#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 -7.87 0.17 1.61 3.41 -1.26 -5.00 113.62 104.68 1ug7 n SER 2 Ca 0.00 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1ug7 n SER 2 Cb 0.00 -4.42 0.00 0.00 -0.26 0.00 0.00 64.21 59.53 1ug7 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ug7 n SER 3 N -4.32 -1.06 -4.46 4.04 3.41 -1.26 -5.06 113.62 104.91 1ug7 n SER 3 Ca -0.04 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 1ug7 n SER 3 Cb 0.67 1.18 -0.10 0.00 -0.26 0.00 0.00 64.21 65.69 1ug7 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ug7 s GLY 4 N -4.37 1.99 -0.26 5.00 0.00 -1.26 -5.05 107.32 103.37 1ug7 s GLY 4 Ca 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 44.72 43.02 1ug7 s GLY 4 CO 0.00 0.88 0.02 -0.45 0.00 0.00 0.00 173.10 173.54 1ug7 s SER 5 N 1.67 4.74 -0.30 1.64 0.15 -1.26 -5.06 113.70 115.27 1ug7 s SER 5 Ca 0.05 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.15 1ug7 s SER 5 Cb -0.19 -1.81 0.09 0.00 -1.71 0.00 0.00 66.02 62.40 1ug7 s SER 5 CO 0.10 -0.11 0.03 -0.55 1.20 0.00 0.00 173.24 173.91 1ug7 s SER 6 N 1.48 4.33 -1.26 5.45 0.15 -1.26 -4.74 113.70 117.85 1ug7 s SER 6 Ca 0.04 -1.74 -0.12 0.00 0.70 0.00 0.00 55.95 54.83 1ug7 s SER 6 Cb -0.16 -1.31 0.16 0.00 -1.71 0.00 0.00 66.02 63.00 1ug7 s SER 6 CO -0.00 -0.34 1.72 0.61 1.20 0.00 0.00 173.24 176.42 1ug7 n GLY 7 N 4.52 4.12 3.12 9.45 0.00 -1.25 -4.93 105.19 120.22 1ug7 n GLY 7 Ca -0.03 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1ug7 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ug7 s MET 8 N 1.14 2.87 -0.22 1.61 1.75 -1.26 -4.82 119.30 120.37 1ug7 s MET 8 Ca 0.42 -0.91 0.04 0.00 -1.25 0.00 0.00 55.69 53.98 1ug7 s MET 8 Cb 0.05 -2.63 -0.16 0.00 2.84 0.00 0.00 34.83 34.93 1ug7 s MET 8 CO 0.00 -0.27 -0.16 0.45 -0.65 0.00 0.00 175.02 174.39 1ug7 n SER 9 N 4.59 2.06 0.00 1.11 2.88 -1.26 -5.00 113.62 118.00 1ug7 n SER 9 Ca -0.20 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 1ug7 n SER 9 Cb 0.49 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 -3.08 0.00 -0.09 -1.46 2.13 -1.26 -4.96 120.64 111.92 1ug7 n GLU 10 Ca -0.38 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.32 1ug7 n GLU 10 Cb 0.94 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.50 1ug7 n GLU 10 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1ug7 n VAL 11 N 0.00 1.44 -0.23 6.31 0.24 -1.26 -4.38 118.33 120.45 1ug7 n VAL 11 Ca 0.00 -0.80 0.03 0.00 -2.04 0.00 0.00 64.34 61.53 1ug7 n VAL 11 Cb 0.00 -0.73 0.12 0.00 -1.47 0.00 0.00 33.84 31.76 1ug7 n VAL 11 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1ug7 h THR 12 N 0.00 0.39 -0.87 3.34 2.02 -1.93 0.60 112.91 116.47 1ug7 h THR 12 Ca -0.52 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 66.75 1ug7 h THR 12 Cb 2.15 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 1ug7 h THR 12 CO 0.02 0.02 0.56 0.08 0.37 0.00 0.00 175.52 176.56 1ug7 h ARG 13 N 0.09 0.71 -0.07 6.66 0.11 -1.92 0.32 114.38 120.28 1ug7 h ARG 13 Ca 0.36 -0.04 -0.06 0.00 0.10 0.00 0.00 59.98 60.34 1ug7 h ARG 13 Cb 0.61 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 1ug7 h ARG 13 CO -0.62 0.47 -0.25 1.03 0.10 0.00 0.00 179.97 180.70 1ug7 h SER 14 N 0.73 0.11 -0.07 0.08 0.87 -0.04 -2.73 113.55 112.51 1ug7 h SER 14 Ca 0.42 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.93 1ug7 h SER 14 Cb 0.61 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1ug7 h SER 14 CO -0.19 0.37 -0.06 0.25 -0.53 0.00 0.00 176.83 176.67 1ug7 h LEU 15 N 0.10 0.17 -2.04 2.23 5.85 0.53 -1.08 115.31 121.07 1ug7 h LEU 15 Ca 0.02 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1ug7 h LEU 15 Cb 0.50 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ug7 h LEU 15 CO 0.04 0.60 0.20 -0.07 -0.34 0.00 0.00 178.44 178.86 1ug7 h LEU 16 N -0.26 0.00 0.00 2.25 3.38 -0.99 0.95 115.31 120.64 1ug7 h LEU 16 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ug7 h LEU 16 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ug7 h LEU 16 CO 0.01 0.00 -0.18 1.56 0.09 0.00 0.00 178.44 179.93 1ug7 h GLN 17 N 0.00 0.00 -1.11 1.13 4.20 -1.16 -2.95 115.11 115.21 1ug7 h GLN 17 Ca 0.00 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.03 1ug7 h GLN 17 Cb 0.39 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1ug7 h GLN 17 CO 0.00 0.00 0.80 0.07 -0.67 0.00 0.00 178.83 179.03 1ug7 h ARG 18 N -0.56 0.03 0.30 1.46 -0.00 -0.77 1.33 114.38 116.17 1ug7 h ARG 18 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1ug7 h ARG 18 Cb 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.14 1ug7 h ARG 18 CO 0.00 0.02 -0.14 -1.49 -0.00 0.00 0.00 179.97 178.35 1ug7 h TRP 19 N 0.03 -0.37 0.00 4.08 6.55 -0.97 -2.35 115.95 122.91 1ug7 h TRP 19 Ca 0.54 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.37 1ug7 h TRP 19 Cb 2.09 0.12 0.00 0.00 -0.86 0.00 0.00 29.16 30.52 1ug7 h TRP 19 CO -0.00 -0.23 0.04 0.78 -1.05 0.00 0.00 178.44 177.97 1ug7 h GLY 20 N -0.73 0.00 2.00 1.49 0.00 -0.92 0.36 103.07 105.26 1ug7 h GLY 20 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1ug7 h GLY 20 CO 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.22 1ug7 h ALA 21 N 1.93 0.82 0.12 3.60 0.00 0.17 -2.11 119.26 123.79 1ug7 h ALA 21 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ug7 h ALA 21 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ug7 h ALA 21 CO 0.00 0.48 -0.06 1.03 0.00 0.00 0.00 179.25 180.71 1ug7 h SER 22 N 0.00 -0.14 0.35 0.00 0.87 0.27 -3.00 113.55 111.90 1ug7 h SER 22 Ca -0.00 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1ug7 h SER 22 Cb 1.15 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1ug7 h SER 22 CO 0.05 0.37 -0.48 0.25 -0.53 0.00 0.00 176.83 176.49 1ug7 h LEU 23 N -1.03 -1.37 -0.98 2.23 5.85 -1.58 0.34 115.31 118.77 1ug7 h LEU 23 Ca -0.02 0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.99 1ug7 h LEU 23 Cb 0.20 0.47 -0.17 0.00 0.37 0.00 0.00 40.66 41.54 1ug7 h LEU 23 CO 0.03 -0.60 -0.34 -0.09 -0.34 0.00 0.00 178.44 177.09 1ug7 h ARG 24 N -0.87 -0.01 -0.14 1.25 9.65 -1.54 0.48 114.38 123.19 1ug7 h ARG 24 Ca -0.03 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1ug7 h ARG 24 Cb 0.80 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1ug7 h ARG 24 CO -0.14 -0.00 0.08 -0.09 2.80 0.00 0.00 179.97 182.61 1ug7 h ARG 25 N -0.01 0.20 -1.48 0.20 2.43 -1.25 -2.02 114.38 112.46 1ug7 h ARG 25 Ca 0.38 -0.03 0.43 0.00 -0.81 0.00 0.00 59.98 59.96 1ug7 h ARG 25 Cb 0.63 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 1ug7 h ARG 25 CO -0.99 0.22 1.06 0.78 -1.51 0.00 0.00 179.97 179.54 1ug7 h GLY 26 N 0.13 0.08 0.74 2.80 0.00 0.40 0.95 103.07 108.16 1ug7 h GLY 26 Ca 0.05 -0.01 -0.20 0.00 0.00 0.00 0.00 47.33 47.18 1ug7 h GLY 26 CO -0.01 -0.02 -0.85 0.00 0.00 0.00 0.00 176.54 175.66 1ug7 h ALA 27 N 1.27 -0.09 -0.78 3.60 0.00 -0.54 -2.47 119.26 120.25 1ug7 h ALA 27 Ca 0.71 -0.70 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1ug7 h ALA 27 Cb 2.82 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 20.65 1ug7 h ALA 27 CO -0.03 0.40 0.51 -0.44 0.00 0.00 0.00 179.25 179.69 1ug7 h ASP 28 N -0.31 0.47 0.17 0.00 5.19 0.13 0.14 116.42 122.21 1ug7 h ASP 28 Ca -0.15 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1ug7 h ASP 28 Cb 1.66 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.11 1ug7 h ASP 28 CO 0.16 0.25 -0.08 -0.26 -3.12 0.00 0.00 179.24 176.19 1ug7 h PHE 29 N 0.51 -0.22 -0.03 4.55 0.04 -0.99 -3.08 116.94 117.72 1ug7 h PHE 29 Ca 0.38 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.17 1ug7 h PHE 29 Cb 0.76 0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.92 1ug7 h PHE 29 CO -0.00 0.20 -0.48 -0.44 -0.60 0.00 0.00 178.31 176.98 1ug7 h ASP 30 N -0.89 -1.49 -0.23 2.17 3.32 -0.91 0.75 116.42 119.13 1ug7 h ASP 30 Ca -0.02 0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.22 1ug7 h ASP 30 Cb 0.51 0.58 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1ug7 h ASP 30 CO 0.04 -0.49 -0.14 -1.20 -1.72 0.00 0.00 179.24 175.73 1ug7 n SER 31 N -5.46 -0.25 0.00 6.45 7.64 0.44 -2.02 113.62 120.42 1ug7 n SER 31 Ca -0.06 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1ug7 n SER 31 Cb 0.39 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 -3.49 0.00 0.00 1.43 8.01 -1.01 -4.88 117.44 117.49 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 0.06 -0.43 0.00 0.00 -2.01 0.00 0.00 31.31 28.93 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 -0.96 0.00 2.68 6.99 0.00 0.12 -5.09 105.19 108.94 1ug7 n GLY 33 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.11 0.10 1.61 1.13 0.22 -4.87 117.38 118.68 1ug7 n GLN 34 Ca 0.00 -4.62 -0.13 0.00 -1.94 0.00 0.00 57.00 50.31 1ug7 n GLN 34 Cb 0.00 -2.35 -0.07 0.00 0.11 0.00 0.00 30.24 27.92 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 4.78 -0.14 -0.03 1.08 3.38 -1.89 0.66 115.31 123.15 1ug7 h LEU 35 Ca 0.19 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1ug7 h LEU 35 Cb 0.66 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1ug7 h LEU 35 CO 0.99 -0.08 -0.10 0.58 0.09 0.00 0.00 178.44 179.91 1ug7 h VAL 36 N -0.19 0.00 -0.94 1.22 2.07 -1.98 1.51 116.25 117.93 1ug7 h VAL 36 Ca -0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1ug7 h VAL 36 Cb 0.15 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.84 1ug7 h VAL 36 CO 0.03 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.89 1ug7 h GLU 37 N -0.11 0.74 0.72 1.57 3.07 -1.96 0.84 114.58 119.45 1ug7 h GLU 37 Ca 0.01 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1ug7 h GLU 37 Cb 0.13 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1ug7 h GLU 37 CO -0.08 0.49 -0.36 0.00 -1.40 0.00 0.00 179.01 177.66 1ug7 h ALA 38 N 1.59 -0.98 0.30 3.43 0.00 0.18 0.49 119.26 124.27 1ug7 h ALA 38 Ca 0.49 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ug7 h ALA 38 Cb 0.73 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1ug7 h ALA 38 CO -0.25 -1.05 -0.50 0.82 0.00 0.00 0.00 179.25 178.26 1ug7 h ILE 39 N -0.98 0.00 -0.49 0.00 2.04 0.30 0.12 117.51 118.50 1ug7 h ILE 39 Ca -0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.85 1ug7 h ILE 39 Cb 0.76 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.73 1ug7 h ILE 39 CO 0.16 0.00 -0.33 -0.78 0.00 0.00 0.00 178.15 177.19 1ug7 h ASP 40 N -0.85 -1.13 -0.66 1.72 3.58 -0.83 0.87 116.42 119.13 1ug7 h ASP 40 Ca -0.03 0.21 0.14 0.00 0.42 0.00 0.00 57.03 57.76 1ug7 h ASP 40 Cb 0.79 0.54 -0.12 0.00 1.72 0.00 0.00 39.33 42.27 1ug7 h ASP 40 CO -0.17 -0.31 -0.03 -0.08 -2.88 0.00 0.00 179.24 175.76 1ug7 h GLU 41 N -0.21 0.08 0.44 0.28 4.57 0.56 0.43 114.58 120.72 1ug7 h GLU 41 Ca 0.20 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1ug7 h GLU 41 Cb 0.54 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1ug7 h GLU 41 CO -0.60 0.06 -0.21 1.88 -1.18 0.00 0.00 179.01 178.95 1ug7 h TYR 42 N 0.09 -0.55 -0.60 0.92 0.05 0.20 -2.64 116.97 114.44 1ug7 h TYR 42 Ca 0.34 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.17 1ug7 h TYR 42 Cb 0.56 0.18 -0.09 0.00 1.01 0.00 0.00 36.73 38.40 1ug7 h TYR 42 CO -0.42 -0.34 -0.48 1.96 -1.05 0.00 0.00 178.16 177.83 1ug7 h GLN 43 N -0.82 -0.16 -0.89 4.88 4.20 0.95 1.55 115.11 124.83 1ug7 h GLN 43 Ca -0.06 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.79 1ug7 h GLN 43 Cb 0.45 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.12 1ug7 h GLN 43 CO 0.10 -0.10 -0.41 0.82 -0.67 0.00 0.00 178.83 178.57 1ug7 h ILE 44 N -0.16 0.04 -0.65 2.54 5.03 -0.25 1.08 117.51 125.13 1ug7 h ILE 44 Ca 0.10 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.82 1ug7 h ILE 44 Cb 0.42 0.04 -0.03 0.00 -3.03 0.00 0.00 36.82 34.22 1ug7 h ILE 44 CO -0.65 0.00 0.34 0.25 -0.68 0.00 0.00 178.15 177.41 1ug7 h LEU 45 N -0.05 0.82 -0.59 1.44 5.85 -0.40 -0.90 115.31 121.48 1ug7 h LEU 45 Ca 0.29 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.00 1ug7 h LEU 45 Cb 0.57 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 1ug7 h LEU 45 CO -0.91 0.69 0.21 0.00 -0.34 0.00 0.00 178.44 178.09 1ug7 h ALA 46 N 1.16 0.75 -0.54 1.25 0.00 0.95 0.32 119.26 123.16 1ug7 h ALA 46 Ca 0.23 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1ug7 h ALA 46 Cb 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ug7 h ALA 46 CO -0.03 -0.21 0.23 0.00 0.00 0.00 0.00 179.25 179.23 1ug7 h ARG 47 N 0.38 0.80 0.10 0.00 3.08 0.12 -2.90 114.38 115.95 1ug7 h ARG 47 Ca 0.30 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ug7 h ARG 47 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ug7 h ARG 47 CO -0.31 0.69 -0.10 0.45 -1.07 0.00 0.00 179.97 179.63 1ug7 h HIS 48 N 0.73 -0.25 -0.99 3.04 3.86 0.24 -1.62 115.15 120.16 1ug7 h HIS 48 Ca 0.18 0.00 0.35 0.00 -1.16 0.00 0.00 60.37 59.74 1ug7 h HIS 48 Cb 0.18 0.10 -0.16 0.00 1.06 0.00 0.00 27.41 28.59 1ug7 h HIS 48 CO 0.00 -0.15 0.49 -0.07 0.86 0.00 0.00 177.93 179.06 1ug7 h LEU 49 N -0.22 0.32 0.21 2.43 3.38 -0.23 0.60 115.31 121.80 1ug7 h LEU 49 Ca 0.01 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1ug7 h LEU 49 Cb 0.21 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ug7 h LEU 49 CO -0.03 -0.27 -0.10 1.56 0.09 0.00 0.00 178.44 179.69 1ug7 h GLN 50 N 0.17 -0.27 -1.46 1.13 4.20 -1.15 0.75 115.11 118.49 1ug7 h GLN 50 Ca 0.75 0.02 0.42 0.00 0.06 0.00 0.00 58.65 59.90 1ug7 h GLN 50 Cb 1.80 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 29.59 1ug7 h GLN 50 CO -0.70 -0.06 1.11 -0.22 -0.67 0.00 0.00 178.83 178.29 1ug7 h LYS 51 N -0.45 0.00 0.00 1.46 1.63 0.65 1.84 116.57 121.70 1ug7 h LYS 51 Ca -0.03 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.43 1ug7 h LYS 51 Cb 0.34 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.91 1ug7 h LYS 51 CO 0.05 0.00 -2.13 0.39 -3.45 0.00 0.00 179.45 174.30 1ug7 n GLU 52 N -3.95 0.67 0.02 1.90 -0.58 -0.81 -2.43 120.64 115.46 1ug7 n GLU 52 Ca 0.32 0.11 -0.02 0.00 -0.42 0.00 0.00 57.16 57.15 1ug7 n GLU 52 Cb 1.56 -1.62 -0.01 0.00 -0.57 0.00 0.00 31.44 30.80 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 1.00 -0.19 -0.13 0.62 0.00 0.87 -3.37 119.26 118.06 1ug7 h ALA 53 Ca -0.45 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 1ug7 h ALA 53 Cb 2.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1ug7 h ALA 53 CO 0.05 -0.19 -0.76 -0.56 0.00 0.00 0.00 179.25 177.79 1ug7 h GLN 54 N -0.55 0.64 -5.93 0.00 3.07 0.18 -3.48 115.11 109.04 1ug7 h GLN 54 Ca -0.01 -0.53 -0.14 0.00 0.09 0.00 0.00 58.65 58.06 1ug7 h GLN 54 Cb 0.09 0.11 0.01 0.00 0.08 0.00 0.00 27.48 27.76 1ug7 h GLN 54 CO 0.02 1.14 -0.98 0.00 0.09 0.00 0.00 178.83 179.11 1ug7 n ALA 55 N -2.57 -1.99 0.07 0.06 0.00 -0.88 -4.77 120.51 110.42 1ug7 n ALA 55 Ca -0.06 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.52 1ug7 n ALA 55 Cb 0.73 -1.06 0.19 0.00 0.00 0.00 0.00 19.45 19.31 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 0.67 2.79 0.02 0.00 10.64 -1.26 -4.46 117.38 125.77 1ug7 n GLN 56 Ca -0.03 -1.52 0.00 0.00 -1.83 0.00 0.00 57.00 53.62 1ug7 n GLN 56 Cb 0.51 -1.85 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 1ug7 n GLN 56 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1ug7 n HIS 57 N 0.25 -2.22 -1.51 2.61 -0.00 -1.26 -4.99 115.22 108.11 1ug7 n HIS 57 Ca 0.15 0.12 -0.40 0.00 0.46 0.00 0.00 57.72 58.05 1ug7 n HIS 57 Cb 0.74 0.66 -0.02 0.00 -0.12 0.00 0.00 29.99 31.25 1ug7 n HIS 57 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1ug7 n ASN 58 N -2.85 7.90 -4.34 0.26 6.94 -1.26 -4.90 115.26 117.01 1ug7 n ASN 58 Ca 0.00 -2.71 -0.36 0.00 -0.02 0.00 0.00 54.58 51.49 1ug7 n ASN 58 Cb 0.00 -1.54 -0.16 0.00 -2.36 0.00 0.00 39.78 35.72 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ug7 n ASN 59 N 3.63 -0.09 -4.51 0.53 4.13 -1.26 -4.72 115.26 112.98 1ug7 n ASN 59 Ca 0.72 0.02 -0.47 0.00 1.68 0.00 0.00 54.58 56.53 1ug7 n ASN 59 Cb 0.26 -0.81 -0.03 0.00 -1.54 0.00 0.00 39.78 37.66 1ug7 n ASN 59 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ug7 n SER 60 N 9.09 0.21 -2.09 6.41 3.41 -1.26 -4.78 113.62 124.61 1ug7 n SER 60 Ca 0.64 1.15 -0.16 0.00 -0.26 0.00 0.00 58.87 60.24 1ug7 n SER 60 Cb 0.05 -1.13 -0.08 0.00 -0.26 0.00 0.00 64.21 62.79 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ug7 n GLU 61 N 0.98 1.98 -4.37 4.33 1.02 -1.26 -4.85 120.64 118.48 1ug7 n GLU 61 Ca 0.14 -1.42 -0.23 0.00 -0.02 0.00 0.00 57.16 55.63 1ug7 n GLU 61 Cb 0.27 -1.87 -0.13 0.00 -0.02 0.00 0.00 31.44 29.70 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ug7 s PHE 62 N -0.48 1.66 1.22 -0.32 0.40 -1.26 -3.92 117.98 115.28 1ug7 s PHE 62 Ca 0.50 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 56.26 1ug7 s PHE 62 Cb 0.29 -0.94 0.29 0.00 0.51 0.00 0.00 43.02 43.17 1ug7 s PHE 62 CO -0.08 0.14 1.04 -0.08 0.70 0.00 0.00 175.22 176.94 1ug7 s THR 63 N -1.05 1.66 0.05 0.64 -1.32 -1.26 -4.65 115.64 109.71 1ug7 s THR 63 Ca 0.05 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.27 1ug7 s THR 63 Cb -0.09 -2.28 -0.17 0.00 -1.51 0.00 0.00 72.50 68.45 1ug7 s THR 63 CO 0.03 0.00 1.52 -0.08 -2.21 0.00 0.00 174.62 173.88 1ug7 h GLU 64 N -2.71 -0.29 -0.16 7.08 4.81 -1.99 -1.07 114.58 120.25 1ug7 h GLU 64 Ca -0.51 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1ug7 h GLU 64 Cb 1.33 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1ug7 h GLU 64 CO 0.41 -0.08 0.35 1.05 -0.73 0.00 0.00 179.01 180.01 1ug7 h GLU 65 N -0.45 0.00 0.00 1.92 4.11 -1.99 0.11 114.58 118.27 1ug7 h GLU 65 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ug7 h GLU 65 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ug7 h GLU 65 CO 0.05 0.00 -0.00 1.96 0.07 0.00 0.00 179.01 181.09 1ug7 h GLN 66 N 0.00 0.00 -0.96 1.06 4.20 -1.68 -3.25 115.11 114.48 1ug7 h GLN 66 Ca 0.08 0.00 0.29 0.00 0.06 0.00 0.00 58.65 59.08 1ug7 h GLN 66 Cb 0.78 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.41 1ug7 h GLN 66 CO -0.00 0.00 0.44 1.57 -0.67 0.00 0.00 178.83 180.16 1ug7 h LYS 67 N -0.12 0.26 -0.65 1.46 2.10 -0.87 0.86 116.57 119.61 1ug7 h LYS 67 Ca 0.00 -0.02 0.14 0.00 -2.00 0.00 0.00 60.65 58.77 1ug7 h LYS 67 Cb 0.00 -0.06 -0.11 0.00 -0.90 0.00 0.00 32.23 31.16 1ug7 h LYS 67 CO 0.00 0.17 -0.02 0.87 -2.00 0.00 0.00 179.45 178.47 1ug7 h LYS 68 N 0.27 0.09 0.17 0.07 1.79 -0.94 0.47 116.57 118.49 1ug7 h LYS 68 Ca 0.67 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 59.12 1ug7 h LYS 68 Cb 1.47 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 1ug7 h LYS 68 CO -0.64 0.06 -0.08 1.15 -1.08 0.00 0.00 179.45 178.87 1ug7 h THR 69 N 0.10 0.79 -0.93 -0.16 2.02 0.55 -1.78 112.91 113.49 1ug7 h THR 69 Ca 0.34 -1.12 0.20 0.00 0.77 0.00 0.00 66.41 66.60 1ug7 h THR 69 Cb 0.56 1.33 -0.18 0.00 -1.74 0.00 0.00 68.15 68.13 1ug7 h THR 69 CO -0.58 0.21 -0.19 0.40 0.37 0.00 0.00 175.52 175.72 1ug7 h ILE 70 N -0.89 0.07 -0.56 3.11 2.04 -0.16 1.25 117.51 122.37 1ug7 h ILE 70 Ca -0.02 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 1ug7 h ILE 70 Cb 0.51 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1ug7 h ILE 70 CO 0.04 0.00 -0.02 1.23 0.00 0.00 0.00 178.15 179.40 1ug7 h GLY 71 N 0.00 1.09 1.02 5.37 0.00 -0.14 -2.79 103.07 107.62 1ug7 h GLY 71 Ca 0.46 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1ug7 h GLY 71 CO -0.94 0.75 0.46 0.50 0.00 0.00 0.00 176.54 177.31 1ug7 h LYS 72 N 0.89 1.16 -0.32 4.80 1.57 0.18 -2.36 116.57 122.49 1ug7 h LYS 72 Ca 0.16 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1ug7 h LYS 72 Cb 0.57 -0.23 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 1ug7 h LYS 72 CO 0.03 0.85 -0.24 0.82 -0.57 0.00 0.00 179.45 180.34 1ug7 h ILE 73 N 1.16 0.38 0.07 1.86 2.04 0.13 -1.42 117.51 121.73 1ug7 h ILE 73 Ca 0.29 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.18 1ug7 h ILE 73 Cb 0.02 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 1ug7 h ILE 73 CO -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.76 1ug7 h ALA 74 N 0.91 -0.55 -0.91 1.87 0.00 -1.33 -1.93 119.26 117.32 1ug7 h ALA 74 Ca 0.16 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1ug7 h ALA 74 Cb 0.46 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 1ug7 h ALA 74 CO -0.44 -0.87 -0.34 2.41 0.00 0.00 0.00 179.25 180.01 1ug7 n THR 75 N -5.42 -0.47 -0.05 0.00 -1.04 -0.61 0.15 114.28 106.84 1ug7 n THR 75 Ca -0.06 2.14 -0.08 0.00 -2.04 0.00 0.00 64.05 64.01 1ug7 n THR 75 Cb 0.34 -2.84 -0.01 0.00 -1.82 0.00 0.00 70.33 65.99 1ug7 n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 h LEU 77 N -0.18 -1.89 -1.66 0.00 3.38 0.19 1.44 115.31 116.59 1ug7 h LEU 77 Ca 0.13 0.27 0.40 0.00 0.09 0.00 0.00 57.88 58.78 1ug7 h LEU 77 Cb 0.38 0.81 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 1ug7 h LEU 77 CO -0.34 -0.35 1.18 -0.33 0.09 0.00 0.00 178.44 178.69 1ug7 h GLU 78 N -0.27 0.00 0.00 1.13 5.08 -0.33 0.66 114.58 120.85 1ug7 h GLU 78 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ug7 h GLU 78 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ug7 h GLU 78 CO -0.71 0.00 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.23 1ug7 h LEU 79 N 0.00 -0.00 0.24 1.33 3.38 0.21 -3.03 115.31 117.44 1ug7 h LEU 79 Ca 0.66 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ug7 h LEU 79 Cb 3.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 43.73 1ug7 h LEU 79 CO -0.01 0.71 -0.51 -0.09 0.09 0.00 0.00 178.44 178.63 1ug7 h ARG 80 N -1.00 -0.79 -0.60 1.13 9.65 0.18 0.87 114.38 123.81 1ug7 h ARG 80 Ca -0.00 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.00 1ug7 h ARG 80 Cb 0.44 0.18 -0.10 0.00 -1.39 0.00 0.00 29.97 29.10 1ug7 h ARG 80 CO 0.00 -0.53 -0.55 0.77 2.80 0.00 0.00 179.97 182.46 1ug7 h SER 81 N -0.82 -1.91 -0.18 -3.80 0.02 -0.76 0.82 113.55 106.93 1ug7 h SER 81 Ca -0.02 0.27 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1ug7 h SER 81 Cb 0.78 0.81 -0.05 0.00 0.14 0.00 0.00 62.40 64.08 1ug7 h SER 81 CO -0.21 -0.35 -0.13 0.00 -1.14 0.00 0.00 176.83 175.01 1ug7 h ALA 82 N 0.20 0.01 -1.17 3.77 0.00 -1.35 0.49 119.26 121.21 1ug7 h ALA 82 Ca 0.11 0.07 0.42 0.00 0.00 0.00 0.00 54.91 55.52 1ug7 h ALA 82 Cb 0.54 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.46 1ug7 h ALA 82 CO -0.71 -0.56 0.70 0.00 0.00 0.00 0.00 179.25 178.68 1ug7 h ALA 83 N 1.00 2.44 0.18 0.00 0.00 0.31 1.13 119.26 124.30 1ug7 h ALA 83 Ca 0.11 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1ug7 h ALA 83 Cb 0.29 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ug7 h ALA 83 CO -0.26 -1.14 -0.09 -0.07 0.00 0.00 0.00 179.25 177.69 1ug7 h LEU 84 N 0.07 -0.21 -1.06 0.00 3.38 0.61 -3.16 115.31 114.95 1ug7 h LEU 84 Ca 0.83 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 58.60 1ug7 h LEU 84 Cb 2.39 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 43.11 1ug7 h LEU 84 CO -0.59 0.26 0.63 1.56 0.09 0.00 0.00 178.44 180.38 1ug7 h GLN 85 N -0.73 0.98 -7.24 1.13 4.20 0.14 -3.42 115.11 110.16 1ug7 h GLN 85 Ca -0.02 -0.06 -0.49 0.00 0.06 0.00 0.00 58.65 58.13 1ug7 h GLN 85 Cb 0.51 -0.22 0.19 0.00 0.30 0.00 0.00 27.48 28.26 1ug7 h GLN 85 CO 0.04 0.65 0.17 -1.12 -0.67 0.00 0.00 178.83 177.90 1ug7 s SER 86 N -5.79 2.49 0.61 1.46 0.01 0.31 -4.98 113.70 107.81 1ug7 s SER 86 Ca -0.12 1.94 -0.14 0.00 1.31 0.00 0.00 55.95 58.94 1ug7 s SER 86 Cb 0.21 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1ug7 s SER 86 CO 0.81 -3.33 1.04 0.28 0.41 0.00 0.00 173.24 172.45 1ug7 s THR 87 N -2.63 4.06 -0.93 1.44 -1.32 -1.26 -4.92 115.64 110.08 1ug7 s THR 87 Ca 0.67 0.87 -0.24 0.00 -1.21 0.00 0.00 61.69 61.78 1ug7 s THR 87 Cb -0.23 -3.48 -0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1ug7 s THR 87 CO 0.60 -0.68 1.81 -1.58 -2.21 0.00 0.00 174.62 172.56 1ug7 s GLN 88 N -4.41 2.83 0.00 7.08 -0.44 -1.26 -3.31 119.66 120.15 1ug7 s GLN 88 Ca 0.61 -0.49 0.00 0.00 -2.50 0.00 0.00 55.36 52.97 1ug7 s GLN 88 Cb -0.14 -5.12 0.00 0.00 -1.64 0.00 0.00 33.01 26.11 1ug7 s GLN 88 CO 0.42 -3.05 0.00 0.45 0.50 0.00 0.00 175.29 173.61 1ug7 n SER 89 N 12.58 0.00 -4.07 6.67 2.88 -1.26 -5.15 113.62 125.27 1ug7 n SER 89 Ca 0.38 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.61 1ug7 n SER 89 Cb 0.48 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.07 1ug7 n SER 89 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ug7 n GLN 90 N -1.48 -1.27 -3.08 -1.46 -0.06 -1.21 -4.95 117.38 103.87 1ug7 n GLN 90 Ca 0.00 -0.36 -0.24 0.00 -2.00 0.00 0.00 57.00 54.40 1ug7 n GLN 90 Cb 0.00 -1.45 -0.04 0.00 -4.06 0.00 0.00 30.24 24.69 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 -0.70 2.21 0.00 3.69 2.13 -1.26 -5.06 120.64 121.66 1ug7 n GLU 91 Ca 0.01 -4.21 0.00 0.00 0.66 0.00 0.00 57.16 53.61 1ug7 n GLU 91 Cb 0.59 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.32 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 0.12 3.55 -2.44 5.31 -0.58 -1.26 -5.04 120.64 120.29 1ug7 n GLU 92 Ca 0.28 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.65 1ug7 n GLU 92 Cb 0.50 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.34 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 2.09 3.18 0.00 -0.32 5.36 -1.26 -5.06 117.98 121.97 1ug7 s PHE 93 Ca 0.00 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 1ug7 s PHE 93 Cb 0.00 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 1ug7 s PHE 93 CO 0.00 -0.90 0.00 0.36 -1.46 0.00 0.00 175.22 173.22 1ug7 n LYS 94 N -0.04 1.49 -0.06 10.12 2.85 -1.26 -4.65 118.16 126.61 1ug7 n LYS 94 Ca 0.05 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.23 1ug7 n LYS 94 Cb 0.48 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.79 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 -0.00 -1.80 -5.58 5.85 -1.98 -2.49 115.31 109.31 1ug7 h LEU 95 Ca 0.00 -0.56 0.24 0.00 0.84 0.00 0.00 57.88 58.40 1ug7 h LEU 95 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1ug7 h LEU 95 CO 0.00 0.78 0.63 1.05 -0.34 0.00 0.00 178.44 180.56 1ug7 h GLU 96 N -1.00 0.15 0.00 1.25 4.11 -1.97 1.40 114.58 118.52 1ug7 h GLU 96 Ca -0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.25 1ug7 h GLU 96 Cb 0.56 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1ug7 h GLU 96 CO 0.00 0.10 -0.80 -0.44 0.07 0.00 0.00 179.01 177.93 1ug7 h ASP 97 N 0.15 0.00 0.09 3.06 5.19 -1.97 -2.81 116.42 120.13 1ug7 h ASP 97 Ca 0.45 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.72 1ug7 h ASP 97 Cb 1.53 0.00 0.02 0.00 0.18 0.00 0.00 39.33 41.06 1ug7 h ASP 97 CO -0.08 0.80 -0.63 0.25 -3.12 0.00 0.00 179.24 176.46 1ug7 h LEU 98 N 0.00 0.40 -0.51 1.55 5.85 0.17 -3.13 115.31 119.64 1ug7 h LEU 98 Ca -0.01 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.79 1ug7 h LEU 98 Cb 1.56 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.46 1ug7 h LEU 98 CO 0.10 1.28 0.00 0.29 -0.34 0.00 0.00 178.44 179.78 1ug7 n LYS 99 N -4.23 0.08 0.02 1.25 4.01 0.39 -0.93 118.16 118.74 1ug7 n LYS 99 Ca -0.12 0.46 0.07 0.00 -0.51 0.00 0.00 58.31 58.21 1ug7 n LYS 99 Cb 0.73 -1.69 0.31 0.00 -0.51 0.00 0.00 35.03 33.86 1ug7 n LYS 99 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1ug7 n LYS 100 N -1.85 0.02 -0.16 1.97 5.02 -1.06 -0.76 118.16 121.34 1ug7 n LYS 100 Ca 0.01 0.29 0.09 0.00 -2.02 0.00 0.00 58.31 56.68 1ug7 n LYS 100 Cb 0.10 -1.54 0.17 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.59 3.08 -0.04 -0.35 4.77 -0.10 -4.19 117.00 118.58 1ug7 n LEU 101 Ca 0.03 -1.56 -0.14 0.00 -0.03 0.00 0.00 56.01 54.31 1ug7 n LEU 101 Cb 0.16 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1ug7 n LEU 101 CO 0.13 0.69 0.49 -0.08 -1.33 0.00 0.00 177.39 177.29 1ug7 h GLU 102 N 3.43 0.04 -0.03 3.23 4.22 -1.08 -2.70 114.58 121.69 1ug7 h GLU 102 Ca 0.00 -0.04 -0.20 0.00 0.08 0.00 0.00 59.36 59.20 1ug7 h GLU 102 Cb 0.83 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ug7 h GLU 102 CO 0.00 0.78 -0.85 -1.00 -2.18 0.00 0.00 179.01 175.76 1ug7 h PRO 103 N -0.69 0.36 0.67 0.92 0.13 -1.77 -3.22 132.00 128.40 1ug7 h PRO 103 Ca -0.01 -0.35 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 1ug7 h PRO 103 Cb 0.80 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ug7 h PRO 103 CO 0.01 1.02 -0.40 0.82 -0.23 0.00 0.00 178.00 179.22 1ug7 h ILE 104 N 0.22 0.00 -1.28 -3.56 2.04 -1.73 0.90 117.51 114.10 1ug7 h ILE 104 Ca -0.05 0.00 0.42 0.00 1.00 0.00 0.00 64.86 66.23 1ug7 h ILE 104 Cb 1.46 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.41 1ug7 h ILE 104 CO 0.14 0.00 0.82 -0.07 0.00 0.00 0.00 178.15 179.04 1ug7 h LEU 105 N -0.99 0.26 0.00 1.44 3.38 -1.57 1.45 115.31 119.27 1ug7 h LEU 105 Ca -0.09 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1ug7 h LEU 105 Cb 0.79 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1ug7 h LEU 105 CO 0.10 -0.17 -0.43 0.11 0.09 0.00 0.00 178.44 178.13 1ug7 h LYS 106 N 0.11 0.29 -1.19 1.13 1.79 -1.32 -3.18 116.57 114.20 1ug7 h LYS 106 Ca 0.81 -0.31 -0.29 0.00 -2.18 0.00 0.00 60.65 58.67 1ug7 h LYS 106 Cb 2.47 0.09 -0.15 0.00 -1.58 0.00 0.00 32.23 33.06 1ug7 h LYS 106 CO -0.43 1.02 0.37 0.09 -1.08 0.00 0.00 179.45 179.42 1ug7 n ASN 107 N -4.36 4.59 0.08 0.86 5.03 0.42 -4.12 115.26 117.77 1ug7 n ASN 107 Ca -0.10 -2.91 -0.09 0.00 0.87 0.00 0.00 54.58 52.34 1ug7 n ASN 107 Cb 0.59 -0.82 -0.05 0.00 -1.02 0.00 0.00 39.78 38.49 1ug7 n ASN 107 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1ug7 h ILE 108 N 0.69 1.55 0.11 2.41 1.08 0.60 1.58 117.51 125.53 1ug7 h ILE 108 Ca 0.31 -2.87 -0.01 0.00 -0.39 0.00 0.00 64.86 61.91 1ug7 h ILE 108 Cb 1.54 2.63 0.00 0.00 -3.07 0.00 0.00 36.82 37.92 1ug7 h ILE 108 CO 0.64 0.83 -0.06 -0.07 -0.69 0.00 0.00 178.15 178.81 1ug7 h LEU 109 N 0.07 -0.13 0.00 1.44 3.38 -1.84 -3.35 115.31 114.89 1ug7 h LEU 109 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1ug7 h LEU 109 Cb 1.63 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1ug7 h LEU 109 CO 0.14 -0.09 -0.92 1.07 0.09 0.00 0.00 178.44 178.74 1ug7 n THR 110 N -5.16 1.47 -0.67 0.22 5.66 -1.23 -4.60 114.28 109.97 1ug7 n THR 110 Ca -0.08 0.10 0.03 0.00 -3.05 0.00 0.00 64.05 61.05 1ug7 n THR 110 Cb 0.09 -2.24 -0.01 0.00 -1.55 0.00 0.00 70.33 66.62 1ug7 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ug7 n TYR 111 N -4.52 -2.03 -2.09 1.09 9.36 0.54 -4.87 117.16 114.64 1ug7 n TYR 111 Ca -0.19 0.31 -0.03 0.00 3.32 0.00 0.00 57.90 61.31 1ug7 n TYR 111 Cb 0.46 -0.54 0.00 0.00 -0.63 0.00 0.00 39.34 38.63 1ug7 n TYR 111 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1ug7 n ASN 112 N -4.21 -0.68 0.00 2.98 2.85 -1.26 -5.04 115.26 109.90 1ug7 n ASN 112 Ca 0.00 -1.36 0.00 0.00 -0.11 0.00 0.00 54.58 53.11 1ug7 n ASN 112 Cb 0.11 0.26 0.00 0.00 1.24 0.00 0.00 39.78 41.39 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ug7 n LYS 113 N -0.34 0.00 -2.48 1.20 5.02 -1.26 -4.84 118.16 115.46 1ug7 n LYS 113 Ca -0.14 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.07 1ug7 n LYS 113 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.61 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 -1.64 -1.26 1.97 0.00 -1.26 -4.94 120.64 113.51 1ug7 n GLU 114 Ca 0.00 0.34 -0.40 0.00 0.00 0.00 0.00 57.16 57.09 1ug7 n GLU 114 Cb 0.00 -4.03 -0.00 0.00 0.00 0.00 0.00 31.44 27.41 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ug7 n PHE 115 N -3.73 -2.18 1.34 4.31 7.35 -1.26 -4.78 117.46 118.50 1ug7 n PHE 115 Ca -0.05 0.58 0.12 0.00 -0.76 0.00 0.00 57.45 57.34 1ug7 n PHE 115 Cb 0.55 -1.72 0.66 0.00 0.35 0.00 0.00 39.48 39.31 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 1.33 0.59 -4.16 -7.13 -0.04 -1.26 -4.72 135.00 119.62 1ug7 n PRO 116 Ca 0.10 0.03 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 1ug7 n PRO 116 Cb 0.40 -1.50 -0.12 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 -2.21 0.84 -0.66 0.54 0.08 -1.26 -5.04 117.98 110.27 1ug7 s PHE 117 Ca 0.31 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 1ug7 s PHE 117 Cb 0.16 -0.50 0.05 0.00 -0.57 0.00 0.00 43.02 42.17 1ug7 s PHE 117 CO 0.30 -0.02 2.74 -0.25 -0.10 0.00 0.00 175.22 177.88 1ug7 n ASP 118 N 1.77 6.82 -4.93 1.36 8.00 -1.26 -4.93 116.55 123.37 1ug7 n ASP 118 Ca -0.20 -3.14 -0.25 0.00 0.71 0.00 0.00 54.79 51.92 1ug7 n ASP 118 Cb 0.55 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1ug7 n ASP 118 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ug7 s VAL 119 N -1.71 4.46 0.22 2.53 -7.23 -1.26 -5.10 120.40 112.30 1ug7 s VAL 119 Ca 0.58 -0.27 0.06 0.00 -1.81 0.00 0.00 61.98 60.55 1ug7 s VAL 119 Cb 0.33 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 1ug7 s VAL 119 CO -0.18 -0.53 0.16 0.00 -0.31 0.00 0.00 175.10 174.25 1ug7 s GLN 120 N -4.59 2.88 0.05 4.82 -2.07 -1.26 -5.01 119.66 114.47 1ug7 s GLN 120 Ca 0.47 -1.00 -0.30 0.00 -1.82 0.00 0.00 55.36 52.70 1ug7 s GLN 120 Cb -0.10 -2.58 -0.05 0.00 -1.09 0.00 0.00 33.01 29.19 1ug7 s GLN 120 CO 0.40 0.43 1.17 -1.25 -1.32 0.00 0.00 175.29 174.72 1ug7 s PRO 121 N -3.52 4.45 -0.17 9.60 0.04 -1.26 -4.40 135.00 139.74 1ug7 s PRO 121 Ca 0.32 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1ug7 s PRO 121 Cb -0.09 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1ug7 s PRO 121 CO 0.24 -0.24 1.75 0.42 0.04 0.00 0.00 177.00 179.21 1ug7 s ILE 122 N 1.11 3.50 -0.18 0.56 1.01 -1.26 -3.97 121.20 121.97 1ug7 s ILE 122 Ca 0.58 0.56 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 1ug7 s ILE 122 Cb -0.28 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1ug7 s ILE 122 CO 0.29 -0.19 0.04 -0.24 0.00 0.00 0.00 174.94 174.84 1ug7 n SER 123 N 8.63 -4.74 -4.10 3.58 2.88 -1.26 -4.40 113.62 114.20 1ug7 n SER 123 Ca 0.20 0.93 -0.30 0.00 -1.33 0.00 0.00 58.87 58.37 1ug7 n SER 123 Cb 0.44 -3.83 0.19 0.00 -0.75 0.00 0.00 64.21 60.26 1ug7 n SER 123 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ug7 s GLY 124 N -0.92 1.78 0.78 0.46 0.00 -1.25 -4.66 107.32 103.51 1ug7 s GLY 124 Ca -0.05 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.36 1ug7 s GLY 124 CO 0.52 -0.42 1.09 2.56 0.00 0.00 0.00 173.10 176.84 1ug7 s PRO 125 N -5.88 2.19 0.44 2.90 0.04 -1.26 -4.84 135.00 128.59 1ug7 s PRO 125 Ca 0.74 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1ug7 s PRO 125 Cb -0.04 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1ug7 s PRO 125 CO 0.53 -1.56 0.00 0.45 0.04 0.00 0.00 177.00 176.47 1ug7 n SER 126 N -3.40 -8.84 -3.36 6.66 2.88 -1.26 -4.99 113.62 101.31 1ug7 n SER 126 Ca 0.07 1.26 -0.22 0.00 -1.33 0.00 0.00 58.87 58.65 1ug7 n SER 126 Cb 0.56 -4.76 -0.09 0.00 -0.75 0.00 0.00 64.21 59.17 1ug7 n SER 126 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug7 s SER 127 N -2.68 1.65 0.00 -3.46 0.01 -1.26 -5.19 113.70 102.77 1ug7 s SER 127 Ca 0.00 -2.15 0.29 0.00 1.31 0.00 0.00 55.95 55.40 1ug7 s SER 127 Cb 0.00 0.10 1.25 0.00 0.21 0.00 0.00 66.02 67.58 1ug7 s SER 127 CO 0.00 -0.24 1.86 0.61 0.41 0.00 0.00 173.24 175.88