#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug7 s SER 2 N 0.00 3.32 -0.12 1.61 0.01 -1.26 -4.86 113.70 112.40 1ug7 s SER 2 Ca 0.00 -0.70 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 1ug7 s SER 2 Cb 0.00 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 1ug7 s SER 2 CO 0.00 0.20 -0.14 0.28 0.41 0.00 0.00 173.24 173.99 1ug7 h SER 3 N 4.10 0.00 0.00 2.44 0.02 -1.96 -3.51 113.55 114.64 1ug7 h SER 3 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ug7 h SER 3 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1ug7 h SER 3 CO 0.41 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 177.33 1ug7 n GLY 4 N 1.65 -0.87 2.61 -3.77 0.00 -1.26 -5.07 105.19 98.48 1ug7 n GLY 4 Ca -0.06 0.32 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 1ug7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug7 s SER 5 N -4.00 2.51 -0.18 1.61 0.15 -1.26 -5.12 113.70 107.40 1ug7 s SER 5 Ca 0.00 -0.70 -0.16 0.00 0.70 0.00 0.00 55.95 55.79 1ug7 s SER 5 Cb 0.00 -0.28 0.05 0.00 -1.71 0.00 0.00 66.02 64.08 1ug7 s SER 5 CO 0.00 -0.36 0.48 -0.55 1.20 0.00 0.00 173.24 174.02 1ug7 s SER 6 N 2.11 -0.51 -0.12 5.45 0.15 -1.26 -5.15 113.70 114.36 1ug7 s SER 6 Ca 0.02 0.98 -0.00 0.00 0.70 0.00 0.00 55.95 57.65 1ug7 s SER 6 Cb -0.16 0.98 0.03 0.00 -1.71 0.00 0.00 66.02 65.16 1ug7 s SER 6 CO -0.12 -0.17 -0.08 -0.83 1.20 0.00 0.00 173.24 173.24 1ug7 s GLY 7 N 0.35 0.87 0.38 9.45 0.00 -1.26 -4.69 107.32 112.43 1ug7 s GLY 7 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.09 1ug7 s GLY 7 CO -0.00 0.79 0.00 -0.13 0.00 0.00 0.00 173.10 173.76 1ug7 n MET 8 N 4.92 -4.29 -2.73 2.90 1.56 -1.26 -5.03 117.12 113.19 1ug7 n MET 8 Ca -0.13 3.13 -0.07 0.00 -0.27 0.00 0.00 57.70 60.36 1ug7 n MET 8 Cb 0.50 -3.48 0.06 0.00 2.15 0.00 0.00 33.22 32.44 1ug7 n MET 8 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1ug7 n SER 9 N -0.15 -2.47 0.00 6.12 2.88 -1.26 -4.97 113.62 113.77 1ug7 n SER 9 Ca 0.00 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 1ug7 n SER 9 Cb 0.00 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.01 1ug7 n SER 9 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ug7 n GLU 10 N 1.57 0.00 -0.36 -1.46 2.13 -1.26 -3.93 120.64 117.32 1ug7 n GLU 10 Ca 0.07 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.91 1ug7 n GLU 10 Cb 0.65 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.45 1ug7 n GLU 10 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ug7 h VAL 11 N 0.00 0.02 -0.27 6.31 2.07 -1.98 1.53 116.25 123.92 1ug7 h VAL 11 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1ug7 h VAL 11 Cb 0.00 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1ug7 h VAL 11 CO 0.00 0.00 -0.37 0.74 0.02 0.00 0.00 177.57 177.96 1ug7 h THR 12 N -0.01 1.29 -0.10 2.57 2.02 -1.95 -2.24 112.91 114.49 1ug7 h THR 12 Ca 0.41 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1ug7 h THR 12 Cb 0.66 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1ug7 h THR 12 CO -0.99 0.48 -0.05 -0.09 0.37 0.00 0.00 175.52 175.24 1ug7 h ARG 13 N 0.51 0.15 0.00 6.66 2.43 0.14 -0.61 114.38 123.66 1ug7 h ARG 13 Ca 0.05 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1ug7 h ARG 13 Cb 0.87 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1ug7 h ARG 13 CO 0.07 0.22 -0.46 0.77 -1.51 0.00 0.00 179.97 179.07 1ug7 h SER 14 N 0.15 0.00 0.27 -3.80 0.02 0.11 -3.27 113.55 107.04 1ug7 h SER 14 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1ug7 h SER 14 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ug7 h SER 14 CO 0.01 0.44 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.94 1ug7 h LEU 15 N 0.00 -0.31 -1.68 5.07 3.38 -0.55 1.15 115.31 122.38 1ug7 h LEU 15 Ca -0.01 0.01 0.43 0.00 0.09 0.00 0.00 57.88 58.40 1ug7 h LEU 15 Cb 1.34 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.11 1ug7 h LEU 15 CO 0.06 -0.12 1.23 -0.07 0.09 0.00 0.00 178.44 179.63 1ug7 h LEU 16 N -0.56 0.00 0.00 1.67 3.38 -1.51 0.98 115.31 119.27 1ug7 h LEU 16 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ug7 h LEU 16 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ug7 h LEU 16 CO 0.06 0.00 -0.07 -0.61 0.09 0.00 0.00 178.44 177.91 1ug7 h GLN 17 N 0.00 0.00 -1.37 1.13 4.15 -1.56 -3.02 115.11 114.43 1ug7 h GLN 17 Ca 0.70 0.00 0.42 0.00 0.77 0.00 0.00 58.65 60.54 1ug7 h GLN 17 Cb 3.15 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 30.74 1ug7 h GLN 17 CO -0.01 0.00 0.93 0.07 -1.93 0.00 0.00 178.83 177.89 1ug7 h ARG 18 N -0.18 0.10 0.27 1.69 -0.00 0.27 0.83 114.38 117.36 1ug7 h ARG 18 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1ug7 h ARG 18 Cb 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.02 1ug7 h ARG 18 CO 0.00 0.07 -0.13 -1.49 -0.00 0.00 0.00 179.97 178.42 1ug7 h TRP 19 N 0.11 -0.34 -0.42 4.08 6.55 0.77 -2.84 115.95 123.86 1ug7 h TRP 19 Ca 0.76 -0.01 0.12 0.00 0.95 0.00 0.00 58.89 60.71 1ug7 h TRP 19 Cb 2.56 0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 30.96 1ug7 h TRP 19 CO -0.00 -0.21 0.48 0.78 -1.05 0.00 0.00 178.44 178.43 1ug7 h GLY 20 N -0.55 0.00 2.00 1.49 0.00 -0.68 1.45 103.07 106.78 1ug7 h GLY 20 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ug7 h GLY 20 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 1ug7 h ALA 21 N 1.44 1.00 0.00 3.60 0.00 0.66 -2.12 119.26 123.83 1ug7 h ALA 21 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ug7 h ALA 21 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ug7 h ALA 21 CO -0.00 0.00 -0.47 1.03 0.00 0.00 0.00 179.25 179.81 1ug7 h SER 22 N 0.00 0.00 0.01 0.00 0.87 0.22 -3.17 113.55 111.49 1ug7 h SER 22 Ca 0.00 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1ug7 h SER 22 Cb 0.52 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 1ug7 h SER 22 CO 0.00 0.89 -0.51 0.25 -0.53 0.00 0.00 176.83 176.93 1ug7 h LEU 23 N -1.00 -1.57 -0.26 2.23 5.85 -1.48 0.21 115.31 119.30 1ug7 h LEU 23 Ca -0.08 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1ug7 h LEU 23 Cb 0.63 0.60 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1ug7 h LEU 23 CO -0.05 -0.52 -0.34 0.03 -0.34 0.00 0.00 178.44 177.23 1ug7 h ARG 24 N -0.66 -0.22 -1.12 1.25 2.47 -1.58 0.58 114.38 115.09 1ug7 h ARG 24 Ca 0.02 0.02 0.32 0.00 -1.26 0.00 0.00 59.98 59.07 1ug7 h ARG 24 Cb 0.72 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.04 1ug7 h ARG 24 CO -0.34 -0.15 0.79 -0.09 0.56 0.00 0.00 179.97 180.74 1ug7 h ARG 25 N -0.23 0.06 -0.23 0.04 2.43 -1.44 1.03 114.38 116.03 1ug7 h ARG 25 Ca 0.05 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1ug7 h ARG 25 Cb 0.36 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1ug7 h ARG 25 CO -0.37 0.04 -0.21 0.78 -1.51 0.00 0.00 179.97 178.69 1ug7 h GLY 26 N 0.06 0.44 1.08 2.80 0.00 0.34 -2.74 103.07 105.04 1ug7 h GLY 26 Ca 0.55 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.39 1ug7 h GLY 26 CO -0.05 0.31 -0.41 0.00 0.00 0.00 0.00 176.54 176.39 1ug7 h ALA 27 N 1.41 0.48 -0.97 3.60 0.00 0.23 -2.37 119.26 121.64 1ug7 h ALA 27 Ca 0.06 -0.46 0.26 0.00 0.00 0.00 0.00 54.91 54.77 1ug7 h ALA 27 Cb 0.58 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.15 1ug7 h ALA 27 CO 0.04 0.60 0.53 -0.44 0.00 0.00 0.00 179.25 179.97 1ug7 h ASP 28 N 0.62 0.53 0.19 0.00 5.19 -1.11 0.48 116.42 122.32 1ug7 h ASP 28 Ca 0.04 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1ug7 h ASP 28 Cb 1.00 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1ug7 h ASP 28 CO 0.10 0.01 -0.09 -0.26 -3.12 0.00 0.00 179.24 175.88 1ug7 h PHE 29 N 0.46 -0.24 -0.74 4.55 0.04 -1.47 -1.76 116.94 117.78 1ug7 h PHE 29 Ca 0.64 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.58 1ug7 h PHE 29 Cb 1.29 0.08 -0.13 0.00 2.20 0.00 0.00 35.95 39.39 1ug7 h PHE 29 CO -0.05 0.16 0.03 0.22 -0.60 0.00 0.00 178.31 178.07 1ug7 h ASP 30 N -0.90 -0.30 0.00 2.17 3.58 -0.68 1.16 116.42 121.45 1ug7 h ASP 30 Ca -0.03 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1ug7 h ASP 30 Cb 0.50 0.32 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1ug7 h ASP 30 CO 0.04 -0.16 0.00 -1.20 -2.88 0.00 0.00 179.24 175.04 1ug7 n SER 31 N -5.32 0.00 0.00 2.28 7.64 0.15 -3.96 113.62 114.42 1ug7 n SER 31 Ca 0.13 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1ug7 n SER 31 Cb 0.47 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1ug7 n SER 31 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1ug7 n TRP 32 N -1.96 0.00 0.00 1.43 8.01 -0.66 -4.87 117.44 119.39 1ug7 n TRP 32 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ug7 n TRP 32 Cb 0.00 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 28.99 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 -0.93 0.00 2.58 6.99 0.00 0.35 -5.06 105.19 109.12 1ug7 n GLY 33 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.17 -0.32 1.61 6.02 0.15 -4.83 117.38 123.18 1ug7 n GLN 34 Ca 0.00 -4.07 -0.03 0.00 -0.01 0.00 0.00 57.00 52.89 1ug7 n GLN 34 Cb 0.00 -2.26 0.03 0.00 1.02 0.00 0.00 30.24 29.03 1ug7 n GLN 34 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1ug7 h LEU 35 N 2.66 -1.34 0.00 1.08 3.38 -1.89 0.32 115.31 119.51 1ug7 h LEU 35 Ca 0.42 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.67 1ug7 h LEU 35 Cb 0.66 0.69 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1ug7 h LEU 35 CO 1.09 -0.29 0.00 0.55 0.09 0.00 0.00 178.44 179.87 1ug7 n VAL 36 N -5.46 0.00 -0.30 1.22 3.14 -1.26 0.30 118.33 115.98 1ug7 n VAL 36 Ca 0.08 1.36 0.12 0.00 -2.96 0.00 0.00 64.34 62.94 1ug7 n VAL 36 Cb 0.38 -1.87 0.29 0.00 -1.06 0.00 0.00 33.84 31.58 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 0.37 -0.19 1.45 5.08 -1.68 0.29 114.58 119.89 1ug7 h GLU 37 Ca 0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1ug7 h GLU 37 Cb 0.00 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 1ug7 h GLU 37 CO 0.00 0.24 -0.41 0.00 -1.00 0.00 0.00 179.01 177.84 1ug7 h ALA 38 N 1.70 -0.53 -0.22 3.43 0.00 0.32 0.48 119.26 124.43 1ug7 h ALA 38 Ca 0.54 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.52 1ug7 h ALA 38 Cb 1.01 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 19.52 1ug7 h ALA 38 CO -0.53 -0.90 -0.31 0.82 0.00 0.00 0.00 179.25 178.33 1ug7 h ILE 39 N -0.45 0.28 -0.28 0.00 2.04 0.19 0.20 117.51 119.50 1ug7 h ILE 39 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1ug7 h ILE 39 Cb 0.61 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 1ug7 h ILE 39 CO -0.43 0.00 -0.34 0.44 0.00 0.00 0.00 178.15 177.82 1ug7 h ASP 40 N -0.34 -1.11 0.01 1.72 5.19 -0.49 0.27 116.42 121.67 1ug7 h ASP 40 Ca 0.12 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1ug7 h ASP 40 Cb 0.53 0.49 -0.00 0.00 0.18 0.00 0.00 39.33 40.53 1ug7 h ASP 40 CO -0.41 -0.35 -0.04 -0.08 -3.12 0.00 0.00 179.24 175.24 1ug7 h GLU 41 N -0.33 -0.06 -0.31 3.56 4.22 0.10 0.30 114.58 122.06 1ug7 h GLU 41 Ca 0.13 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.61 1ug7 h GLU 41 Cb 0.55 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1ug7 h GLU 41 CO -0.46 -0.04 -0.24 1.88 -2.18 0.00 0.00 179.01 177.97 1ug7 h TYR 42 N -0.06 -0.77 -0.68 0.92 0.05 -0.39 0.12 116.97 116.16 1ug7 h TYR 42 Ca -0.00 0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.89 1ug7 h TYR 42 Cb 0.06 0.38 -0.10 0.00 1.01 0.00 0.00 36.73 38.08 1ug7 h TYR 42 CO -0.31 -0.18 -0.56 1.96 -1.05 0.00 0.00 178.16 178.03 1ug7 h GLN 43 N -0.08 -0.19 -0.51 4.88 4.20 -0.39 0.70 115.11 123.72 1ug7 h GLN 43 Ca 0.05 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1ug7 h GLN 43 Cb 0.21 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.96 1ug7 h GLN 43 CO -0.33 -0.13 -0.45 0.82 -0.67 0.00 0.00 178.83 178.07 1ug7 h ILE 44 N -0.20 0.00 -0.99 2.54 5.03 0.62 0.97 117.51 125.49 1ug7 h ILE 44 Ca 0.11 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 65.05 1ug7 h ILE 44 Cb 0.49 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.18 1ug7 h ILE 44 CO -0.74 0.00 0.62 0.25 -0.68 0.00 0.00 178.15 177.59 1ug7 h LEU 45 N -0.18 0.67 0.50 1.44 5.85 0.69 0.33 115.31 124.60 1ug7 h LEU 45 Ca 0.09 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1ug7 h LEU 45 Cb 0.41 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1ug7 h LEU 45 CO -0.58 0.23 -0.25 0.00 -0.34 0.00 0.00 178.44 177.50 1ug7 h ALA 46 N 1.63 -0.69 0.00 1.25 0.00 0.68 0.41 119.26 122.55 1ug7 h ALA 46 Ca 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ug7 h ALA 46 Cb 1.02 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ug7 h ALA 46 CO -0.33 -0.89 -0.01 0.00 0.00 0.00 0.00 179.25 178.02 1ug7 h ARG 47 N -0.69 0.00 -0.04 0.00 -0.00 0.20 -0.61 114.38 113.25 1ug7 h ARG 47 Ca -0.07 0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.18 1ug7 h ARG 47 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.51 1ug7 h ARG 47 CO 0.11 0.01 -0.92 0.45 0.00 0.00 0.00 179.97 179.62 1ug7 h HIS 48 N 0.00 0.80 -0.02 3.04 3.86 0.45 -3.02 115.15 120.27 1ug7 h HIS 48 Ca -0.00 -0.41 0.02 0.00 -1.16 0.00 0.00 60.37 58.82 1ug7 h HIS 48 Cb 0.03 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1ug7 h HIS 48 CO 0.00 1.23 -0.08 -0.07 0.86 0.00 0.00 177.93 179.86 1ug7 h LEU 49 N 0.33 -0.25 -0.77 2.43 3.38 0.14 -2.02 115.31 118.55 1ug7 h LEU 49 Ca -0.08 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1ug7 h LEU 49 Cb 1.55 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.32 1ug7 h LEU 49 CO 0.17 -0.12 0.37 1.56 0.09 0.00 0.00 178.44 180.51 1ug7 h GLN 50 N -0.14 0.56 -1.62 1.13 4.20 -1.49 0.97 115.11 118.72 1ug7 h GLN 50 Ca 0.04 -0.03 0.50 0.00 0.06 0.00 0.00 58.65 59.21 1ug7 h GLN 50 Cb 0.19 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 27.75 1ug7 h GLN 50 CO -0.10 0.37 1.13 1.17 -0.67 0.00 0.00 178.83 180.74 1ug7 n LYS 51 N -4.89 -0.01 -0.07 1.46 3.00 -0.76 0.19 118.16 117.08 1ug7 n LYS 51 Ca 0.14 1.05 -0.20 0.00 -0.00 0.00 0.00 58.31 59.30 1ug7 n LYS 51 Cb 0.36 -2.29 -0.13 0.00 0.00 0.00 0.00 35.03 32.98 1ug7 n LYS 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ug7 n GLU 52 N -4.04 0.70 0.27 1.64 1.02 0.26 -2.89 120.64 117.60 1ug7 n GLU 52 Ca 0.40 0.22 0.10 0.00 -0.02 0.00 0.00 57.16 57.86 1ug7 n GLU 52 Cb 1.71 -1.61 0.73 0.00 -0.02 0.00 0.00 31.44 32.25 1ug7 n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ug7 h ALA 53 N -0.01 1.84 -0.26 0.62 0.00 0.26 -1.17 119.26 120.55 1ug7 h ALA 53 Ca -0.51 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 1ug7 h ALA 53 Cb 1.94 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.59 1ug7 h ALA 53 CO -0.02 0.00 -0.52 0.00 0.00 0.00 0.00 179.25 178.71 1ug7 n GLN 54 N -4.31 2.18 -1.62 0.00 10.64 0.51 -4.52 117.38 120.25 1ug7 n GLN 54 Ca -0.03 -3.53 -0.61 0.00 -1.83 0.00 0.00 57.00 51.00 1ug7 n GLN 54 Cb 0.09 -1.83 -0.09 0.00 -0.86 0.00 0.00 30.24 27.55 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 -1.01 -0.44 -1.69 2.61 0.00 -0.44 -4.70 120.51 114.84 1ug7 n ALA 55 Ca 0.28 0.35 -0.57 0.00 0.00 0.00 0.00 53.44 53.50 1ug7 n ALA 55 Cb 0.80 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1ug7 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug7 n GLN 56 N 5.51 1.05 -4.41 0.00 10.64 -1.26 0.12 117.38 129.02 1ug7 n GLN 56 Ca 0.35 0.38 -0.38 0.00 -1.83 0.00 0.00 57.00 55.52 1ug7 n GLN 56 Cb 0.04 -2.04 -0.08 0.00 -0.86 0.00 0.00 30.24 27.30 1ug7 n GLN 56 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1ug7 n HIS 57 N 4.69 -1.29 -3.13 2.61 8.25 -1.26 -2.34 115.22 122.74 1ug7 n HIS 57 Ca 0.25 0.69 -0.07 0.00 -0.26 0.00 0.00 57.72 58.33 1ug7 n HIS 57 Cb 0.13 -2.36 0.01 0.00 1.12 0.00 0.00 29.99 28.88 1ug7 n HIS 57 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ug7 n ASN 58 N -2.63 -6.76 -3.20 0.41 5.15 0.12 -4.94 115.26 103.41 1ug7 n ASN 58 Ca -0.03 0.53 -0.24 0.00 -0.60 0.00 0.00 54.58 54.23 1ug7 n ASN 58 Cb 0.54 -2.51 -0.06 0.00 -0.53 0.00 0.00 39.78 37.22 1ug7 n ASN 58 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1ug7 n ASN 59 N 0.87 2.43 -3.55 1.20 2.85 -0.99 -4.86 115.26 113.21 1ug7 n ASN 59 Ca -0.01 -3.22 -0.09 0.00 -0.11 0.00 0.00 54.58 51.15 1ug7 n ASN 59 Cb 0.43 -0.63 -0.02 0.00 1.24 0.00 0.00 39.78 40.80 1ug7 n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1ug7 s SER 60 N -2.39 0.03 -0.30 1.20 0.15 -1.26 -4.89 113.70 106.25 1ug7 s SER 60 Ca 0.41 -0.97 0.11 0.00 0.70 0.00 0.00 55.95 56.19 1ug7 s SER 60 Cb 0.23 0.71 0.64 0.00 -1.71 0.00 0.00 66.02 65.89 1ug7 s SER 60 CO -0.08 -1.38 1.66 -0.62 1.20 0.00 0.00 173.24 174.02 1ug7 n GLU 61 N -0.47 2.99 -4.15 5.44 4.71 -1.26 -4.96 120.64 122.93 1ug7 n GLU 61 Ca -0.04 -3.05 -0.31 0.00 -0.01 0.00 0.00 57.16 53.75 1ug7 n GLU 61 Cb 0.60 -2.05 -0.08 0.00 -1.01 0.00 0.00 31.44 28.91 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1ug7 s PHE 62 N -3.05 3.04 0.29 -0.32 0.40 -1.26 -4.21 117.98 112.87 1ug7 s PHE 62 Ca 0.50 0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.82 1ug7 s PHE 62 Cb 0.42 -1.58 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 1ug7 s PHE 62 CO 0.09 0.48 0.53 -0.08 0.70 0.00 0.00 175.22 176.94 1ug7 s THR 63 N -1.27 5.08 0.18 0.64 -1.32 -1.26 -4.83 115.64 112.85 1ug7 s THR 63 Ca 0.25 -0.14 -0.23 0.00 -1.21 0.00 0.00 61.69 60.36 1ug7 s THR 63 Cb -0.12 -3.76 0.08 0.00 -1.51 0.00 0.00 72.50 67.19 1ug7 s THR 63 CO 0.17 -0.36 1.58 -0.33 -2.21 0.00 0.00 174.62 173.47 1ug7 h GLU 64 N 1.50 -0.19 -1.06 7.08 4.39 -2.00 1.05 114.58 125.36 1ug7 h GLU 64 Ca -0.48 0.01 0.29 0.00 0.34 0.00 0.00 59.36 59.52 1ug7 h GLU 64 Cb 1.20 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.81 1ug7 h GLU 64 CO 0.65 -0.13 0.72 0.93 -1.16 0.00 0.00 179.01 180.02 1ug7 h GLU 65 N -0.20 0.24 0.02 2.33 5.08 -1.97 1.40 114.58 121.49 1ug7 h GLU 65 Ca 0.21 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1ug7 h GLU 65 Cb 0.56 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ug7 h GLU 65 CO -0.69 0.16 -0.13 1.96 -1.00 0.00 0.00 179.01 179.31 1ug7 h GLN 66 N 0.25 0.05 0.47 2.33 4.20 0.40 -3.23 115.11 119.57 1ug7 h GLN 66 Ca 0.57 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 59.18 1ug7 h GLN 66 Cb 1.73 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.54 1ug7 h GLN 66 CO -0.19 1.03 -0.25 0.87 -0.67 0.00 0.00 178.83 179.63 1ug7 h LYS 67 N -0.89 -0.64 -1.52 1.46 1.57 0.26 0.17 116.57 116.97 1ug7 h LYS 67 Ca -0.02 0.04 0.45 0.00 -1.87 0.00 0.00 60.65 59.25 1ug7 h LYS 67 Cb 1.10 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 33.48 1ug7 h LYS 67 CO 0.02 -0.43 1.08 1.57 -0.57 0.00 0.00 179.45 181.13 1ug7 h LYS 68 N -0.66 0.03 0.20 3.15 5.09 0.16 1.28 116.57 125.82 1ug7 h LYS 68 Ca -0.06 -0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.36 1ug7 h LYS 68 Cb 0.53 -0.01 0.02 0.00 0.10 0.00 0.00 32.23 32.87 1ug7 h LYS 68 CO 0.08 0.02 -1.47 1.15 -2.09 0.00 0.00 179.45 177.15 1ug7 h THR 69 N 0.03 1.17 -0.75 0.07 2.02 -1.23 -3.02 112.91 111.21 1ug7 h THR 69 Ca 0.76 -2.58 0.14 0.00 0.77 0.00 0.00 66.41 65.50 1ug7 h THR 69 Cb 2.89 2.94 -0.10 0.00 -1.74 0.00 0.00 68.15 72.15 1ug7 h THR 69 CO -0.09 0.80 0.28 0.40 0.37 0.00 0.00 175.52 177.29 1ug7 h ILE 70 N 0.01 0.64 0.11 3.11 2.04 0.45 -0.11 117.51 123.75 1ug7 h ILE 70 Ca -0.28 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1ug7 h ILE 70 Cb 2.03 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1ug7 h ILE 70 CO 0.20 0.08 -0.05 1.23 0.00 0.00 0.00 178.15 179.60 1ug7 h GLY 71 N 0.42 -0.16 -0.42 5.37 0.00 -1.23 -3.07 103.07 103.99 1ug7 h GLY 71 Ca 0.41 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.90 1ug7 h GLY 71 CO -0.41 -0.06 -0.35 0.50 0.00 0.00 0.00 176.54 176.22 1ug7 h LYS 72 N -0.44 -0.17 -0.82 4.80 1.57 -1.15 0.27 116.57 120.62 1ug7 h LYS 72 Ca -0.02 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.93 1ug7 h LYS 72 Cb 0.36 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.56 1ug7 h LYS 72 CO 0.03 -0.12 -0.26 0.82 -0.57 0.00 0.00 179.45 179.35 1ug7 h ILE 73 N -0.18 0.13 0.09 1.86 2.04 -1.02 0.31 117.51 120.73 1ug7 h ILE 73 Ca 0.22 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.10 1ug7 h ILE 73 Cb 0.55 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1ug7 h ILE 73 CO -0.67 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.20 1ug7 h ALA 74 N 1.63 -0.46 -0.89 1.87 0.00 -0.44 -2.02 119.26 118.94 1ug7 h ALA 74 Ca 0.37 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.40 1ug7 h ALA 74 Cb 0.60 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 18.71 1ug7 h ALA 74 CO -0.86 -0.81 -0.29 2.41 0.00 0.00 0.00 179.25 179.71 1ug7 n THR 75 N -5.39 -0.42 0.04 0.00 -1.04 0.10 0.13 114.28 107.70 1ug7 n THR 75 Ca -0.06 2.07 -0.11 0.00 -2.04 0.00 0.00 64.05 63.91 1ug7 n THR 75 Cb 0.30 -2.80 -0.04 0.00 -1.82 0.00 0.00 70.33 65.98 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 -5.38 -0.84 -0.33 0.00 4.77 0.36 0.12 117.00 115.70 1ug7 n LEU 77 Ca -0.04 1.62 0.19 0.00 -0.03 0.00 0.00 56.01 57.74 1ug7 n LEU 77 Cb 0.29 -0.29 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 1ug7 n LEU 77 CO 0.20 -1.25 0.88 -0.33 -1.33 0.00 0.00 177.39 175.56 1ug7 h GLU 78 N 0.00 0.03 -0.14 3.23 4.39 -0.76 1.32 114.58 122.65 1ug7 h GLU 78 Ca 0.13 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ug7 h GLU 78 Cb 0.33 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1ug7 h GLU 78 CO -0.75 0.02 0.05 -0.07 -1.16 0.00 0.00 179.01 177.10 1ug7 h LEU 79 N 0.03 0.20 0.84 1.33 4.07 0.13 -1.12 115.31 120.79 1ug7 h LEU 79 Ca 0.66 -0.18 -0.04 0.00 0.08 0.00 0.00 57.88 58.39 1ug7 h LEU 79 Cb 1.48 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 43.17 1ug7 h LEU 79 CO -0.86 0.33 -0.41 -0.09 -1.08 0.00 0.00 178.44 176.34 1ug7 h ARG 80 N 0.06 -1.09 -0.80 1.13 9.65 0.39 0.54 114.38 124.27 1ug7 h ARG 80 Ca 0.05 0.07 0.16 0.00 -1.10 0.00 0.00 59.98 59.16 1ug7 h ARG 80 Cb 0.20 0.25 -0.15 0.00 -1.39 0.00 0.00 29.97 28.87 1ug7 h ARG 80 CO -0.00 -0.72 -0.21 0.77 2.80 0.00 0.00 179.97 182.61 1ug7 h SER 81 N -1.22 -0.77 -0.14 -3.80 0.02 0.11 0.33 113.55 108.07 1ug7 h SER 81 Ca -0.12 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1ug7 h SER 81 Cb 0.88 0.50 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1ug7 h SER 81 CO 0.19 -0.27 0.04 0.00 -1.14 0.00 0.00 176.83 175.65 1ug7 h ALA 82 N 1.77 0.18 -0.94 3.77 0.00 -1.07 -2.68 119.26 120.30 1ug7 h ALA 82 Ca 0.38 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.42 1ug7 h ALA 82 Cb 0.58 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.15 1ug7 h ALA 82 CO -0.82 -0.19 0.12 0.00 0.00 0.00 0.00 179.25 178.36 1ug7 h ALA 83 N 0.84 1.24 0.35 0.00 0.00 0.39 1.22 119.26 123.30 1ug7 h ALA 83 Ca 0.04 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1ug7 h ALA 83 Cb 0.24 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ug7 h ALA 83 CO -0.00 -0.56 -0.18 -0.07 0.00 0.00 0.00 179.25 178.44 1ug7 h LEU 84 N 0.07 -0.44 -1.31 0.00 3.38 -0.74 -2.31 115.31 113.96 1ug7 h LEU 84 Ca 0.59 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.63 1ug7 h LEU 84 Cb 1.23 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 1ug7 h LEU 84 CO -0.82 -0.30 0.50 1.56 0.09 0.00 0.00 178.44 179.47 1ug7 h GLN 85 N -0.49 0.85 -6.51 1.13 4.20 0.43 -3.41 115.11 111.31 1ug7 h GLN 85 Ca -0.04 -0.05 -0.53 0.00 0.06 0.00 0.00 58.65 58.08 1ug7 h GLN 85 Cb 0.39 -0.19 0.02 0.00 0.30 0.00 0.00 27.48 27.99 1ug7 h GLN 85 CO 0.07 0.56 0.70 -1.12 -0.67 0.00 0.00 178.83 178.37 1ug7 s SER 86 N -6.21 6.89 0.13 1.46 0.01 0.36 -5.02 113.70 111.32 1ug7 s SER 86 Ca -0.10 2.23 0.06 0.00 1.31 0.00 0.00 55.95 59.45 1ug7 s SER 86 Cb 0.19 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1ug7 s SER 86 CO 0.78 -0.62 -0.15 0.28 0.41 0.00 0.00 173.24 173.94 1ug7 s THR 87 N 1.23 1.41 0.00 1.44 -1.32 -1.26 -4.78 115.64 112.35 1ug7 s THR 87 Ca 0.63 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.38 1ug7 s THR 87 Cb -0.35 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 1ug7 s THR 87 CO 0.30 -0.38 0.00 0.00 -2.21 0.00 0.00 174.62 172.32 1ug7 n GLN 88 N 0.54 0.00 -3.50 7.08 6.02 -1.26 -4.58 117.38 121.68 1ug7 n GLN 88 Ca -0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.42 1ug7 n GLN 88 Cb 0.57 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.78 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ug7 s SER 89 N 0.00 6.35 -0.17 1.08 0.15 -1.26 -5.02 113.70 114.83 1ug7 s SER 89 Ca 0.00 -3.21 -0.01 0.00 0.70 0.00 0.00 55.95 53.43 1ug7 s SER 89 Cb 0.00 -2.05 -0.00 0.00 -1.71 0.00 0.00 66.02 62.25 1ug7 s SER 89 CO 0.00 -0.36 -0.13 -1.58 1.20 0.00 0.00 173.24 172.37 1ug7 s GLN 90 N -0.61 3.27 0.00 5.44 0.74 -1.26 -4.93 119.66 122.30 1ug7 s GLN 90 Ca 0.23 -0.71 0.05 0.00 0.05 0.00 0.00 55.36 54.97 1ug7 s GLN 90 Cb -0.12 -2.71 0.08 0.00 1.10 0.00 0.00 33.01 31.36 1ug7 s GLN 90 CO -0.08 -0.02 0.88 -1.91 -0.55 0.00 0.00 175.29 173.61 1ug7 n GLU 91 N 4.18 0.00 0.00 1.67 2.13 -1.26 -5.11 120.64 122.25 1ug7 n GLU 91 Ca -0.19 -0.88 0.00 0.00 0.66 0.00 0.00 57.16 56.75 1ug7 n GLU 91 Cb 0.52 0.13 0.00 0.00 0.27 0.00 0.00 31.44 32.36 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 0.09 3.49 -2.43 5.31 -0.58 -1.26 -5.06 120.64 120.21 1ug7 n GLU 92 Ca -0.10 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.29 1ug7 n GLU 92 Cb 0.72 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.57 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1ug7 s PHE 93 N 2.94 2.94 0.00 -0.32 5.36 -1.26 -5.03 117.98 122.62 1ug7 s PHE 93 Ca 0.00 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 1ug7 s PHE 93 Cb 0.00 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1ug7 s PHE 93 CO 0.00 -1.08 0.00 0.36 -1.46 0.00 0.00 175.22 173.04 1ug7 n LYS 94 N -0.82 1.30 -0.04 10.12 2.85 -1.26 -4.57 118.16 125.74 1ug7 n LYS 94 Ca 0.09 -0.01 -0.07 0.00 -1.05 0.00 0.00 58.31 57.26 1ug7 n LYS 94 Cb 0.51 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.83 1ug7 n LYS 94 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1ug7 h LEU 95 N 0.00 -0.04 -0.54 -5.58 5.85 -1.98 -2.73 115.31 110.30 1ug7 h LEU 95 Ca -0.00 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.38 1ug7 h LEU 95 Cb 0.00 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 1ug7 h LEU 95 CO 0.00 0.66 -0.17 1.05 -0.34 0.00 0.00 178.44 179.64 1ug7 h GLU 96 N -0.98 -0.05 -0.13 1.25 4.11 -1.97 1.27 114.58 118.08 1ug7 h GLU 96 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ug7 h GLU 96 Cb 0.48 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ug7 h GLU 96 CO 0.01 -0.03 0.07 -0.44 0.07 0.00 0.00 179.01 178.69 1ug7 h ASP 97 N -0.05 0.16 0.27 3.06 3.32 -1.98 0.29 116.42 121.49 1ug7 h ASP 97 Ca 0.25 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1ug7 h ASP 97 Cb 0.44 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1ug7 h ASP 97 CO -0.58 0.13 -0.13 0.25 -1.72 0.00 0.00 179.24 177.20 1ug7 h LEU 98 N 0.18 -0.31 -1.93 1.55 5.85 0.76 -3.08 115.31 118.33 1ug7 h LEU 98 Ca 0.05 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1ug7 h LEU 98 Cb 0.01 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1ug7 h LEU 98 CO -0.01 0.17 0.10 0.11 -0.34 0.00 0.00 178.44 178.47 1ug7 h LYS 99 N -1.04 0.00 0.00 1.25 6.56 0.15 0.41 116.57 123.89 1ug7 h LYS 99 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1ug7 h LYS 99 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1ug7 h LYS 99 CO 0.06 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.08 1ug7 n LYS 100 N -2.58 0.04 0.00 3.15 5.02 0.98 -0.20 118.16 124.56 1ug7 n LYS 100 Ca -0.02 0.38 0.11 0.00 -2.02 0.00 0.00 58.31 56.76 1ug7 n LYS 100 Cb 0.14 -1.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.67 1.69 -0.06 -0.35 4.77 0.14 -4.08 117.00 117.44 1ug7 n LEU 101 Ca 0.02 -0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 55.26 1ug7 n LEU 101 Cb 0.12 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1ug7 n LEU 101 CO 0.10 0.33 0.92 -0.08 -1.33 0.00 0.00 177.39 177.33 1ug7 h GLU 102 N 1.78 0.30 -0.02 3.23 4.22 -0.69 -1.65 114.58 121.74 1ug7 h GLU 102 Ca 0.00 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.31 1ug7 h GLU 102 Cb 0.67 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ug7 h GLU 102 CO 0.00 0.27 -0.38 -1.00 -2.18 0.00 0.00 179.01 175.72 1ug7 h PRO 103 N 0.24 0.29 -0.66 0.92 0.13 -1.75 -3.02 132.00 128.16 1ug7 h PRO 103 Ca 0.08 -0.29 0.12 0.00 -0.87 0.00 0.00 66.00 65.04 1ug7 h PRO 103 Cb 0.06 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 31.14 1ug7 h PRO 103 CO -0.01 0.97 -0.25 0.82 -0.23 0.00 0.00 178.00 179.30 1ug7 h ILE 104 N -0.27 0.23 -0.04 -3.56 2.04 -1.70 2.23 117.51 116.44 1ug7 h ILE 104 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1ug7 h ILE 104 Cb 1.09 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1ug7 h ILE 104 CO 0.08 0.00 0.02 -0.07 0.00 0.00 0.00 178.15 178.18 1ug7 h LEU 105 N -0.08 0.04 0.00 1.44 3.38 -1.37 1.08 115.31 119.82 1ug7 h LEU 105 Ca 0.29 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1ug7 h LEU 105 Cb 0.53 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ug7 h LEU 105 CO -0.71 0.04 -0.22 0.11 0.09 0.00 0.00 178.44 177.75 1ug7 h LYS 106 N 0.05 0.14 -0.86 1.13 1.79 0.23 -3.17 116.57 115.88 1ug7 h LYS 106 Ca 0.01 -0.16 -0.11 0.00 -2.18 0.00 0.00 60.65 58.21 1ug7 h LYS 106 Cb 0.00 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.63 1ug7 h LYS 106 CO -0.00 0.92 0.14 0.09 -1.08 0.00 0.00 179.45 179.52 1ug7 n ASN 107 N -4.53 3.54 -0.34 0.86 3.02 0.63 -4.33 115.26 114.12 1ug7 n ASN 107 Ca -0.10 -2.66 0.10 0.00 -0.03 0.00 0.00 54.58 51.89 1ug7 n ASN 107 Cb 0.50 -0.64 0.30 0.00 -0.61 0.00 0.00 39.78 39.34 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 1.55 0.83 -0.03 2.41 1.08 0.12 0.84 117.51 124.32 1ug7 h ILE 108 Ca 0.14 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1ug7 h ILE 108 Cb 1.61 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1ug7 h ILE 108 CO 0.41 0.15 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.89 1ug7 h LEU 109 N 0.84 0.10 -3.44 1.44 3.38 -1.84 -3.12 115.31 112.68 1ug7 h LEU 109 Ca 0.51 -0.56 -0.37 0.00 0.09 0.00 0.00 57.88 57.55 1ug7 h LEU 109 Cb 0.68 -0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.23 1ug7 h LEU 109 CO -0.28 0.64 0.47 1.07 0.09 0.00 0.00 178.44 180.44 1ug7 n THR 110 N -4.74 2.73 -3.42 0.22 5.66 -0.41 -4.91 114.28 109.41 1ug7 n THR 110 Ca -0.08 -1.64 -0.38 0.00 -3.05 0.00 0.00 64.05 58.90 1ug7 n THR 110 Cb 0.32 -1.06 -0.06 0.00 -1.55 0.00 0.00 70.33 67.97 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 -2.16 3.62 0.00 1.09 5.04 0.28 -4.95 117.35 120.27 1ug7 s TYR 111 Ca 0.37 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 55.92 1ug7 s TYR 111 Cb 0.30 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 40.20 1ug7 s TYR 111 CO 0.02 0.41 0.00 0.09 -1.34 0.00 0.00 175.55 174.73 1ug7 n ASN 112 N 2.74 0.00 0.00 4.32 3.02 -1.26 -4.98 115.26 119.10 1ug7 n ASN 112 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1ug7 n ASN 112 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ug7 n LYS 113 N -0.02 -0.99 0.00 3.52 5.02 -1.26 -4.99 118.16 119.44 1ug7 n LYS 113 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ug7 n LYS 113 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ug7 n GLU 114 N 0.00 0.00 -1.11 1.97 2.13 -1.26 -4.89 120.64 117.48 1ug7 n GLU 114 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ug7 n GLU 114 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ug7 n PHE 115 N 0.00 -3.04 1.50 4.31 7.35 -1.26 -4.51 117.46 121.81 1ug7 n PHE 115 Ca 0.00 1.64 0.11 0.00 -0.76 0.00 0.00 57.45 58.45 1ug7 n PHE 115 Cb 0.00 -2.70 0.66 0.00 0.35 0.00 0.00 39.48 37.78 1ug7 n PHE 115 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ug7 n PRO 116 N -2.11 0.75 -4.07 -7.13 -0.04 -1.26 -4.79 135.00 116.35 1ug7 n PRO 116 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1ug7 n PRO 116 Cb 0.30 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1ug7 n PRO 116 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ug7 s PHE 117 N -2.00 0.70 -0.46 0.54 0.08 -1.26 -5.12 117.98 110.46 1ug7 s PHE 117 Ca 0.33 -1.00 0.03 0.00 0.12 0.00 0.00 56.93 56.41 1ug7 s PHE 117 Cb 0.15 -0.05 0.14 0.00 -0.57 0.00 0.00 43.02 42.70 1ug7 s PHE 117 CO 0.26 -0.94 0.27 -0.51 -0.10 0.00 0.00 175.22 174.19 1ug7 s ASP 118 N -3.10 3.64 -0.08 1.36 1.01 -1.26 -5.02 116.67 113.21 1ug7 s ASP 118 Ca 0.28 -2.78 0.00 0.00 0.71 0.00 0.00 52.55 50.77 1ug7 s ASP 118 Cb 0.01 -1.08 0.02 0.00 1.01 0.00 0.00 42.92 42.89 1ug7 s ASP 118 CO 0.12 -0.24 -0.07 0.68 0.21 0.00 0.00 175.17 175.87 1ug7 s VAL 119 N 0.15 0.84 -0.41 -1.27 -7.23 -1.26 -5.09 120.40 106.14 1ug7 s VAL 119 Ca 0.19 -0.22 -0.42 0.00 -1.81 0.00 0.00 61.98 59.72 1ug7 s VAL 119 Cb -0.21 -0.86 -0.18 0.00 0.56 0.00 0.00 36.38 35.69 1ug7 s VAL 119 CO -0.02 0.32 1.41 0.00 -0.31 0.00 0.00 175.10 176.50 1ug7 n GLN 120 N 4.58 0.00 -2.46 4.82 6.02 -1.26 -4.81 117.38 124.28 1ug7 n GLN 120 Ca -0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.41 1ug7 n GLN 120 Cb 0.50 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.36 1ug7 n GLN 120 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1ug7 s PRO 121 N 2.44 4.42 0.00 -1.09 0.04 -1.26 -4.80 135.00 134.75 1ug7 s PRO 121 Ca 0.95 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1ug7 s PRO 121 Cb -1.35 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1ug7 s PRO 121 CO 0.73 -0.29 0.00 -0.89 0.04 0.00 0.00 177.00 176.58 1ug7 n ILE 122 N 4.13 0.00 0.00 0.56 5.41 -1.26 -4.62 119.36 123.58 1ug7 n ILE 122 Ca 0.09 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1ug7 n ILE 122 Cb 0.47 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.50 1ug7 n ILE 122 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ug7 n SER 123 N 0.00 0.00 -2.01 4.38 7.64 -1.26 -4.80 113.62 117.57 1ug7 n SER 123 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ug7 n SER 123 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ug7 n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug7 n GLY 124 N 0.00 -0.33 3.74 0.23 0.00 -1.26 -3.87 105.19 103.69 1ug7 n GLY 124 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.62 4.59 -0.37 1.61 0.04 -1.26 -4.95 135.00 132.04 1ug7 s PRO 125 Ca 0.00 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1ug7 s PRO 125 Cb 0.00 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 1ug7 s PRO 125 CO 0.00 0.08 1.86 0.45 0.04 0.00 0.00 177.00 179.44 1ug7 s SER 126 N -0.23 5.70 -0.72 6.66 0.15 -1.26 -4.90 113.70 119.10 1ug7 s SER 126 Ca 0.49 1.18 -0.26 0.00 0.70 0.00 0.00 55.95 58.06 1ug7 s SER 126 Cb -0.30 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.48 1ug7 s SER 126 CO 0.36 -1.88 1.71 -0.44 1.20 0.00 0.00 173.24 174.19 1ug7 s SER 127 N 6.81 5.55 0.00 5.45 0.01 -1.26 -5.27 113.70 124.99 1ug7 s SER 127 Ca 0.80 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1ug7 s SER 127 Cb -0.21 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1ug7 s SER 127 CO 0.31 -2.25 0.00 0.61 0.41 0.00 0.00 173.24 172.33