#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 3.97 -0.21 1.61 1.04 -1.26 -4.71 113.70 114.15 1ug7 s SER 2 Ca 0.00 1.04 -0.06 0.00 0.48 0.00 0.00 55.95 57.40 1ug7 s SER 2 Cb 0.00 -1.65 0.02 0.00 0.10 0.00 0.00 66.02 64.49 1ug7 s SER 2 CO 0.00 -2.27 0.12 -0.24 0.98 0.00 0.00 173.24 171.84 1ug7 n SER 3 N -3.59 -3.50 0.00 7.02 2.88 -1.26 -5.08 113.62 110.09 1ug7 n SER 3 Ca 0.07 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1ug7 n SER 3 Cb 0.59 -4.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 1ug7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug7 n GLY 4 N 1.10 4.43 2.45 0.46 0.00 -1.26 -5.11 105.19 107.26 1ug7 n GLY 4 Ca -0.21 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 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 0.54 2.55 -0.29 1.61 0.15 -1.26 -4.92 113.70 112.08 1ug7 s SER 5 Ca 0.00 -2.44 -0.19 0.00 0.70 0.00 0.00 55.95 54.02 1ug7 s SER 5 Cb 0.00 -0.42 0.17 0.00 -1.71 0.00 0.00 66.02 64.06 1ug7 s SER 5 CO 0.00 -0.27 1.17 -0.94 1.20 0.00 0.00 173.24 174.40 1ug7 s SER 6 N 0.78 -0.27 0.32 5.45 1.04 -1.26 -5.13 113.70 114.63 1ug7 s SER 6 Ca 0.22 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1ug7 s SER 6 Cb -0.16 0.87 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1ug7 s SER 6 CO -0.05 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1ug7 n GLY 7 N 2.83 1.79 3.76 7.32 0.00 -1.26 -4.46 105.19 115.16 1ug7 n GLY 7 Ca -0.15 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 3.51 0.30 1.61 1.75 -1.26 -4.85 119.30 120.35 1ug7 s MET 8 Ca 0.00 -0.26 0.04 0.00 -1.25 0.00 0.00 55.69 54.23 1ug7 s MET 8 Cb 0.00 -3.11 0.04 0.00 2.84 0.00 0.00 34.83 34.60 1ug7 s MET 8 CO 0.00 0.61 0.37 0.43 -0.65 0.00 0.00 175.02 175.78 1ug7 n SER 9 N 2.50 1.27 -0.04 1.11 7.64 -1.26 -4.97 113.62 119.87 1ug7 n SER 9 Ca -0.19 -1.84 -0.13 0.00 1.01 0.00 0.00 58.87 57.73 1ug7 n SER 9 Cb 0.54 -0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.48 1ug7 n SER 9 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ug7 h GLU 10 N 0.00 0.23 -0.90 1.43 4.81 -1.99 -2.05 114.58 116.11 1ug7 h GLU 10 Ca -0.15 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1ug7 h GLU 10 Cb 0.65 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 1ug7 h GLU 10 CO 0.22 0.64 0.56 -0.39 -0.73 0.00 0.00 179.01 179.31 1ug7 h VAL 11 N -0.18 1.24 -0.86 0.32 -1.51 -1.98 -1.12 116.25 112.17 1ug7 h VAL 11 Ca 0.02 -0.49 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 1ug7 h VAL 11 Cb 0.59 -0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 29.66 1ug7 h VAL 11 CO 0.02 0.24 0.48 0.74 -1.23 0.00 0.00 177.57 177.83 1ug7 h THR 12 N 1.23 1.25 -0.18 7.19 2.02 -1.93 0.29 112.91 122.79 1ug7 h THR 12 Ca 0.33 -0.59 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 1ug7 h THR 12 Cb -0.09 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 1ug7 h THR 12 CO -0.06 0.27 -0.32 -0.09 0.37 0.00 0.00 175.52 175.69 1ug7 h ARG 13 N 1.20 0.35 0.00 6.66 2.43 -0.55 -1.84 114.38 122.63 1ug7 h ARG 13 Ca 0.30 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1ug7 h ARG 13 Cb 0.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1ug7 h ARG 13 CO -0.05 0.64 -0.32 1.03 -1.51 0.00 0.00 179.97 179.75 1ug7 h SER 14 N 0.31 0.00 0.31 -3.80 0.87 -0.32 -3.20 113.55 107.71 1ug7 h SER 14 Ca 0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1ug7 h SER 14 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1ug7 h SER 14 CO 0.05 0.32 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.46 1ug7 h LEU 15 N 0.00 -0.35 -1.79 2.23 3.38 0.09 0.32 115.31 119.19 1ug7 h LEU 15 Ca -0.00 -0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.00 1ug7 h LEU 15 Cb 1.20 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1ug7 h LEU 15 CO 0.04 0.12 0.66 -0.07 0.09 0.00 0.00 178.44 179.28 1ug7 h LEU 16 N -0.99 0.00 0.00 1.67 3.38 -1.44 0.36 115.31 118.29 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 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ug7 h LEU 16 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1ug7 n GLN 17 N -3.67 0.00 -0.54 1.13 1.13 -1.13 -2.73 117.38 111.56 1ug7 n GLN 17 Ca 0.13 0.36 0.44 0.00 -1.94 0.00 0.00 57.00 55.98 1ug7 n GLN 17 Cb 0.89 -0.85 0.73 0.00 0.11 0.00 0.00 30.24 31.12 1ug7 n GLN 17 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1ug7 h ARG 18 N 0.00 0.03 0.23 -1.09 -0.00 0.04 0.53 114.38 114.13 1ug7 h ARG 18 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1ug7 h ARG 18 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1ug7 h ARG 18 CO 0.00 0.02 -0.11 -1.49 -0.00 0.00 0.00 179.97 178.39 1ug7 h TRP 19 N 0.03 -0.29 -1.15 4.08 6.55 -0.44 -2.28 115.95 122.45 1ug7 h TRP 19 Ca 0.86 -0.01 0.33 0.00 0.95 0.00 0.00 58.89 61.03 1ug7 h TRP 19 Cb 3.06 0.10 -0.05 0.00 -0.86 0.00 0.00 29.16 31.41 1ug7 h TRP 19 CO -0.00 -0.18 0.83 0.78 -1.05 0.00 0.00 178.44 178.81 1ug7 h GLY 20 N -0.49 0.02 1.62 1.49 0.00 -0.32 1.37 103.07 106.76 1ug7 h GLY 20 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 1ug7 h GLY 20 CO 0.05 -0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.26 1ug7 h ALA 21 N 1.43 1.05 0.63 3.60 0.00 -0.05 -0.83 119.26 125.09 1ug7 h ALA 21 Ca 0.55 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ug7 h ALA 21 Cb 2.19 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.88 1ug7 h ALA 21 CO -0.01 0.58 -0.30 0.77 0.00 0.00 0.00 179.25 180.29 1ug7 h SER 22 N 0.37 -0.72 0.08 0.00 0.02 0.24 -2.46 113.55 111.09 1ug7 h SER 22 Ca 0.05 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1ug7 h SER 22 Cb 0.75 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.43 1ug7 h SER 22 CO 0.06 -0.41 -0.46 0.25 -1.14 0.00 0.00 176.83 175.12 1ug7 h LEU 23 N -1.05 -1.39 -0.89 5.07 5.85 -1.48 0.35 115.31 121.76 1ug7 h LEU 23 Ca -0.09 0.16 0.23 0.00 0.84 0.00 0.00 57.88 59.02 1ug7 h LEU 23 Cb 0.65 0.53 -0.17 0.00 0.37 0.00 0.00 40.66 42.04 1ug7 h LEU 23 CO 0.14 -0.51 -0.05 0.54 -0.34 0.00 0.00 178.44 178.22 1ug7 n ARG 24 N -5.47 -0.07 -0.03 1.25 5.12 -0.32 0.13 116.66 117.27 1ug7 n ARG 24 Ca -0.07 1.35 -0.12 0.00 -1.93 0.00 0.00 57.85 57.08 1ug7 n ARG 24 Cb 0.39 -2.11 -0.07 0.00 -1.16 0.00 0.00 32.46 29.51 1ug7 n ARG 24 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1ug7 h ARG 25 N 0.00 0.17 -1.10 5.56 2.43 -0.68 -2.55 114.38 118.21 1ug7 h ARG 25 Ca 0.51 -0.05 0.32 0.00 -0.81 0.00 0.00 59.98 59.95 1ug7 h ARG 25 Cb 0.99 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 1ug7 h ARG 25 CO -0.86 0.40 0.89 0.78 -1.51 0.00 0.00 179.97 179.67 1ug7 h GLY 26 N -0.08 0.00 1.47 2.80 0.00 0.31 1.47 103.07 109.04 1ug7 h GLY 26 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.07 1ug7 h GLY 26 CO 0.00 0.00 -1.25 0.00 0.00 0.00 0.00 176.54 175.29 1ug7 h ALA 27 N 1.24 0.06 -0.63 3.60 0.00 -0.83 -1.91 119.26 120.79 1ug7 h ALA 27 Ca 0.52 -0.83 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1ug7 h ALA 27 Cb 2.30 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 20.13 1ug7 h ALA 27 CO -0.01 0.84 0.13 0.38 0.00 0.00 0.00 179.25 180.59 1ug7 h ASP 28 N 0.15 0.98 0.40 0.00 3.04 0.21 0.11 116.42 121.31 1ug7 h ASP 28 Ca -0.16 -0.24 -0.02 0.00 -3.24 0.00 0.00 57.03 53.36 1ug7 h ASP 28 Cb 1.95 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 39.99 1ug7 h ASP 28 CO 0.22 0.97 -0.19 -0.26 -2.04 0.00 0.00 179.24 177.94 1ug7 h PHE 29 N 0.94 -0.50 0.33 4.15 0.04 -0.91 -2.26 116.94 118.74 1ug7 h PHE 29 Ca 0.20 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1ug7 h PHE 29 Cb 0.39 0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 1ug7 h PHE 29 CO 0.03 -0.17 -0.50 0.22 -0.60 0.00 0.00 178.31 177.29 1ug7 h ASP 30 N -0.94 -1.42 -0.00 2.17 3.58 -1.34 1.59 116.42 120.06 1ug7 h ASP 30 Ca -0.05 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1ug7 h ASP 30 Cb 0.55 0.49 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1ug7 h ASP 30 CO 0.09 -0.60 -0.00 -1.28 -2.88 0.00 0.00 179.24 174.57 1ug7 h SER 31 N -0.87 -0.01 0.00 2.28 0.87 -0.86 -2.42 113.55 112.54 1ug7 h SER 31 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1ug7 h SER 31 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1ug7 h SER 31 CO -0.15 -0.00 0.00 0.79 -0.53 0.00 0.00 176.83 176.94 1ug7 n TRP 32 N -2.94 0.00 0.00 2.24 8.01 -0.85 -4.84 117.44 119.07 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 -0.46 0.00 0.00 -2.01 0.00 0.00 31.31 28.84 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 -0.99 0.00 2.34 6.99 0.00 0.86 -5.06 105.19 109.34 1ug7 n GLY 33 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 3.34 -0.27 1.61 6.02 0.51 -4.83 117.38 123.75 1ug7 n GLN 34 Ca 0.00 -4.13 0.20 0.00 -0.01 0.00 0.00 57.00 53.06 1ug7 n GLN 34 Cb 0.00 -2.27 0.37 0.00 1.02 0.00 0.00 30.24 29.36 1ug7 n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ug7 n LEU 35 N -0.62 0.11 0.17 1.08 4.77 -1.26 0.92 117.00 122.16 1ug7 n LEU 35 Ca 0.45 1.38 -0.12 0.00 -0.03 0.00 0.00 56.01 57.69 1ug7 n LEU 35 Cb 0.72 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1ug7 n LEU 35 CO 0.43 -1.48 0.51 0.58 -1.33 0.00 0.00 177.39 176.11 1ug7 h VAL 36 N 0.00 0.00 -0.75 4.08 2.07 -1.94 0.59 116.25 120.30 1ug7 h VAL 36 Ca 0.60 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.19 1ug7 h VAL 36 Cb 1.46 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1ug7 h VAL 36 CO -0.70 0.00 0.49 -0.33 0.02 0.00 0.00 177.57 177.05 1ug7 h GLU 37 N -0.64 0.78 0.62 1.57 5.08 0.14 -1.29 114.58 120.83 1ug7 h GLU 37 Ca -0.04 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1ug7 h GLU 37 Cb 0.57 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ug7 h GLU 37 CO -0.07 0.51 -0.36 0.00 -1.00 0.00 0.00 179.01 178.09 1ug7 h ALA 38 N 1.59 -0.94 0.06 3.43 0.00 0.99 0.21 119.26 124.60 1ug7 h ALA 38 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ug7 h ALA 38 Cb 0.24 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ug7 h ALA 38 CO -0.11 -1.04 -0.14 0.82 0.00 0.00 0.00 179.25 178.78 1ug7 h ILE 39 N -0.92 0.00 -0.99 0.00 2.04 0.72 0.13 117.51 118.48 1ug7 h ILE 39 Ca -0.08 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.95 1ug7 h ILE 39 Cb 0.74 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.65 1ug7 h ILE 39 CO 0.09 0.00 -0.35 -0.78 0.00 0.00 0.00 178.15 177.11 1ug7 h ASP 40 N -0.22 -1.30 -0.04 1.72 3.58 -1.26 0.67 116.42 119.57 1ug7 h ASP 40 Ca -0.01 0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.77 1ug7 h ASP 40 Cb 0.21 0.72 -0.05 0.00 1.72 0.00 0.00 39.33 41.94 1ug7 h ASP 40 CO -0.06 -0.30 -0.42 -0.08 -2.88 0.00 0.00 179.24 175.50 1ug7 h GLU 41 N -0.00 -0.48 -0.12 0.28 4.22 0.04 0.41 114.58 118.92 1ug7 h GLU 41 Ca 0.38 0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.90 1ug7 h GLU 41 Cb 0.63 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 1ug7 h GLU 41 CO -1.00 -0.32 -0.24 1.88 -2.18 0.00 0.00 179.01 177.16 1ug7 h TYR 42 N -0.49 -0.63 -0.12 0.92 0.05 0.20 -0.77 116.97 116.13 1ug7 h TYR 42 Ca 0.02 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.85 1ug7 h TYR 42 Cb 0.55 0.30 -0.06 0.00 1.01 0.00 0.00 36.73 38.52 1ug7 h TYR 42 CO -0.51 -0.32 -0.52 1.96 -1.05 0.00 0.00 178.16 177.72 1ug7 h GLN 43 N -0.31 -0.55 -0.34 4.88 4.20 0.68 0.94 115.11 124.61 1ug7 h GLN 43 Ca 0.10 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.89 1ug7 h GLN 43 Cb 0.45 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 1ug7 h GLN 43 CO -0.30 -0.37 -0.48 0.82 -0.67 0.00 0.00 178.83 177.84 1ug7 h ILE 44 N -0.57 0.00 -0.97 2.54 5.03 0.12 0.74 117.51 124.41 1ug7 h ILE 44 Ca 0.03 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.96 1ug7 h ILE 44 Cb 0.66 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.34 1ug7 h ILE 44 CO -0.41 0.00 0.56 0.25 -0.68 0.00 0.00 178.15 177.87 1ug7 h LEU 45 N -0.35 0.68 0.16 1.44 5.85 -0.56 0.11 115.31 122.64 1ug7 h LEU 45 Ca 0.06 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ug7 h LEU 45 Cb 0.52 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1ug7 h LEU 45 CO -0.50 0.21 -0.11 0.00 -0.34 0.00 0.00 178.44 177.70 1ug7 h ALA 46 N 1.65 -0.26 -0.24 1.25 0.00 0.52 0.06 119.26 122.24 1ug7 h ALA 46 Ca 0.57 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1ug7 h ALA 46 Cb 0.92 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1ug7 h ALA 46 CO -0.41 -0.65 -0.12 0.00 0.00 0.00 0.00 179.25 178.07 1ug7 h ARG 47 N -0.27 -0.08 -0.05 0.00 3.08 0.26 -2.22 114.38 115.10 1ug7 h ARG 47 Ca -0.01 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1ug7 h ARG 47 Cb 0.24 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1ug7 h ARG 47 CO 0.01 -0.05 -0.31 0.45 -1.07 0.00 0.00 179.97 178.99 1ug7 h HIS 48 N -0.08 -0.85 -1.36 3.04 3.86 -0.65 0.15 115.15 119.25 1ug7 h HIS 48 Ca 0.13 0.03 0.46 0.00 -1.16 0.00 0.00 60.37 59.84 1ug7 h HIS 48 Cb 0.28 0.38 -0.14 0.00 1.06 0.00 0.00 27.41 28.99 1ug7 h HIS 48 CO -0.29 -0.40 0.87 -0.07 0.86 0.00 0.00 177.93 178.90 1ug7 h LEU 49 N -0.43 0.21 0.16 2.43 3.38 -0.38 0.94 115.31 121.63 1ug7 h LEU 49 Ca 0.08 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1ug7 h LEU 49 Cb 0.54 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ug7 h LEU 49 CO -0.29 -0.24 -0.08 1.56 0.09 0.00 0.00 178.44 179.48 1ug7 h GLN 50 N 0.03 -0.21 -1.56 1.13 4.20 -0.40 0.29 115.11 118.58 1ug7 h GLN 50 Ca 0.86 0.01 0.45 0.00 0.06 0.00 0.00 58.65 60.04 1ug7 h GLN 50 Cb 2.75 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 30.52 1ug7 h GLN 50 CO -0.46 0.18 1.24 -0.22 -0.67 0.00 0.00 178.83 178.91 1ug7 h LYS 51 N -0.68 0.00 0.03 1.46 1.63 0.16 1.79 116.57 120.95 1ug7 h LYS 51 Ca -0.02 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.42 1ug7 h LYS 51 Cb 0.49 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.07 1ug7 h LYS 51 CO 0.04 0.00 -2.19 0.39 -3.45 0.00 0.00 179.45 174.24 1ug7 n GLU 52 N -3.80 0.68 0.08 1.90 -0.58 -0.89 -3.56 120.64 114.46 1ug7 n GLU 52 Ca 0.35 0.16 -0.03 0.00 -0.42 0.00 0.00 57.16 57.22 1ug7 n GLU 52 Cb 1.72 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 30.96 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 0.51 -0.61 -0.33 0.62 0.00 0.61 -3.12 119.26 116.93 1ug7 h ALA 53 Ca -0.48 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.48 1ug7 h ALA 53 Cb 2.05 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 1ug7 h ALA 53 CO 0.02 -0.60 0.43 -0.56 0.00 0.00 0.00 179.25 178.54 1ug7 h GLN 54 N -0.33 0.00 -7.03 0.00 3.07 0.21 -3.41 115.11 107.63 1ug7 h GLN 54 Ca -0.02 0.00 -0.46 0.00 0.09 0.00 0.00 58.65 58.25 1ug7 h GLN 54 Cb 0.16 0.00 0.07 0.00 0.08 0.00 0.00 27.48 27.79 1ug7 h GLN 54 CO 0.04 0.00 0.07 0.00 0.09 0.00 0.00 178.83 179.02 1ug7 s ALA 55 N -4.51 3.82 0.01 0.06 0.00 -1.18 -4.99 121.76 114.97 1ug7 s ALA 55 Ca -0.04 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1ug7 s ALA 55 Cb 0.14 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1ug7 s ALA 55 CO 0.49 -1.29 0.00 0.94 0.00 0.00 0.00 175.76 175.89 1ug7 n GLN 56 N -2.70 0.00 -0.08 0.00 7.27 -1.26 -4.84 117.38 115.76 1ug7 n GLN 56 Ca 0.14 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.02 1ug7 n GLN 56 Cb 0.61 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.13 1ug7 n GLN 56 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ug7 h HIS 57 N 0.00 0.03 -0.56 3.69 3.86 -1.94 -3.13 115.15 117.10 1ug7 h HIS 57 Ca 0.00 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1ug7 h HIS 57 Cb 0.00 -0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 1ug7 h HIS 57 CO 0.00 1.30 -0.45 -0.91 0.86 0.00 0.00 177.93 178.73 1ug7 h ASN 58 N -0.95 -1.58 -1.27 2.45 2.35 -1.97 -3.39 115.58 111.21 1ug7 h ASN 58 Ca -0.20 0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1ug7 h ASN 58 Cb 1.21 0.68 -0.24 0.00 0.05 0.00 0.00 38.32 40.02 1ug7 h ASN 58 CO -0.11 -0.25 -0.44 0.20 -1.65 0.00 0.00 177.43 175.18 1ug7 s ASN 59 N -4.76 -0.85 0.00 5.81 0.01 -1.26 -5.11 114.94 108.77 1ug7 s ASN 59 Ca -0.10 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1ug7 s ASN 59 Cb 0.08 1.68 0.00 0.00 0.41 0.00 0.00 41.25 43.41 1ug7 s ASN 59 CO 0.48 -0.32 0.00 -1.20 -1.51 0.00 0.00 177.10 174.55 1ug7 n SER 60 N 5.38 0.00 -2.44 -1.22 7.64 -1.18 -4.31 113.62 117.50 1ug7 n SER 60 Ca 0.03 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 1ug7 n SER 60 Cb 0.52 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.78 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ug7 n GLU 61 N 0.00 2.57 -4.37 1.43 4.71 -1.26 -4.51 120.64 119.21 1ug7 n GLU 61 Ca 0.00 -3.06 -0.28 0.00 -0.01 0.00 0.00 57.16 53.81 1ug7 n GLU 61 Cb 0.00 -2.19 -0.13 0.00 -1.01 0.00 0.00 31.44 28.11 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 -3.49 2.21 0.54 -0.32 0.08 -1.26 -4.79 117.98 110.95 1ug7 s PHE 62 Ca 0.57 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 57.14 1ug7 s PHE 62 Cb 0.45 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 1ug7 s PHE 62 CO -0.13 0.32 0.91 -0.08 -0.10 0.00 0.00 175.22 176.14 1ug7 s THR 63 N -1.10 4.79 0.16 0.64 -1.32 -1.26 -4.74 115.64 112.81 1ug7 s THR 63 Ca 0.13 0.60 -0.26 0.00 -1.21 0.00 0.00 61.69 60.94 1ug7 s THR 63 Cb -0.10 -3.85 -0.01 0.00 -1.51 0.00 0.00 72.50 67.03 1ug7 s THR 63 CO 0.06 -0.96 1.43 -0.62 -2.21 0.00 0.00 174.62 172.32 1ug7 n GLU 64 N -2.40 -0.37 -0.19 7.08 1.02 -1.26 0.28 120.64 124.80 1ug7 n GLU 64 Ca 0.04 1.41 -0.06 0.00 -0.02 0.00 0.00 57.16 58.52 1ug7 n GLU 64 Cb 0.54 -2.07 -0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1ug7 n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ug7 h GLU 65 N 0.00 -0.18 0.02 3.49 5.08 -1.98 0.65 114.58 121.66 1ug7 h GLU 65 Ca 0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1ug7 h GLU 65 Cb 0.41 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ug7 h GLU 65 CO -0.88 -0.12 -0.08 1.96 -1.00 0.00 0.00 179.01 178.89 1ug7 h GLN 66 N -0.18 -0.11 -1.10 2.33 4.20 -0.51 0.11 115.11 119.85 1ug7 h GLN 66 Ca 0.22 0.01 0.32 0.00 0.06 0.00 0.00 58.65 59.25 1ug7 h GLN 66 Cb 0.55 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1ug7 h GLN 66 CO -0.65 -0.07 0.84 1.57 -0.67 0.00 0.00 178.83 179.84 1ug7 h LYS 67 N -0.11 0.00 0.69 1.46 2.10 -0.56 0.26 116.57 120.40 1ug7 h LYS 67 Ca -0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1ug7 h LYS 67 Cb 0.12 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1ug7 h LYS 67 CO -0.05 0.00 -0.33 -0.22 -2.00 0.00 0.00 179.45 176.85 1ug7 h LYS 68 N 0.00 -0.89 -0.01 0.07 3.64 0.26 -1.10 116.57 118.54 1ug7 h LYS 68 Ca 0.52 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.97 1ug7 h LYS 68 Cb 2.19 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 34.20 1ug7 h LYS 68 CO -0.01 -0.59 -0.05 1.15 -2.27 0.00 0.00 179.45 177.69 1ug7 h THR 69 N -1.02 0.88 -0.80 1.00 2.02 0.13 -0.34 112.91 114.78 1ug7 h THR 69 Ca -0.09 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.26 1ug7 h THR 69 Cb 0.71 0.88 -0.15 0.00 -1.74 0.00 0.00 68.15 67.85 1ug7 h THR 69 CO 0.16 0.00 -0.14 0.40 0.37 0.00 0.00 175.52 176.31 1ug7 h ILE 70 N -0.07 0.22 0.00 3.11 2.04 -0.62 1.50 117.51 123.68 1ug7 h ILE 70 Ca 0.02 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 1ug7 h ILE 70 Cb 0.11 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1ug7 h ILE 70 CO -0.06 0.00 -0.39 1.23 0.00 0.00 0.00 178.15 178.94 1ug7 h GLY 71 N 0.02 0.00 1.50 5.37 0.00 -0.66 -2.53 103.07 106.78 1ug7 h GLY 71 Ca 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.56 1ug7 h GLY 71 CO -0.79 0.00 -0.64 0.50 0.00 0.00 0.00 176.54 175.61 1ug7 h LYS 72 N 0.00 0.51 -0.63 4.80 1.57 0.33 -2.80 116.57 120.36 1ug7 h LYS 72 Ca -0.00 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1ug7 h LYS 72 Cb 0.69 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1ug7 h LYS 72 CO 0.05 0.98 0.40 0.82 -0.57 0.00 0.00 179.45 181.13 1ug7 h ILE 73 N 0.37 1.12 0.19 1.86 2.04 0.13 -2.57 117.51 120.65 1ug7 h ILE 73 Ca -0.01 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1ug7 h ILE 73 Cb 1.20 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1ug7 h ILE 73 CO 0.12 0.15 -0.27 0.00 0.00 0.00 0.00 178.15 178.14 1ug7 h ALA 74 N 1.25 -0.52 -0.77 1.87 0.00 -1.40 -2.64 119.26 117.06 1ug7 h ALA 74 Ca 0.24 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1ug7 h ALA 74 Cb -0.04 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 1ug7 h ALA 74 CO -0.08 -0.83 -0.45 2.41 0.00 0.00 0.00 179.25 180.30 1ug7 n THR 75 N -5.39 -0.52 -0.20 0.00 -1.04 -0.98 0.21 114.28 106.35 1ug7 n THR 75 Ca -0.08 2.03 -0.12 0.00 -2.04 0.00 0.00 64.05 63.84 1ug7 n THR 75 Cb 0.30 -2.52 -0.09 0.00 -1.82 0.00 0.00 70.33 66.20 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 -5.36 -0.60 -0.32 0.00 4.77 0.13 0.16 117.00 115.79 1ug7 n LEU 77 Ca -0.02 1.21 0.06 0.00 -0.03 0.00 0.00 56.01 57.23 1ug7 n LEU 77 Cb 0.33 -0.24 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 1ug7 n LEU 77 CO -0.03 -0.92 0.59 -0.62 -1.33 0.00 0.00 177.39 175.08 1ug7 n GLU 78 N -4.37 -0.08 0.38 3.23 -0.58 -0.16 0.50 120.64 119.56 1ug7 n GLU 78 Ca 0.01 1.38 -0.18 0.00 -0.42 0.00 0.00 57.16 57.94 1ug7 n GLU 78 Cb 0.15 -2.06 -0.09 0.00 -0.57 0.00 0.00 31.44 28.86 1ug7 n GLU 78 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ug7 h LEU 79 N 0.00 -1.04 0.02 -4.62 -0.00 0.19 -1.27 115.31 108.59 1ug7 h LEU 79 Ca 0.43 0.06 0.01 0.00 -0.00 0.00 0.00 57.88 58.38 1ug7 h LEU 79 Cb 0.66 0.30 -0.02 0.00 -0.00 0.00 0.00 40.66 41.60 1ug7 h LEU 79 CO -0.91 -0.65 -0.25 -0.09 -0.00 0.00 0.00 178.44 176.54 1ug7 h ARG 80 N -1.03 -0.32 -1.12 1.13 9.65 0.15 1.65 114.38 124.49 1ug7 h ARG 80 Ca -0.09 0.02 0.44 0.00 -1.10 0.00 0.00 59.98 59.25 1ug7 h ARG 80 Cb 0.83 0.07 -0.17 0.00 -1.39 0.00 0.00 29.97 29.32 1ug7 h ARG 80 CO 0.09 -0.22 0.65 0.43 2.80 0.00 0.00 179.97 183.72 1ug7 n SER 81 N -3.89 0.31 0.01 -3.80 7.64 0.17 0.18 113.62 114.23 1ug7 n SER 81 Ca -0.04 1.57 -0.18 0.00 1.01 0.00 0.00 58.87 61.24 1ug7 n SER 81 Cb 0.19 -0.77 -0.12 0.00 -1.01 0.00 0.00 64.21 62.50 1ug7 n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ug7 h ALA 82 N 1.87 0.02 -0.91 -0.43 0.00 0.22 -3.16 119.26 116.87 1ug7 h ALA 82 Ca 0.86 -0.58 0.25 0.00 0.00 0.00 0.00 54.91 55.44 1ug7 h ALA 82 Cb 2.43 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 20.11 1ug7 h ALA 82 CO -0.67 0.29 0.13 0.00 0.00 0.00 0.00 179.25 178.99 1ug7 h ALA 83 N 0.23 1.19 0.44 0.00 0.00 1.32 1.54 119.26 123.98 1ug7 h ALA 83 Ca -0.08 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ug7 h ALA 83 Cb 1.33 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1ug7 h ALA 83 CO 0.11 -0.52 -0.21 -0.07 0.00 0.00 0.00 179.25 178.55 1ug7 h LEU 84 N 0.10 -0.50 0.07 0.00 3.38 -1.16 -3.03 115.31 114.16 1ug7 h LEU 84 Ca 0.56 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.56 1ug7 h LEU 84 Cb 1.15 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1ug7 h LEU 84 CO -0.77 -0.36 -0.11 1.56 0.09 0.00 0.00 178.44 178.85 1ug7 h GLN 85 N -0.59 -0.22 -6.36 1.13 4.20 -0.17 -3.43 115.11 109.66 1ug7 h GLN 85 Ca -0.06 0.02 -0.59 0.00 0.06 0.00 0.00 58.65 58.07 1ug7 h GLN 85 Cb 0.46 0.05 0.17 0.00 0.30 0.00 0.00 27.48 28.45 1ug7 h GLN 85 CO 0.10 -0.15 -0.56 -1.13 -0.67 0.00 0.00 178.83 176.42 1ug7 n SER 86 N -5.24 -1.57 0.00 1.46 3.41 0.48 -4.92 113.62 107.24 1ug7 n SER 86 Ca -0.07 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1ug7 n SER 86 Cb 0.16 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1ug7 n SER 86 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ug7 n THR 87 N -1.50 0.00 -0.09 6.66 5.66 -1.26 -4.91 114.28 118.84 1ug7 n THR 87 Ca 0.11 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.88 1ug7 n THR 87 Cb 0.46 -0.66 -0.12 0.00 -1.55 0.00 0.00 70.33 68.46 1ug7 n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ug7 n GLN 88 N -2.41 0.60 -1.54 1.09 6.02 -1.26 -4.93 117.38 114.95 1ug7 n GLN 88 Ca 0.00 0.48 -0.46 0.00 -0.01 0.00 0.00 57.00 57.01 1ug7 n GLN 88 Cb 0.22 -1.71 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ug7 n SER 89 N -4.23 0.57 -3.38 1.08 2.88 -1.26 -4.96 113.62 104.33 1ug7 n SER 89 Ca -0.35 1.17 -0.22 0.00 -1.33 0.00 0.00 58.87 58.14 1ug7 n SER 89 Cb 0.77 -1.19 -0.09 0.00 -0.75 0.00 0.00 64.21 62.95 1ug7 n SER 89 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ug7 s GLN 90 N -1.39 0.66 0.00 -1.46 0.74 -1.26 -4.91 119.66 112.04 1ug7 s GLN 90 Ca 0.60 -1.19 0.00 0.00 0.05 0.00 0.00 55.36 54.82 1ug7 s GLN 90 Cb -0.77 -0.98 0.00 0.00 1.10 0.00 0.00 33.01 32.36 1ug7 s GLN 90 CO 0.59 -1.23 0.00 0.39 -0.55 0.00 0.00 175.29 174.49 1ug7 n GLU 91 N 3.94 0.00 -1.60 1.67 1.02 -1.26 -5.17 120.64 119.24 1ug7 n GLU 91 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1ug7 n GLU 91 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 1ug7 n GLU 91 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1ug7 n GLU 92 N 0.00 2.18 -1.67 3.49 0.00 -1.26 -5.13 120.64 118.25 1ug7 n GLU 92 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1ug7 n GLU 92 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 31.44 31.49 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1ug7 s PHE 93 N -0.71 2.75 0.00 -1.84 5.36 -1.26 -5.03 117.98 117.24 1ug7 s PHE 93 Ca 0.00 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1ug7 s PHE 93 Cb 0.00 -3.07 0.00 0.00 -0.34 0.00 0.00 43.02 39.61 1ug7 s PHE 93 CO 0.00 -1.54 0.00 0.36 -1.46 0.00 0.00 175.22 172.58 1ug7 n LYS 94 N -2.70 2.26 0.05 10.12 2.85 -1.26 -4.63 118.16 124.85 1ug7 n LYS 94 Ca 0.09 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.14 1ug7 n LYS 94 Cb 0.53 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.76 1ug7 n LYS 94 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1ug7 h LEU 95 N 0.00 0.51 -0.01 -5.58 3.38 -1.98 -2.88 115.31 108.75 1ug7 h LEU 95 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1ug7 h LEU 95 Cb 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1ug7 h LEU 95 CO 0.00 1.55 0.01 1.05 0.09 0.00 0.00 178.44 181.14 1ug7 h GLU 96 N -0.23 0.02 -0.05 1.13 4.11 -1.97 0.87 114.58 118.45 1ug7 h GLU 96 Ca -0.23 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.18 1ug7 h GLU 96 Cb 1.80 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.04 1ug7 h GLU 96 CO 0.14 0.03 -0.03 -0.44 0.07 0.00 0.00 179.01 178.78 1ug7 h ASP 97 N -0.00 0.06 0.24 3.06 3.32 -1.98 0.71 116.42 121.82 1ug7 h ASP 97 Ca 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ug7 h ASP 97 Cb 0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ug7 h ASP 97 CO -0.00 0.10 -0.11 0.25 -1.72 0.00 0.00 179.24 177.76 1ug7 h LEU 98 N 0.06 -0.27 -2.05 1.55 5.85 -1.07 -3.13 115.31 116.25 1ug7 h LEU 98 Ca 0.02 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ug7 h LEU 98 Cb 0.10 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1ug7 h LEU 98 CO 0.00 0.23 0.32 0.50 -0.34 0.00 0.00 178.44 179.15 1ug7 h LYS 99 N -1.05 0.00 0.00 1.25 1.63 0.96 1.20 116.57 120.56 1ug7 h LYS 99 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ug7 h LYS 99 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1ug7 h LYS 99 CO 0.05 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.68 1ug7 n LYS 100 N -2.99 0.03 0.00 1.90 5.02 0.22 -0.65 118.16 121.69 1ug7 n LYS 100 Ca -0.01 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 1ug7 n LYS 100 Cb 0.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.46 1.08 0.03 -0.35 4.77 0.41 -3.87 117.00 117.61 1ug7 n LEU 101 Ca 0.04 -0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 1ug7 n LEU 101 Cb 0.14 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1ug7 n LEU 101 CO 0.11 0.25 0.80 -0.08 -1.33 0.00 0.00 177.39 177.14 1ug7 h GLU 102 N 0.40 -0.02 -0.00 3.23 4.22 -0.95 -2.05 114.58 119.41 1ug7 h GLU 102 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ug7 h GLU 102 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ug7 h GLU 102 CO 0.00 0.11 -0.00 -1.00 -2.18 0.00 0.00 179.01 175.94 1ug7 h PRO 103 N -0.15 0.00 -0.70 0.92 0.13 -1.75 -3.27 132.00 127.18 1ug7 h PRO 103 Ca -0.00 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1ug7 h PRO 103 Cb 0.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.18 1ug7 h PRO 103 CO 0.00 0.75 -0.50 0.82 -0.23 0.00 0.00 178.00 178.84 1ug7 h ILE 104 N -0.74 0.00 -1.13 -3.56 2.04 -1.67 1.81 117.51 114.26 1ug7 h ILE 104 Ca -0.00 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.24 1ug7 h ILE 104 Cb 0.75 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.69 1ug7 h ILE 104 CO 0.00 0.00 0.68 -0.07 0.00 0.00 0.00 178.15 178.76 1ug7 h LEU 105 N -0.11 0.36 0.11 1.44 3.38 -1.48 2.08 115.31 121.09 1ug7 h LEU 105 Ca 0.11 0.18 -0.29 0.00 0.09 0.00 0.00 57.88 57.97 1ug7 h LEU 105 Cb 0.40 0.15 0.03 0.00 0.09 0.00 0.00 40.66 41.34 1ug7 h LEU 105 CO -0.72 -0.20 -1.21 0.11 0.09 0.00 0.00 178.44 176.51 1ug7 h LYS 106 N 0.17 0.62 -0.87 1.13 1.57 0.19 -3.11 116.57 116.27 1ug7 h LYS 106 Ca 0.78 -0.82 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1ug7 h LYS 106 Cb 2.14 0.27 -0.05 0.00 0.08 0.00 0.00 32.23 34.67 1ug7 h LYS 106 CO -0.55 1.37 0.11 0.09 -0.57 0.00 0.00 179.45 179.90 1ug7 n ASN 107 N -3.82 3.32 -0.33 0.86 3.02 0.50 -4.21 115.26 114.61 1ug7 n ASN 107 Ca -0.14 -2.56 -0.01 0.00 -0.03 0.00 0.00 54.58 51.85 1ug7 n ASN 107 Cb 0.97 -0.62 0.16 0.00 -0.61 0.00 0.00 39.78 39.68 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 1.45 1.23 0.19 2.41 1.08 0.27 -1.70 117.51 122.43 1ug7 h ILE 108 Ca 0.10 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1ug7 h ILE 108 Cb 1.45 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1ug7 h ILE 108 CO 0.34 0.23 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.87 1ug7 h LEU 109 N 1.25 -0.21 -3.89 1.44 3.38 -1.84 -2.92 115.31 112.51 1ug7 h LEU 109 Ca 0.34 -0.17 -0.35 0.00 0.09 0.00 0.00 57.88 57.79 1ug7 h LEU 109 Cb -0.13 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.54 1ug7 h LEU 109 CO -0.08 0.05 0.29 1.07 0.09 0.00 0.00 178.44 179.87 1ug7 n THR 110 N -5.10 2.95 -3.64 0.22 5.66 -0.95 -4.86 114.28 108.56 1ug7 n THR 110 Ca -0.09 -2.06 -0.39 0.00 -3.05 0.00 0.00 64.05 58.46 1ug7 n THR 110 Cb 0.20 -1.51 -0.12 0.00 -1.55 0.00 0.00 70.33 67.35 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 -1.36 3.18 -0.35 1.09 5.04 -0.68 -4.95 117.35 119.32 1ug7 s TYR 111 Ca 0.43 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 1ug7 s TYR 111 Cb 0.29 -2.36 0.33 0.00 0.35 0.00 0.00 41.96 40.57 1ug7 s TYR 111 CO -0.09 -0.41 1.82 0.27 -1.34 0.00 0.00 175.55 175.81 1ug7 n ASN 112 N 5.00 5.34 -0.80 4.32 0.23 -1.26 -5.00 115.26 123.08 1ug7 n ASN 112 Ca -0.14 -3.12 0.06 0.00 -0.53 0.00 0.00 54.58 50.85 1ug7 n ASN 112 Cb 0.50 -0.89 -0.02 0.00 -2.08 0.00 0.00 39.78 37.29 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ug7 n LYS 113 N -0.19 -0.92 -1.35 -3.83 5.02 -1.26 -5.00 118.16 110.63 1ug7 n LYS 113 Ca 0.37 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1ug7 n LYS 113 Cb 0.86 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 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 -2.10 0.00 -2.21 1.97 2.13 -1.26 -5.01 120.64 114.15 1ug7 n GLU 114 Ca 0.00 0.45 -0.40 0.00 0.66 0.00 0.00 57.16 57.87 1ug7 n GLU 114 Cb 0.21 -1.31 -0.02 0.00 0.27 0.00 0.00 31.44 30.59 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1ug7 s PHE 115 N -0.82 3.15 -1.96 4.31 2.19 -1.26 -4.89 117.98 118.70 1ug7 s PHE 115 Ca 0.00 1.49 0.24 0.00 0.33 0.00 0.00 56.93 58.99 1ug7 s PHE 115 Cb 0.00 -3.56 1.40 0.00 -1.31 0.00 0.00 43.02 39.55 1ug7 s PHE 115 CO 0.00 -1.53 1.79 -0.35 1.83 0.00 0.00 175.22 176.96 1ug7 n PRO 116 N 0.75 0.71 -3.99 10.12 -0.04 -1.26 -4.71 135.00 136.57 1ug7 n PRO 116 Ca 0.01 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 1ug7 n PRO 116 Cb 0.43 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.04 0.32 -0.87 0.54 0.08 -1.26 -5.09 117.98 109.65 1ug7 s PHE 117 Ca 0.35 -0.36 -0.25 0.00 0.12 0.00 0.00 56.93 56.79 1ug7 s PHE 117 Cb 0.16 -0.21 0.02 0.00 -0.57 0.00 0.00 43.02 42.42 1ug7 s PHE 117 CO 0.28 -0.10 1.56 -0.51 -0.10 0.00 0.00 175.22 176.35 1ug7 s ASP 118 N -1.02 5.98 -0.17 1.36 1.01 -1.26 -4.89 116.67 117.67 1ug7 s ASP 118 Ca -0.09 -0.81 -0.04 0.00 0.71 0.00 0.00 52.55 52.32 1ug7 s ASP 118 Cb -0.07 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.39 1ug7 s ASP 118 CO -0.00 -1.96 0.25 0.68 0.21 0.00 0.00 175.17 174.35 1ug7 s VAL 119 N 6.75 -0.39 0.77 -1.27 -7.23 -1.26 -5.08 120.40 112.68 1ug7 s VAL 119 Ca 0.51 0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.64 1ug7 s VAL 119 Cb -0.05 -0.59 0.05 0.00 0.56 0.00 0.00 36.38 36.36 1ug7 s VAL 119 CO 0.02 -0.05 1.08 -1.10 -0.31 0.00 0.00 175.10 174.74 1ug7 s GLN 120 N 2.39 2.29 0.48 4.82 -0.21 -1.26 -4.86 119.66 123.31 1ug7 s GLN 120 Ca 0.05 1.00 -0.21 0.00 0.02 0.00 0.00 55.36 56.22 1ug7 s GLN 120 Cb -0.14 -1.91 -0.09 0.00 1.00 0.00 0.00 33.01 31.87 1ug7 s GLN 120 CO -0.11 -1.57 1.04 -1.25 -2.12 0.00 0.00 175.29 171.28 1ug7 s PRO 121 N -4.98 3.84 0.37 2.91 0.04 -1.26 -4.54 135.00 131.38 1ug7 s PRO 121 Ca 0.60 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 1ug7 s PRO 121 Cb -0.16 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 1ug7 s PRO 121 CO 0.56 -0.40 1.51 0.42 0.04 0.00 0.00 177.00 179.12 1ug7 s ILE 122 N -1.95 2.03 0.39 0.56 1.09 -1.07 -4.58 121.20 117.68 1ug7 s ILE 122 Ca 0.66 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 60.25 1ug7 s ILE 122 Cb -0.17 -3.02 0.00 0.00 -1.06 0.00 0.00 42.46 38.21 1ug7 s ILE 122 CO 0.21 0.01 0.00 -1.20 -0.10 0.00 0.00 174.94 173.85 1ug7 n SER 123 N 0.66 -8.37 -3.45 3.58 7.64 -1.26 -4.85 113.62 107.58 1ug7 n SER 123 Ca 0.02 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1ug7 n SER 123 Cb 0.39 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 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 -0.10 -1.33 3.78 0.23 0.00 -1.26 -5.03 105.19 101.48 1ug7 n GLY 124 Ca 0.00 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 0.92 -0.26 1.61 0.04 -1.26 -5.06 135.00 130.98 1ug7 s PRO 125 Ca 0.00 0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.23 1ug7 s PRO 125 Cb 0.00 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.80 1ug7 s PRO 125 CO 0.00 -2.33 0.05 0.45 0.04 0.00 0.00 177.00 175.21 1ug7 s SER 126 N -4.10 3.61 -0.35 6.66 0.15 -1.26 -4.93 113.70 113.48 1ug7 s SER 126 Ca 0.65 -1.28 -0.16 0.00 0.70 0.00 0.00 55.95 55.86 1ug7 s SER 126 Cb -0.13 -0.82 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 1ug7 s SER 126 CO 0.53 -0.35 0.40 -1.20 1.20 0.00 0.00 173.24 173.83 1ug7 n SER 127 N 4.89 -7.27 0.00 5.45 7.64 -1.26 -5.35 113.62 117.72 1ug7 n SER 127 Ca -0.06 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1ug7 n SER 127 Cb 0.44 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.56 1ug7 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64