h HIS 147 Ca -0.49 0.00 0.12 0.00 -2.85 0.00 0.00 60.37 57.15 1tug h HIS 147 Cb 1.25 -0.08 -0.09 0.00 2.57 0.00 0.00 27.41 31.06 1tug h HIS 147 CO 0.54 0.17 0.16 -0.91 -3.07 0.00 0.00 177.93 174.81 1tug h ASN 148 N 0.26 0.05 -0.07 3.10 2.35 -1.89 -1.08 115.58 118.30 1tug h ASN 148 Ca 0.07 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1tug h ASN 148 Cb -0.00 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1tug h ASN 148 CO -0.01 0.02 0.03 0.58 -1.65 0.00 0.00 177.43 176.41 1tug h VAL 149 N 0.29 1.10 0.00 2.81 2.07 -1.70 -3.15 116.25 117.67 1tug h VAL 149 Ca 0.34 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1tug h VAL 149 Cb 0.50 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1tug h VAL 149 CO -0.41 0.08 0.00 0.58 0.02 0.00 0.00 177.57 177.85 1tug h VAL 150 N -0.00 0.00 -2.43 2.57 2.07 -1.17 -3.29 116.25 113.99 1tug h VAL 150 Ca 0.02 -0.32 -0.80 0.00 0.82 0.00 0.00 66.70 66.43 1tug h VAL 150 Cb 0.11 1.13 -0.25 0.00 -1.52 0.00 0.00 31.29 30.76 1tug h VAL 150 CO -0.00 0.00 1.13 0.18 0.02 0.00 0.00 177.57 178.89 1tug n LEU 151 N -2.34 6.77 -1.25 2.57 4.32 -0.45 -3.80 117.00 122.82 1tug n LEU 151 Ca 0.03 -5.15 -0.00 0.00 -0.02 0.00 0.00 56.01 50.86 1tug n LEU 151 Cb 0.28 -1.29 -0.01 0.00 -1.62 0.00 0.00 43.42 40.78 1tug n LEU 151 CO 0.23 1.75 0.18 0.00 -1.22 0.00 0.00 177.39 178.32 1tug n ALA 152 N 1.42 2.84 0.00 -1.18 0.00 -1.24 -4.94 120.51 117.40 1tug n ALA 152 Ca 0.35 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1tug n ALA 152 Cb 0.31 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1tug n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79