#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug7 n SER 2 N 0.00 1.08 0.10 1.61 2.88 -1.26 -5.03 113.62 113.00 1ug7 n SER 2 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1ug7 n SER 2 Cb 0.00 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1ug7 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ug7 n SER 3 N -3.55 0.36 -3.99 -3.46 2.88 -1.26 -5.15 113.62 99.45 1ug7 n SER 3 Ca -0.02 0.32 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1ug7 n SER 3 Cb 0.13 0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 63.61 1ug7 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ug7 s GLY 4 N -4.60 0.82 -0.22 0.46 0.00 -1.26 -5.17 107.32 97.36 1ug7 s GLY 4 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 44.72 43.50 1ug7 s GLY 4 CO 0.00 -0.84 0.51 -1.35 0.00 0.00 0.00 173.10 171.42 1ug7 s SER 5 N -3.07 -0.63 0.48 1.64 1.04 -1.26 -5.06 113.70 106.84 1ug7 s SER 5 Ca 0.27 1.16 -0.12 0.00 0.48 0.00 0.00 55.95 57.74 1ug7 s SER 5 Cb 0.01 1.30 -0.06 0.00 0.10 0.00 0.00 66.02 67.36 1ug7 s SER 5 CO 0.11 -0.22 0.88 -0.44 0.98 0.00 0.00 173.24 174.55 1ug7 s SER 6 N 2.02 6.50 2.00 7.02 0.01 -1.26 -4.83 113.70 125.16 1ug7 s SER 6 Ca -0.07 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.51 1ug7 s SER 6 Cb -0.09 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1ug7 s SER 6 CO -0.15 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1ug7 n GLY 7 N -1.66 4.10 3.02 3.44 0.00 -1.26 -4.79 105.19 108.05 1ug7 n GLY 7 Ca 0.04 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1ug7 n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ug7 n MET 8 N 13.99 0.46 -4.33 1.61 3.85 -1.26 -5.15 117.12 126.28 1ug7 n MET 8 Ca 0.00 -3.13 -0.34 0.00 -1.00 0.00 0.00 57.70 53.22 1ug7 n MET 8 Cb 0.00 2.25 -0.10 0.00 -1.05 0.00 0.00 33.22 34.32 1ug7 n MET 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1ug7 s SER 9 N -3.22 5.17 0.28 3.17 1.04 -1.26 -5.00 113.70 113.88 1ug7 s SER 9 Ca 0.31 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1ug7 s SER 9 Cb 0.01 -1.62 0.66 0.00 0.10 0.00 0.00 66.02 65.18 1ug7 s SER 9 CO 0.22 0.29 1.64 1.05 0.98 0.00 0.00 173.24 177.42 1ug7 h GLU 10 N 5.78 0.18 -0.84 4.02 4.11 -2.00 0.97 114.58 126.80 1ug7 h GLU 10 Ca -0.44 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.09 1ug7 h GLU 10 Cb 1.19 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 1ug7 h GLU 10 CO 0.59 0.12 0.48 -0.39 0.07 0.00 0.00 179.01 179.88 1ug7 h VAL 11 N 0.19 0.89 -0.06 -1.06 -1.51 -1.98 0.38 116.25 113.09 1ug7 h VAL 11 Ca 0.53 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 65.71 1ug7 h VAL 11 Cb 1.04 0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1ug7 h VAL 11 CO -0.66 0.14 -0.03 0.74 -1.23 0.00 0.00 177.57 176.53 1ug7 h THR 12 N 0.79 1.33 -0.99 7.19 2.02 0.40 -1.44 112.91 122.21 1ug7 h THR 12 Ca 0.42 -1.04 0.10 0.00 0.77 0.00 0.00 66.41 66.66 1ug7 h THR 12 Cb 0.41 1.90 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 1ug7 h THR 12 CO -0.26 0.28 0.63 -0.09 0.37 0.00 0.00 175.52 176.44 1ug7 h ARG 13 N -0.26 1.02 0.00 6.66 1.12 0.20 0.20 114.38 123.32 1ug7 h ARG 13 Ca 0.01 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.74 1ug7 h ARG 13 Cb 0.47 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 1ug7 h ARG 13 CO 0.01 0.67 -0.37 0.77 -3.11 0.00 0.00 179.97 177.94 1ug7 h SER 14 N 1.05 0.00 -0.19 -3.80 0.02 -0.18 -2.22 113.55 108.22 1ug7 h SER 14 Ca 0.47 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 1ug7 h SER 14 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1ug7 h SER 14 CO -0.23 0.37 0.07 0.25 -1.14 0.00 0.00 176.83 176.16 1ug7 h LEU 15 N 0.00 0.27 -0.71 5.07 6.46 0.51 -2.65 115.31 124.26 1ug7 h LEU 15 Ca -0.00 -0.17 -0.07 0.00 -0.12 0.00 0.00 57.88 57.51 1ug7 h LEU 15 Cb 0.79 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 1ug7 h LEU 15 CO 0.05 0.36 0.14 -0.07 -0.62 0.00 0.00 178.44 178.30 1ug7 h LEU 16 N 0.15 1.07 -1.85 2.25 3.38 -1.22 -2.01 115.31 117.09 1ug7 h LEU 16 Ca 0.06 -0.24 0.28 0.00 0.09 0.00 0.00 57.88 58.07 1ug7 h LEU 16 Cb 0.18 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1ug7 h LEU 16 CO -0.00 1.04 0.71 1.56 0.09 0.00 0.00 178.44 181.83 1ug7 h GLN 17 N 1.06 0.10 0.01 1.13 4.20 -1.06 1.43 115.11 121.98 1ug7 h GLN 17 Ca 0.21 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 1ug7 h GLN 17 Cb 0.41 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ug7 h GLN 17 CO 0.01 0.07 -0.17 0.00 -0.67 0.00 0.00 178.83 178.06 1ug7 h ARG 18 N 0.11 0.02 0.00 1.46 3.08 -1.11 0.10 114.38 118.03 1ug7 h ARG 18 Ca 0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.52 1ug7 h ARG 18 Cb 1.79 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.85 1ug7 h ARG 18 CO -0.07 1.01 0.00 0.91 -1.07 0.00 0.00 179.97 180.75 1ug7 n TRP 19 N -4.57 0.50 -0.09 3.04 8.01 -0.14 -0.35 117.44 123.85 1ug7 n TRP 19 Ca -0.12 0.22 -0.12 0.00 -1.31 0.00 0.00 57.50 56.17 1ug7 n TRP 19 Cb 0.52 -0.86 -0.15 0.00 -2.01 0.00 0.00 31.31 28.81 1ug7 n TRP 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ug7 n GLY 20 N -0.58 -0.87 0.08 6.99 0.00 0.47 -3.57 105.19 107.72 1ug7 n GLY 20 Ca 0.01 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1ug7 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug7 n ALA 21 N -2.82 2.45 -0.07 4.61 0.00 0.35 -2.91 120.51 122.12 1ug7 n ALA 21 Ca -0.33 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 52.93 1ug7 n ALA 21 Cb 1.11 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1ug7 n ALA 21 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ug7 h SER 22 N 0.00 0.00 0.21 0.00 0.02 -0.85 -3.23 113.55 109.70 1ug7 h SER 22 Ca 0.00 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1ug7 h SER 22 Cb 0.70 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 1ug7 h SER 22 CO 0.00 0.89 -0.49 0.25 -1.14 0.00 0.00 176.83 176.33 1ug7 h LEU 23 N -1.00 -1.45 -0.90 5.07 5.85 -1.66 0.19 115.31 121.41 1ug7 h LEU 23 Ca -0.07 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.92 1ug7 h LEU 23 Cb 0.63 0.53 -0.14 0.00 0.37 0.00 0.00 40.66 42.05 1ug7 h LEU 23 CO -0.04 -0.57 -0.45 0.03 -0.34 0.00 0.00 178.44 177.07 1ug7 h ARG 24 N -0.79 -0.05 0.09 1.25 2.47 -1.72 0.15 114.38 115.77 1ug7 h ARG 24 Ca -0.01 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1ug7 h ARG 24 Cb 0.77 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.07 1ug7 h ARG 24 CO -0.23 -0.03 -0.23 -0.09 0.56 0.00 0.00 179.97 179.95 1ug7 h ARG 25 N -0.05 -0.40 -0.97 0.04 2.43 -1.43 -1.80 114.38 112.20 1ug7 h ARG 25 Ca 0.26 0.03 0.31 0.00 -0.81 0.00 0.00 59.98 59.77 1ug7 h ARG 25 Cb 0.54 0.09 -0.18 0.00 -0.42 0.00 0.00 29.97 30.00 1ug7 h ARG 25 CO -0.91 -0.27 0.18 0.41 -1.51 0.00 0.00 179.97 177.88 1ug7 n GLY 26 N -1.35 -1.12 0.13 2.80 0.00 0.62 0.16 105.19 106.42 1ug7 n GLY 26 Ca -0.06 0.89 -0.12 0.00 0.00 0.00 0.00 46.02 46.73 1ug7 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug7 h ALA 27 N 1.93 0.26 -0.94 4.61 0.00 -0.50 -2.76 119.26 121.86 1ug7 h ALA 27 Ca 0.66 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.52 1ug7 h ALA 27 Cb 1.52 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.07 1ug7 h ALA 27 CO -0.86 0.01 -0.25 0.22 0.00 0.00 0.00 179.25 178.37 1ug7 h ASP 28 N 0.08 -0.94 0.37 0.00 1.82 0.23 0.32 116.42 118.31 1ug7 h ASP 28 Ca 0.05 0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.96 1ug7 h ASP 28 Cb 0.46 0.60 0.00 0.00 0.68 0.00 0.00 39.33 41.07 1ug7 h ASP 28 CO 0.02 -0.31 -0.18 -0.26 -1.61 0.00 0.00 179.24 176.90 1ug7 h PHE 29 N -0.00 -0.47 -0.19 0.28 0.04 -1.24 -2.17 116.94 113.19 1ug7 h PHE 29 Ca 0.44 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.22 1ug7 h PHE 29 Cb 0.68 0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.94 1ug7 h PHE 29 CO -0.74 -0.28 -0.31 -0.44 -0.60 0.00 0.00 178.31 175.94 1ug7 h ASP 30 N -0.51 -1.02 -0.68 2.17 3.32 -0.21 1.51 116.42 121.00 1ug7 h ASP 30 Ca -0.05 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.19 1ug7 h ASP 30 Cb 0.39 0.41 -0.08 0.00 0.22 0.00 0.00 39.33 40.27 1ug7 h ASP 30 CO 0.08 -0.23 -0.43 0.28 -1.72 0.00 0.00 179.24 177.22 1ug7 h SER 31 N -0.24 -1.57 0.00 6.45 0.02 -0.78 -2.66 113.55 114.77 1ug7 h SER 31 Ca 0.04 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1ug7 h SER 31 Cb 0.34 0.69 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1ug7 h SER 31 CO -0.31 -0.19 0.00 0.79 -1.14 0.00 0.00 176.83 175.98 1ug7 n TRP 32 N -4.66 0.00 0.00 3.45 8.01 -0.79 -4.93 117.44 118.52 1ug7 n TRP 32 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 1ug7 n TRP 32 Cb 0.20 -0.24 0.00 0.00 -2.01 0.00 0.00 31.31 29.26 1ug7 n TRP 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ug7 n GLY 33 N -0.80 0.00 2.84 6.99 0.00 0.48 -5.07 105.19 109.63 1ug7 n GLY 33 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ug7 n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ug7 n GLN 34 N 0.00 3.95 -0.11 1.61 1.13 0.82 -4.87 117.38 119.91 1ug7 n GLN 34 Ca 0.00 -4.80 -0.10 0.00 -1.94 0.00 0.00 57.00 50.16 1ug7 n GLN 34 Cb 0.00 -2.31 -0.04 0.00 0.11 0.00 0.00 30.24 27.99 1ug7 n GLN 34 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ug7 h LEU 35 N 3.37 -1.37 0.00 1.08 3.38 -1.90 0.64 115.31 120.51 1ug7 h LEU 35 Ca 0.26 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1ug7 h LEU 35 Cb 0.44 0.60 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ug7 h LEU 35 CO 0.93 -0.37 0.00 0.55 0.09 0.00 0.00 178.44 179.65 1ug7 n VAL 36 N -5.42 0.00 -0.33 1.22 3.14 -1.26 0.17 118.33 115.85 1ug7 n VAL 36 Ca -0.01 1.36 0.16 0.00 -2.96 0.00 0.00 64.34 62.89 1ug7 n VAL 36 Cb 0.35 -1.88 0.36 0.00 -1.06 0.00 0.00 33.84 31.60 1ug7 n VAL 36 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ug7 h GLU 37 N 0.00 0.52 0.63 1.45 3.07 -1.87 -0.36 114.58 118.02 1ug7 h GLU 37 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1ug7 h GLU 37 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1ug7 h GLU 37 CO 0.00 0.34 -0.48 0.00 -1.40 0.00 0.00 179.01 177.47 1ug7 h ALA 38 N 1.72 -1.16 -0.04 3.43 0.00 0.41 0.12 119.26 123.73 1ug7 h ALA 38 Ca 0.61 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1ug7 h ALA 38 Cb 1.16 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1ug7 h ALA 38 CO -0.49 -1.18 -0.06 0.82 0.00 0.00 0.00 179.25 178.34 1ug7 h ILE 39 N -1.07 0.00 -0.98 0.00 2.04 0.34 0.21 117.51 118.05 1ug7 h ILE 39 Ca -0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.90 1ug7 h ILE 39 Cb 0.90 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 1ug7 h ILE 39 CO 0.02 0.00 -0.49 -0.67 0.00 0.00 0.00 178.15 177.01 1ug7 n ASP 40 N -3.00 -0.85 -0.11 1.72 2.03 -0.64 0.47 116.55 116.16 1ug7 n ASP 40 Ca -0.00 1.73 -0.09 0.00 0.52 0.00 0.00 54.79 56.94 1ug7 n ASP 40 Cb 0.04 -0.30 -0.07 0.00 -0.72 0.00 0.00 41.12 40.07 1ug7 n ASP 40 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ug7 h GLU 41 N 0.00 -0.24 -0.07 -0.67 4.22 0.32 0.80 114.58 118.94 1ug7 h GLU 41 Ca 0.24 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.74 1ug7 h GLU 41 Cb 0.49 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1ug7 h GLU 41 CO -0.94 -0.16 -0.35 1.88 -2.18 0.00 0.00 179.01 177.25 1ug7 h TYR 42 N -0.25 -0.99 0.01 0.92 0.05 0.19 -0.50 116.97 116.40 1ug7 h TYR 42 Ca 0.05 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.88 1ug7 h TYR 42 Cb 0.40 0.45 -0.03 0.00 1.01 0.00 0.00 36.73 38.55 1ug7 h TYR 42 CO -0.71 -0.43 -0.28 1.96 -1.05 0.00 0.00 178.16 177.64 1ug7 h GLN 43 N -0.46 -0.35 -0.99 4.88 4.20 0.80 1.46 115.11 124.65 1ug7 h GLN 43 Ca 0.08 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.01 1ug7 h GLN 43 Cb 0.58 0.08 -0.19 0.00 0.30 0.00 0.00 27.48 28.26 1ug7 h GLN 43 CO -0.33 -0.23 -0.23 0.82 -0.67 0.00 0.00 178.83 178.19 1ug7 h ILE 44 N -0.36 0.01 -0.22 2.54 5.03 0.81 1.20 117.51 126.53 1ug7 h ILE 44 Ca 0.00 -0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.73 1ug7 h ILE 44 Cb 0.38 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.17 1ug7 h ILE 44 CO -0.18 0.00 0.07 0.25 -0.68 0.00 0.00 178.15 177.60 1ug7 h LEU 45 N 0.00 0.32 -0.59 1.44 5.85 0.03 -1.28 115.31 121.06 1ug7 h LEU 45 Ca 0.48 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 59.11 1ug7 h LEU 45 Cb 0.76 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.62 1ug7 h LEU 45 CO -1.01 0.44 0.11 0.00 -0.34 0.00 0.00 178.44 177.64 1ug7 h ALA 46 N 0.89 0.69 -0.11 1.25 0.00 1.03 0.12 119.26 123.12 1ug7 h ALA 46 Ca 0.07 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ug7 h ALA 46 Cb 0.24 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ug7 h ALA 46 CO -0.00 -0.32 0.05 0.00 0.00 0.00 0.00 179.25 178.98 1ug7 h ARG 47 N 0.24 0.11 -0.61 0.00 3.08 0.65 -2.14 114.38 115.71 1ug7 h ARG 47 Ca 0.31 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.46 1ug7 h ARG 47 Cb 0.46 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 1ug7 h ARG 47 CO -0.41 0.07 0.19 0.45 -1.07 0.00 0.00 179.97 179.20 1ug7 h HIS 48 N 0.11 0.32 -0.54 3.04 3.86 0.04 0.50 115.15 122.48 1ug7 h HIS 48 Ca 0.05 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.39 1ug7 h HIS 48 Cb 0.01 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.35 1ug7 h HIS 48 CO -0.09 0.05 0.10 -0.07 0.86 0.00 0.00 177.93 178.77 1ug7 h LEU 49 N 0.35 -0.03 -0.08 2.43 3.38 -0.31 -1.29 115.31 119.76 1ug7 h LEU 49 Ca 0.31 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1ug7 h LEU 49 Cb 0.42 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ug7 h LEU 49 CO -0.35 0.01 0.05 1.56 0.09 0.00 0.00 178.44 179.80 1ug7 h GLN 50 N 0.23 0.10 -1.53 1.13 4.20 -0.40 0.19 115.11 119.03 1ug7 h GLN 50 Ca 0.27 -0.01 0.44 0.00 0.06 0.00 0.00 58.65 59.42 1ug7 h GLN 50 Cb 0.39 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1ug7 h GLN 50 CO -0.37 0.07 1.22 0.87 -0.67 0.00 0.00 178.83 179.95 1ug7 h LYS 51 N 0.10 0.00 0.03 1.46 6.56 0.21 1.68 116.57 126.61 1ug7 h LYS 51 Ca 0.03 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.26 1ug7 h LYS 51 Cb -0.01 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.60 1ug7 h LYS 51 CO -0.01 0.00 -2.21 0.39 -2.06 0.00 0.00 179.45 175.56 1ug7 n GLU 52 N -3.80 0.68 0.21 3.15 -0.58 -0.47 -3.34 120.64 116.49 1ug7 n GLU 52 Ca 0.34 0.17 -0.09 0.00 -0.42 0.00 0.00 57.16 57.16 1ug7 n GLU 52 Cb 1.69 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 30.91 1ug7 n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ug7 h ALA 53 N 0.42 -0.70 -0.72 0.62 0.00 0.49 -3.26 119.26 116.10 1ug7 h ALA 53 Ca -0.48 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 53.78 1ug7 h ALA 53 Cb 2.03 0.22 -0.21 0.00 0.00 0.00 0.00 17.79 19.83 1ug7 h ALA 53 CO 0.01 -0.66 0.64 0.00 0.00 0.00 0.00 179.25 179.24 1ug7 n GLN 54 N -4.47 2.32 -0.79 0.00 10.64 0.39 -4.76 117.38 120.71 1ug7 n GLN 54 Ca -0.07 -2.51 -0.34 0.00 -1.83 0.00 0.00 57.00 52.25 1ug7 n GLN 54 Cb 0.22 -2.01 0.12 0.00 -0.86 0.00 0.00 30.24 27.71 1ug7 n GLN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ug7 n ALA 55 N -0.05 -4.26 -0.39 2.61 0.00 -1.21 -4.79 120.51 112.42 1ug7 n ALA 55 Ca 0.47 -1.11 -0.04 0.00 0.00 0.00 0.00 53.44 52.76 1ug7 n ALA 55 Cb 0.55 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ug7 n ALA 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ug7 n GLN 56 N -0.74 -0.29 -2.84 0.00 3.00 -1.26 -3.21 117.38 112.05 1ug7 n GLN 56 Ca 0.01 1.49 -0.12 0.00 -0.01 0.00 0.00 57.00 58.38 1ug7 n GLN 56 Cb 0.62 -2.20 0.03 0.00 0.00 0.00 0.00 30.24 28.69 1ug7 n GLN 56 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1ug7 n HIS 57 N -5.37 -0.06 -3.99 1.08 8.25 -1.26 -4.98 115.22 108.89 1ug7 n HIS 57 Ca 0.07 -2.93 -0.44 0.00 -0.26 0.00 0.00 57.72 54.17 1ug7 n HIS 57 Cb 0.35 0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.57 1ug7 n HIS 57 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ug7 n ASN 58 N 0.01 -4.37 -3.59 0.41 3.02 -1.20 -4.93 115.26 104.61 1ug7 n ASN 58 Ca 0.12 -1.24 -0.29 0.00 -0.03 0.00 0.00 54.58 53.14 1ug7 n ASN 58 Cb 0.76 -2.05 -0.15 0.00 -0.61 0.00 0.00 39.78 37.73 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ug7 s ASN 59 N -3.52 3.66 0.27 6.41 2.47 -1.26 -4.97 114.94 117.99 1ug7 s ASN 59 Ca 0.49 -1.42 -0.07 0.00 0.42 0.00 0.00 52.86 52.28 1ug7 s ASN 59 Cb -0.25 -0.49 -0.01 0.00 -1.45 0.00 0.00 41.25 39.05 1ug7 s ASN 59 CO 0.95 -0.43 0.41 -0.94 -3.72 0.00 0.00 177.10 173.37 1ug7 s SER 60 N 1.93 0.26 0.37 -4.21 1.04 -1.26 -4.86 113.70 106.96 1ug7 s SER 60 Ca 0.10 -1.19 0.10 0.00 0.48 0.00 0.00 55.95 55.44 1ug7 s SER 60 Cb -0.17 0.57 0.85 0.00 0.10 0.00 0.00 66.02 67.37 1ug7 s SER 60 CO -0.33 -1.13 1.88 -0.33 0.98 0.00 0.00 173.24 174.31 1ug7 h GLU 61 N 2.28 0.64 -7.52 4.02 3.07 -1.99 -3.42 114.58 111.66 1ug7 h GLU 61 Ca -0.29 -0.04 -0.46 0.00 -0.50 0.00 0.00 59.36 58.08 1ug7 h GLU 61 Cb 1.25 -0.14 0.12 0.00 -0.84 0.00 0.00 28.75 29.14 1ug7 h GLU 61 CO 0.40 0.42 0.30 -0.06 -1.40 0.00 0.00 179.01 178.67 1ug7 s PHE 62 N -5.64 1.79 0.30 4.33 0.08 -1.26 -5.08 117.98 112.50 1ug7 s PHE 62 Ca -0.10 0.15 0.08 0.00 0.12 0.00 0.00 56.93 57.18 1ug7 s PHE 62 Cb 0.22 -3.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.01 1ug7 s PHE 62 CO 0.78 -2.16 0.16 -0.08 -0.10 0.00 0.00 175.22 173.82 1ug7 s THR 63 N -3.56 3.57 0.33 0.64 -1.32 -1.26 -4.87 115.64 109.17 1ug7 s THR 63 Ca 0.69 -1.60 0.10 0.00 -1.21 0.00 0.00 61.69 59.67 1ug7 s THR 63 Cb -0.05 -3.10 0.35 0.00 -1.51 0.00 0.00 72.50 68.19 1ug7 s THR 63 CO 0.49 -0.26 1.61 -0.33 -2.21 0.00 0.00 174.62 173.92 1ug7 h GLU 64 N 1.54 0.12 0.49 7.08 5.08 -1.96 0.77 114.58 127.70 1ug7 h GLU 64 Ca -0.45 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1ug7 h GLU 64 Cb 1.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1ug7 h GLU 64 CO 0.61 0.08 -0.45 0.93 -1.00 0.00 0.00 179.01 179.18 1ug7 h GLU 65 N 0.12 -0.91 0.09 2.33 4.39 -1.98 1.48 114.58 120.11 1ug7 h GLU 65 Ca 0.68 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.44 1ug7 h GLU 65 Cb 1.57 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.43 1ug7 h GLU 65 CO -0.74 -0.61 -0.04 1.96 -1.16 0.00 0.00 179.01 178.42 1ug7 h GLN 66 N -0.94 -0.12 -0.71 2.33 7.50 -0.92 -2.09 115.11 120.15 1ug7 h GLN 66 Ca -0.05 0.01 0.09 0.00 0.50 0.00 0.00 58.65 59.19 1ug7 h GLN 66 Cb 0.82 0.03 -0.05 0.00 0.05 0.00 0.00 27.48 28.33 1ug7 h GLN 66 CO -0.04 -0.03 0.47 0.87 -1.50 0.00 0.00 178.83 178.60 1ug7 h LYS 67 N -0.18 0.62 -0.79 1.46 1.57 0.51 0.97 116.57 120.73 1ug7 h LYS 67 Ca -0.01 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1ug7 h LYS 67 Cb 0.15 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 1ug7 h LYS 67 CO 0.02 0.41 0.47 -0.22 -0.57 0.00 0.00 179.45 179.56 1ug7 h LYS 68 N 0.64 0.83 -0.13 3.15 1.63 0.28 -2.04 116.57 120.93 1ug7 h LYS 68 Ca 0.32 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.93 1ug7 h LYS 68 Cb 0.42 -0.19 0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1ug7 h LYS 68 CO -0.11 0.55 -0.49 1.15 -3.45 0.00 0.00 179.45 177.10 1ug7 h THR 69 N 0.86 1.35 -0.95 1.00 2.02 -0.52 -3.13 112.91 113.55 1ug7 h THR 69 Ca 0.35 -1.78 0.28 0.00 0.77 0.00 0.00 66.41 66.03 1ug7 h THR 69 Cb 0.19 2.09 -0.17 0.00 -1.74 0.00 0.00 68.15 68.53 1ug7 h THR 69 CO -0.18 0.54 0.20 0.40 0.37 0.00 0.00 175.52 176.84 1ug7 h ILE 70 N 0.19 0.14 0.65 3.11 2.04 -0.22 0.16 117.51 123.57 1ug7 h ILE 70 Ca -0.02 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1ug7 h ILE 70 Cb 1.12 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1ug7 h ILE 70 CO 0.10 0.02 -0.31 1.23 0.00 0.00 0.00 178.15 179.19 1ug7 h GLY 71 N 0.09 -0.91 -0.73 5.37 0.00 -1.42 -2.73 103.07 102.74 1ug7 h GLY 71 Ca 0.62 0.34 0.35 0.00 0.00 0.00 0.00 47.33 48.64 1ug7 h GLY 71 CO -0.79 -0.33 0.51 0.50 0.00 0.00 0.00 176.54 176.43 1ug7 h LYS 72 N -1.05 0.17 -0.10 4.80 1.57 -0.73 1.19 116.57 122.41 1ug7 h LYS 72 Ca -0.09 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1ug7 h LYS 72 Cb 0.71 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1ug7 h LYS 72 CO 0.15 0.11 -0.03 0.82 -0.57 0.00 0.00 179.45 179.93 1ug7 h ILE 73 N 0.17 0.90 0.20 1.86 2.04 -0.77 -2.49 117.51 119.42 1ug7 h ILE 73 Ca 0.76 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.63 1ug7 h ILE 73 Cb 1.84 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1ug7 h ILE 73 CO -0.69 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.18 1ug7 h ALA 74 N 1.10 -0.53 -0.70 1.87 0.00 0.16 -2.63 119.26 118.54 1ug7 h ALA 74 Ca 0.05 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ug7 h ALA 74 Cb 0.07 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1ug7 h ALA 74 CO -0.10 -0.84 -0.41 2.41 0.00 0.00 0.00 179.25 180.31 1ug7 n THR 75 N -5.39 -0.48 -0.22 0.00 -1.04 -0.16 0.53 114.28 107.51 1ug7 n THR 75 Ca -0.08 1.94 -0.09 0.00 -2.04 0.00 0.00 64.05 63.79 1ug7 n THR 75 Cb 0.30 -2.42 -0.05 0.00 -1.82 0.00 0.00 70.33 66.34 1ug7 n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 n LEU 77 N -5.39 -0.91 -0.33 0.00 4.77 0.19 0.11 117.00 115.44 1ug7 n LEU 77 Ca 0.01 1.60 0.08 0.00 -0.03 0.00 0.00 56.01 57.68 1ug7 n LEU 77 Cb 0.34 -0.24 0.19 0.00 -2.33 0.00 0.00 43.42 41.38 1ug7 n LEU 77 CO -0.03 -1.28 0.73 -0.33 -1.33 0.00 0.00 177.39 175.15 1ug7 h GLU 78 N 0.00 0.01 0.23 3.23 4.39 0.22 1.44 114.58 124.10 1ug7 h GLU 78 Ca 0.14 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ug7 h GLU 78 Cb 0.35 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1ug7 h GLU 78 CO -0.81 0.01 -0.11 -0.07 -1.16 0.00 0.00 179.01 176.87 1ug7 h LEU 79 N 0.01 -0.27 0.58 1.33 -0.00 0.13 0.11 115.31 117.21 1ug7 h LEU 79 Ca 0.50 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.33 1ug7 h LEU 79 Cb 0.89 0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.61 1ug7 h LEU 79 CO -0.93 -0.15 -0.36 -0.09 -0.00 0.00 0.00 178.44 176.91 1ug7 h ARG 80 N -0.36 -0.84 -0.83 1.13 9.65 0.30 1.30 114.38 124.72 1ug7 h ARG 80 Ca -0.03 0.06 0.20 0.00 -1.10 0.00 0.00 59.98 59.10 1ug7 h ARG 80 Cb 0.28 0.19 -0.15 0.00 -1.39 0.00 0.00 29.97 28.90 1ug7 h ARG 80 CO 0.05 -0.56 0.00 0.77 2.80 0.00 0.00 179.97 183.03 1ug7 h SER 81 N -0.88 -0.40 0.09 -3.80 0.02 0.17 0.22 113.55 108.98 1ug7 h SER 81 Ca -0.08 0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1ug7 h SER 81 Cb 0.70 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ug7 h SER 81 CO 0.08 -0.22 -0.05 0.00 -1.14 0.00 0.00 176.83 175.50 1ug7 h ALA 82 N 1.79 -0.13 -0.89 3.77 0.00 -0.49 -2.71 119.26 120.60 1ug7 h ALA 82 Ca 0.46 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.40 1ug7 h ALA 82 Cb 0.85 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.52 1ug7 h ALA 82 CO -0.74 -0.43 -0.24 0.00 0.00 0.00 0.00 179.25 177.83 1ug7 h ALA 83 N 0.48 0.55 -0.16 0.00 0.00 0.47 0.80 119.26 121.41 1ug7 h ALA 83 Ca -0.01 0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1ug7 h ALA 83 Cb 0.33 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1ug7 h ALA 83 CO 0.02 -0.41 -0.15 -0.07 0.00 0.00 0.00 179.25 178.64 1ug7 h LEU 84 N -0.00 -0.48 0.01 0.00 3.38 -0.78 -2.35 115.31 115.09 1ug7 h LEU 84 Ca 0.42 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.51 1ug7 h LEU 84 Cb 0.65 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1ug7 h LEU 84 CO -0.92 -0.19 -0.17 1.56 0.09 0.00 0.00 178.44 178.81 1ug7 h GLN 85 N -0.17 -0.27 -6.97 1.13 4.20 0.63 -3.42 115.11 110.24 1ug7 h GLN 85 Ca 0.10 0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.30 1ug7 h GLN 85 Cb 0.33 0.06 0.10 0.00 0.30 0.00 0.00 27.48 28.27 1ug7 h GLN 85 CO -0.26 -0.18 0.64 -1.12 -0.67 0.00 0.00 178.83 177.24 1ug7 s SER 86 N -4.97 6.09 -0.00 1.46 0.01 0.18 -4.96 113.70 111.50 1ug7 s SER 86 Ca -0.15 2.75 -0.12 0.00 1.31 0.00 0.00 55.95 59.75 1ug7 s SER 86 Cb 0.09 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1ug7 s SER 86 CO 0.66 -1.01 0.80 0.74 0.41 0.00 0.00 173.24 174.84 1ug7 h THR 87 N 2.33 0.00 -0.17 1.44 2.02 -1.81 -3.45 112.91 113.27 1ug7 h THR 87 Ca -0.50 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1ug7 h THR 87 Cb 1.26 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1ug7 h THR 87 CO 0.62 0.00 0.00 1.67 0.37 0.00 0.00 175.52 178.18 1ug7 n GLN 88 N -3.70 0.00 -3.52 6.66 -0.06 -1.26 -5.04 117.38 110.46 1ug7 n GLN 88 Ca -0.05 0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 54.73 1ug7 n GLN 88 Cb 0.17 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.38 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1ug7 n SER 89 N 0.00 -5.94 0.14 1.69 7.64 -1.26 -4.84 113.62 111.05 1ug7 n SER 89 Ca 0.00 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1ug7 n SER 89 Cb 0.00 -3.64 0.00 0.00 -1.01 0.00 0.00 64.21 59.56 1ug7 n SER 89 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ug7 n GLN 90 N -3.23 0.00 -1.48 1.43 -0.06 -1.26 -5.09 117.38 107.69 1ug7 n GLN 90 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.89 1ug7 n GLN 90 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 1ug7 n GLN 90 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1ug7 n GLU 91 N -3.09 0.00 0.00 3.69 2.13 -1.26 -5.10 120.64 117.01 1ug7 n GLU 91 Ca 0.00 0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1ug7 n GLU 91 Cb 0.00 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.23 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ug7 n GLU 92 N -1.31 3.50 -1.79 5.31 1.02 -1.26 -5.07 120.64 121.04 1ug7 n GLU 92 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 1ug7 n GLU 92 Cb 0.49 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.94 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ug7 s PHE 93 N 1.97 3.28 0.00 -0.32 5.36 -1.26 -5.05 117.98 121.96 1ug7 s PHE 93 Ca 0.00 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1ug7 s PHE 93 Cb 0.00 -2.84 0.00 0.00 -0.34 0.00 0.00 43.02 39.84 1ug7 s PHE 93 CO 0.00 -0.98 0.00 0.36 -1.46 0.00 0.00 175.22 173.14 1ug7 n LYS 94 N -2.75 1.90 -0.04 10.12 2.85 -1.26 -4.72 118.16 124.26 1ug7 n LYS 94 Ca 0.07 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.12 1ug7 n LYS 94 Cb 0.54 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.79 1ug7 n LYS 94 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ug7 n LEU 95 N 0.00 2.60 -0.31 -5.58 4.77 -1.26 -3.37 117.00 113.85 1ug7 n LEU 95 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ug7 n LEU 95 Cb 0.00 -1.05 0.14 0.00 -2.33 0.00 0.00 43.42 40.18 1ug7 n LEU 95 CO 0.00 0.80 1.19 1.05 -1.33 0.00 0.00 177.39 179.10 1ug7 h GLU 96 N -0.11 0.95 -0.15 3.23 -0.00 -1.98 0.62 114.58 117.14 1ug7 h GLU 96 Ca -0.46 -0.06 -0.12 0.00 -0.00 0.00 0.00 59.36 58.72 1ug7 h GLU 96 Cb 1.91 -0.21 -0.01 0.00 -0.00 0.00 0.00 28.75 30.43 1ug7 h GLU 96 CO -0.01 0.63 -0.41 0.22 -0.00 0.00 0.00 179.01 179.44 1ug7 h ASP 97 N 0.98 0.36 0.45 3.06 1.82 -1.99 -1.80 116.42 119.30 1ug7 h ASP 97 Ca 0.37 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 1ug7 h ASP 97 Cb 0.15 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1ug7 h ASP 97 CO -0.17 0.74 -0.22 0.25 -1.61 0.00 0.00 179.24 178.24 1ug7 h LEU 98 N 0.29 -0.51 -2.07 2.28 5.85 -1.07 -2.83 115.31 117.24 1ug7 h LEU 98 Ca 0.03 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1ug7 h LEU 98 Cb 0.85 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1ug7 h LEU 98 CO 0.07 -0.10 0.33 0.50 -0.34 0.00 0.00 178.44 178.90 1ug7 h LYS 99 N -1.06 0.00 0.00 1.25 1.63 0.16 1.36 116.57 119.92 1ug7 h LYS 99 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1ug7 h LYS 99 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1ug7 h LYS 99 CO 0.10 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.73 1ug7 n LYS 100 N -3.16 0.07 0.00 1.90 5.02 -0.68 -0.88 118.16 120.42 1ug7 n LYS 100 Ca 0.00 0.22 0.11 0.00 -2.02 0.00 0.00 58.31 56.62 1ug7 n LYS 100 Cb 0.41 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.97 1ug7 n LYS 100 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ug7 n LEU 101 N -1.43 1.81 -0.02 -0.35 4.77 0.47 -4.01 117.00 118.23 1ug7 n LEU 101 Ca 0.05 -0.66 -0.12 0.00 -0.03 0.00 0.00 56.01 55.25 1ug7 n LEU 101 Cb 0.16 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1ug7 n LEU 101 CO 0.13 0.34 0.81 -0.08 -1.33 0.00 0.00 177.39 177.26 1ug7 h GLU 102 N 2.10 0.15 -0.02 3.23 4.81 -1.06 -2.16 114.58 121.63 1ug7 h GLU 102 Ca 0.00 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1ug7 h GLU 102 Cb 0.70 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.07 1ug7 h GLU 102 CO 0.00 0.29 -0.34 -1.00 -0.73 0.00 0.00 179.01 177.22 1ug7 h PRO 103 N -0.01 0.27 -1.04 0.92 0.13 -1.75 -2.60 132.00 127.92 1ug7 h PRO 103 Ca 0.03 -0.26 0.30 0.00 -0.87 0.00 0.00 66.00 65.20 1ug7 h PRO 103 Cb 0.19 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 31.26 1ug7 h PRO 103 CO -0.00 0.95 0.63 0.82 -0.23 0.00 0.00 178.00 180.17 1ug7 h ILE 104 N -0.31 0.40 -0.02 -3.56 2.04 -1.69 1.68 117.51 116.05 1ug7 h ILE 104 Ca -0.04 -0.14 -0.20 0.00 1.00 0.00 0.00 64.86 65.49 1ug7 h ILE 104 Cb 1.06 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1ug7 h ILE 104 CO 0.07 0.07 -0.85 -0.07 0.00 0.00 0.00 178.15 177.37 1ug7 h LEU 105 N 0.39 0.40 0.56 1.44 3.38 -1.39 -1.97 115.31 118.13 1ug7 h LEU 105 Ca 0.69 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 1ug7 h LEU 105 Cb 1.59 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.23 1ug7 h LEU 105 CO -0.48 1.08 -0.27 0.11 0.09 0.00 0.00 178.44 178.97 1ug7 h LYS 106 N 0.19 -0.73 -1.50 1.13 1.57 0.24 -3.09 116.57 114.38 1ug7 h LYS 106 Ca -0.05 0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1ug7 h LYS 106 Cb 1.46 0.16 -0.12 0.00 0.08 0.00 0.00 32.23 33.81 1ug7 h LYS 106 CO 0.14 -0.45 0.35 0.09 -0.57 0.00 0.00 179.45 179.01 1ug7 n ASN 107 N -5.29 5.89 -0.11 0.86 3.02 0.34 -4.45 115.26 115.52 1ug7 n ASN 107 Ca -0.10 -2.94 -0.06 0.00 -0.03 0.00 0.00 54.58 51.45 1ug7 n ASN 107 Cb 0.32 -1.00 0.02 0.00 -0.61 0.00 0.00 39.78 38.50 1ug7 n ASN 107 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ug7 h ILE 108 N 0.91 0.94 -0.33 2.41 1.08 -1.27 1.19 117.51 122.45 1ug7 h ILE 108 Ca 0.26 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.62 1ug7 h ILE 108 Cb 1.05 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1ug7 h ILE 108 CO 0.63 0.06 0.19 -0.07 -0.69 0.00 0.00 178.15 178.28 1ug7 h LEU 109 N 0.35 0.31 -4.89 1.44 3.38 -1.86 -2.85 115.31 111.19 1ug7 h LEU 109 Ca 0.17 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.45 1ug7 h LEU 109 Cb 0.10 -0.06 -0.34 0.00 0.09 0.00 0.00 40.66 40.45 1ug7 h LEU 109 CO -0.14 0.22 0.23 1.07 0.09 0.00 0.00 178.44 179.92 1ug7 n THR 110 N -4.91 3.22 -4.07 0.22 5.66 -0.77 -5.00 114.28 108.63 1ug7 n THR 110 Ca -0.00 -4.74 -0.35 0.00 -3.05 0.00 0.00 64.05 55.91 1ug7 n THR 110 Cb 0.05 -1.28 -0.09 0.00 -1.55 0.00 0.00 70.33 67.46 1ug7 n THR 110 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1ug7 s TYR 111 N -3.84 3.26 -0.15 1.09 6.14 0.40 -4.87 117.35 119.38 1ug7 s TYR 111 Ca 0.49 0.12 -0.29 0.00 0.64 0.00 0.00 57.07 58.03 1ug7 s TYR 111 Cb 0.40 -2.01 -0.03 0.00 0.42 0.00 0.00 41.96 40.74 1ug7 s TYR 111 CO -0.29 0.25 1.42 0.54 0.64 0.00 0.00 175.55 178.11 1ug7 s ASN 112 N 0.03 6.78 0.85 4.32 4.22 -1.26 -5.00 114.94 124.88 1ug7 s ASN 112 Ca 0.05 1.81 -0.01 0.00 -2.14 0.00 0.00 52.86 52.58 1ug7 s ASN 112 Cb -0.12 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 39.88 1ug7 s ASN 112 CO 0.01 -0.89 0.02 0.29 -2.04 0.00 0.00 177.10 174.50 1ug7 n LYS 113 N 6.93 -1.41 -2.77 3.55 4.76 -1.26 -4.62 118.16 123.34 1ug7 n LYS 113 Ca 0.15 -0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.54 1ug7 n LYS 113 Cb 0.44 -0.06 0.01 0.00 -1.84 0.00 0.00 35.03 33.58 1ug7 n LYS 113 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ug7 n GLU 114 N -1.75 -1.16 -1.11 1.97 -0.58 -1.26 -4.87 120.64 111.88 1ug7 n GLU 114 Ca 0.00 1.23 -0.37 0.00 -0.42 0.00 0.00 57.16 57.60 1ug7 n GLU 114 Cb 0.02 -4.94 -0.01 0.00 -0.57 0.00 0.00 31.44 25.94 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ug7 n PHE 115 N -1.78 -1.28 0.17 -0.32 7.35 -1.26 -4.83 117.46 115.50 1ug7 n PHE 115 Ca -0.01 0.62 0.04 0.00 -0.76 0.00 0.00 57.45 57.34 1ug7 n PHE 115 Cb 0.51 -1.53 0.22 0.00 0.35 0.00 0.00 39.48 39.03 1ug7 n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1ug7 h PRO 116 N 0.46 0.00 -6.24 -7.13 0.13 -1.92 -3.45 132.00 113.86 1ug7 h PRO 116 Ca -0.28 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.23 1ug7 h PRO 116 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1ug7 h PRO 116 CO 0.42 0.45 -0.61 -0.06 -0.23 0.00 0.00 178.00 177.97 1ug7 s PHE 117 N -3.36 3.10 -0.99 1.56 0.08 -1.26 -5.05 117.98 112.06 1ug7 s PHE 117 Ca 0.01 0.01 -0.19 0.00 0.12 0.00 0.00 56.93 56.88 1ug7 s PHE 117 Cb 0.10 -1.55 0.11 0.00 -0.57 0.00 0.00 43.02 41.11 1ug7 s PHE 117 CO 0.71 0.51 1.26 -0.51 -0.10 0.00 0.00 175.22 177.09 1ug7 s ASP 118 N -2.63 6.64 -0.06 1.36 1.01 -1.26 -4.94 116.67 116.79 1ug7 s ASP 118 Ca 0.29 -2.00 -0.01 0.00 0.71 0.00 0.00 52.55 51.54 1ug7 s ASP 118 Cb -0.11 -2.45 0.03 0.00 1.01 0.00 0.00 42.92 41.40 1ug7 s ASP 118 CO 0.21 -1.15 -0.01 0.68 0.21 0.00 0.00 175.17 175.12 1ug7 s VAL 119 N 3.21 0.38 0.15 -1.27 -7.23 -1.26 -5.12 120.40 109.27 1ug7 s VAL 119 Ca 0.38 0.08 -0.31 0.00 -1.81 0.00 0.00 61.98 60.31 1ug7 s VAL 119 Cb -0.03 -0.51 -0.10 0.00 0.56 0.00 0.00 36.38 36.29 1ug7 s VAL 119 CO -0.08 0.24 1.68 -1.10 -0.31 0.00 0.00 175.10 175.53 1ug7 s GLN 120 N 1.71 4.17 0.66 4.82 -0.21 -1.26 -4.85 119.66 124.71 1ug7 s GLN 120 Ca 0.01 2.47 -0.12 0.00 0.02 0.00 0.00 55.36 57.74 1ug7 s GLN 120 Cb -0.13 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.59 1ug7 s GLN 120 CO -0.04 -0.71 1.06 -1.25 -2.12 0.00 0.00 175.29 172.22 1ug7 s PRO 121 N 1.70 3.06 0.02 2.91 0.04 -1.26 -4.70 135.00 136.77 1ug7 s PRO 121 Ca 0.74 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1ug7 s PRO 121 Cb -0.45 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1ug7 s PRO 121 CO 0.33 -1.00 0.99 0.42 0.04 0.00 0.00 177.00 177.78 1ug7 s ILE 122 N -2.88 4.76 -0.16 0.56 1.09 -1.26 -4.90 121.20 118.40 1ug7 s ILE 122 Ca 0.59 2.02 -0.13 0.00 -1.10 0.00 0.00 60.65 62.03 1ug7 s ILE 122 Cb -0.14 -4.29 0.05 0.00 -1.06 0.00 0.00 42.46 37.01 1ug7 s ILE 122 CO 0.50 0.18 0.42 -0.44 -0.10 0.00 0.00 174.94 175.50 1ug7 s SER 123 N 0.87 -0.47 0.00 3.58 0.01 -1.26 -4.75 113.70 111.69 1ug7 s SER 123 Ca 0.52 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1ug7 s SER 123 Cb -0.22 0.85 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1ug7 s SER 123 CO 0.28 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1ug7 n GLY 124 N 3.24 3.00 3.75 3.44 0.00 -1.26 -5.08 105.19 112.28 1ug7 n GLY 124 Ca -0.16 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 1ug7 n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug7 s PRO 125 N 4.87 4.65 -0.14 1.61 0.04 -1.26 -4.98 135.00 139.79 1ug7 s PRO 125 Ca 0.00 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 1ug7 s PRO 125 Cb 0.00 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1ug7 s PRO 125 CO 0.00 0.21 -0.22 0.43 0.04 0.00 0.00 177.00 177.46 1ug7 n SER 126 N 1.45 1.62 -2.98 6.66 7.64 -1.26 -5.06 113.62 121.69 1ug7 n SER 126 Ca -0.00 0.46 -0.08 0.00 1.01 0.00 0.00 58.87 60.25 1ug7 n SER 126 Cb 0.45 -0.77 0.01 0.00 -1.01 0.00 0.00 64.21 62.89 1ug7 n SER 126 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ug7 n SER 127 N -4.26 -7.32 0.00 6.43 7.64 -1.26 -5.17 113.62 109.68 1ug7 n SER 127 Ca -0.09 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1ug7 n SER 127 Cb 0.32 -4.00 0.00 0.00 -1.01 0.00 0.00 64.21 59.52 1ug7 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64