#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 -0.64 -0.34 1.61 1.04 -1.26 -5.13 113.70 108.98 1ug7 s SER 2 Ca 0.00 1.12 -0.29 0.00 0.48 0.00 0.00 55.95 57.26 1ug7 s SER 2 Cb 0.00 1.20 0.02 0.00 0.10 0.00 0.00 66.02 67.33 1ug7 s SER 2 CO 0.00 -0.18 1.13 -0.44 0.98 0.00 0.00 173.24 174.73 1ug7 s SER 3 N 0.86 6.83 0.00 7.02 0.01 -1.26 -4.88 113.70 122.28 1ug7 s SER 3 Ca -0.03 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1ug7 s SER 3 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1ug7 s SER 3 CO -0.10 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.17 1ug7 n GLY 4 N 4.14 3.44 2.77 3.44 0.00 -1.26 -5.10 105.19 112.62 1ug7 n GLY 4 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1ug7 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ug7 n SER 5 N 0.00 -4.10 -4.82 1.61 7.64 -1.26 -4.94 113.62 107.74 1ug7 n SER 5 Ca 0.00 1.22 -0.32 0.00 1.01 0.00 0.00 58.87 60.78 1ug7 n SER 5 Cb 0.00 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 1ug7 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ug7 s SER 6 N -0.83 5.98 0.00 6.43 0.01 -1.26 -4.82 113.70 119.21 1ug7 s SER 6 Ca -0.14 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1ug7 s SER 6 Cb 0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1ug7 s SER 6 CO 0.58 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1ug7 n GLY 7 N -1.43 0.74 3.53 3.44 0.00 -1.21 -4.83 105.19 105.43 1ug7 n GLY 7 Ca 0.08 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1ug7 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ug7 n MET 8 N 0.90 0.65 -3.31 1.61 1.56 -1.26 -4.66 117.12 112.61 1ug7 n MET 8 Ca 0.00 -0.07 -0.26 0.00 -0.27 0.00 0.00 57.70 57.10 1ug7 n MET 8 Cb 0.00 -2.80 -0.09 0.00 2.15 0.00 0.00 33.22 32.48 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 14.19 -0.05 0.00 6.12 2.88 -1.26 -4.85 113.62 130.66 1ug7 n SER 9 Ca 0.48 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1ug7 n SER 9 Cb 0.37 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 2.15 0.00 -0.01 -1.46 4.07 -1.26 -4.08 120.64 120.05 1ug7 n GLU 10 Ca 0.26 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.34 1ug7 n GLU 10 Cb 0.50 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.87 1ug7 n GLU 10 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ug7 h VAL 11 N 0.00 0.00 -0.67 6.31 2.07 -1.94 0.59 116.25 122.61 1ug7 h VAL 11 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1ug7 h VAL 11 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 1ug7 h VAL 11 CO 0.00 0.00 0.21 0.74 0.02 0.00 0.00 177.57 178.54 1ug7 h THR 12 N -0.06 0.66 -0.86 2.57 2.02 -1.83 -0.10 112.91 115.31 1ug7 h THR 12 Ca 0.01 -0.12 0.22 0.00 0.77 0.00 0.00 66.41 67.29 1ug7 h THR 12 Cb 0.08 0.28 -0.14 0.00 -1.74 0.00 0.00 68.15 66.62 1ug7 h THR 12 CO -0.06 0.06 0.19 -0.09 0.37 0.00 0.00 175.52 175.99 1ug7 h ARG 13 N 0.35 0.18 -0.56 6.66 2.43 -1.58 1.44 114.38 123.29 1ug7 h ARG 13 Ca 0.36 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.61 1ug7 h ARG 13 Cb 0.52 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1ug7 h ARG 13 CO -0.39 0.12 0.38 1.03 -1.51 0.00 0.00 179.97 179.59 1ug7 h SER 14 N 0.18 0.31 0.00 -3.80 0.87 0.10 -1.01 113.55 110.21 1ug7 h SER 14 Ca 0.53 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1ug7 h SER 14 Cb 1.05 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1ug7 h SER 14 CO -0.67 0.19 0.00 -0.11 -0.53 0.00 0.00 176.83 175.71 1ug7 n LEU 15 N -4.46 0.02 -0.66 2.23 7.94 0.49 0.42 117.00 122.97 1ug7 n LEU 15 Ca 0.09 0.77 0.51 0.00 -1.11 0.00 0.00 56.01 56.28 1ug7 n LEU 15 Cb 0.38 -0.49 0.79 0.00 0.53 0.00 0.00 43.42 44.63 1ug7 n LEU 15 CO 0.34 -0.49 1.47 -0.07 -1.11 0.00 0.00 177.39 177.53 1ug7 h LEU 16 N 0.00 0.00 0.01 -1.96 3.38 -1.18 0.77 115.31 116.33 1ug7 h LEU 16 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ug7 h LEU 16 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ug7 h LEU 16 CO 0.00 0.00 -0.01 1.56 0.09 0.00 0.00 178.44 180.08 1ug7 h GLN 17 N 0.00 -0.02 -1.15 1.13 4.20 -1.07 -2.22 115.11 115.98 1ug7 h GLN 17 Ca 0.90 0.00 0.33 0.00 0.06 0.00 0.00 58.65 59.93 1ug7 h GLN 17 Cb 3.71 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 31.43 1ug7 h GLN 17 CO -0.01 -0.01 0.80 0.07 -0.67 0.00 0.00 178.83 179.01 1ug7 h ARG 18 N -0.43 0.14 0.35 1.46 -0.00 0.28 0.26 114.38 116.43 1ug7 h ARG 18 Ca -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 59.95 1ug7 h ARG 18 Cb 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1ug7 h ARG 18 CO 0.00 0.09 -0.17 -1.49 -0.00 0.00 0.00 179.97 178.41 1ug7 h TRP 19 N 0.14 -0.43 -0.30 4.08 6.55 0.28 -2.92 115.95 123.35 1ug7 h TRP 19 Ca 0.60 -0.01 0.09 0.00 0.95 0.00 0.00 58.89 60.52 1ug7 h TRP 19 Cb 2.04 0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 30.47 1ug7 h TRP 19 CO -0.00 -0.27 0.59 0.78 -1.05 0.00 0.00 178.44 178.49 1ug7 h GLY 20 N -0.78 0.00 1.80 1.49 0.00 -0.42 1.44 103.07 106.61 1ug7 h GLY 20 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 1ug7 h GLY 20 CO 0.08 0.00 -0.57 0.00 0.00 0.00 0.00 176.54 176.05 1ug7 h ALA 21 N 1.10 0.92 0.25 3.60 0.00 -0.43 -1.91 119.26 122.79 1ug7 h ALA 21 Ca 0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1ug7 h ALA 21 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ug7 h ALA 21 CO -0.00 0.71 -0.12 0.77 0.00 0.00 0.00 179.25 180.60 1ug7 h SER 22 N 0.16 -0.28 -0.53 0.00 0.02 0.22 -1.74 113.55 111.40 1ug7 h SER 22 Ca -0.00 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1ug7 h SER 22 Cb 1.05 0.07 -0.11 0.00 0.14 0.00 0.00 62.40 63.56 1ug7 h SER 22 CO 0.09 -0.11 -0.36 0.25 -1.14 0.00 0.00 176.83 175.55 1ug7 h LEU 23 N -0.51 -1.24 -0.49 5.07 5.85 -1.60 1.09 115.31 123.47 1ug7 h LEU 23 Ca -0.03 0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.99 1ug7 h LEU 23 Cb 0.26 0.59 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1ug7 h LEU 23 CO 0.06 -0.32 -0.38 -0.09 -0.34 0.00 0.00 178.44 177.37 1ug7 h ARG 24 N -0.21 -0.23 0.05 1.25 9.65 -1.43 -0.44 114.38 123.01 1ug7 h ARG 24 Ca 0.20 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1ug7 h ARG 24 Cb 0.56 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1ug7 h ARG 24 CO -0.64 -0.16 -0.02 0.00 2.80 0.00 0.00 179.97 181.95 1ug7 h ARG 25 N -0.24 -0.06 -1.30 0.20 3.08 -0.06 -1.86 114.38 114.15 1ug7 h ARG 25 Ca 0.18 0.00 0.38 0.00 0.07 0.00 0.00 59.98 60.61 1ug7 h ARG 25 Cb 0.56 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 1ug7 h ARG 25 CO -0.62 0.02 1.01 0.78 -1.07 0.00 0.00 179.97 180.09 1ug7 h GLY 26 N -0.12 0.00 0.16 0.04 0.00 0.24 0.57 103.07 103.96 1ug7 h GLY 26 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1ug7 h GLY 26 CO 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.36 1ug7 h ALA 27 N 1.21 -0.02 -0.87 3.60 0.00 -0.35 -2.78 119.26 120.04 1ug7 h ALA 27 Ca 0.62 -0.55 0.20 0.00 0.00 0.00 0.00 54.91 55.18 1ug7 h ALA 27 Cb 2.62 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 20.32 1ug7 h ALA 27 CO -0.01 0.09 0.37 -0.44 0.00 0.00 0.00 179.25 179.26 1ug7 h ASP 28 N -0.85 0.30 0.07 0.00 3.32 0.71 0.31 116.42 120.28 1ug7 h ASP 28 Ca -0.03 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ug7 h ASP 28 Cb 1.15 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1ug7 h ASP 28 CO 0.04 0.01 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.27 1ug7 h PHE 29 N 0.40 -0.09 0.31 4.55 0.04 -1.18 -2.69 116.94 118.28 1ug7 h PHE 29 Ca 0.53 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.29 1ug7 h PHE 29 Cb 0.97 0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.12 1ug7 h PHE 29 CO -0.15 0.18 -0.44 0.22 -0.60 0.00 0.00 178.31 177.52 1ug7 h ASP 30 N -0.36 -1.27 -0.06 2.17 1.82 -0.73 1.55 116.42 119.54 1ug7 h ASP 30 Ca -0.01 0.11 0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1ug7 h ASP 30 Cb 0.31 0.44 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 1ug7 h ASP 30 CO 0.02 -0.54 -0.04 -1.20 -1.61 0.00 0.00 179.24 175.87 1ug7 n SER 31 N -5.06 -0.07 0.00 2.28 7.64 0.92 -1.83 113.62 117.50 1ug7 n SER 31 Ca -0.09 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1ug7 n SER 31 Cb 0.38 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 -3.07 0.00 0.00 1.43 8.01 -1.01 -4.86 117.44 117.94 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 0.02 -0.46 0.00 0.00 -2.01 0.00 0.00 31.31 28.86 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 -0.98 0.00 2.69 6.99 0.00 0.98 -5.09 105.19 109.78 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 2.97 0.20 1.61 1.13 0.49 -4.88 117.38 118.91 1ug7 n GLN 34 Ca 0.00 -4.61 -0.15 0.00 -1.94 0.00 0.00 57.00 50.30 1ug7 n GLN 34 Cb 0.00 -2.34 -0.08 0.00 0.11 0.00 0.00 30.24 27.93 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 4.81 -0.39 -0.15 1.08 3.38 -1.88 0.53 115.31 122.69 1ug7 h LEU 35 Ca 0.19 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1ug7 h LEU 35 Cb 0.68 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1ug7 h LEU 35 CO 0.95 -0.19 -0.22 0.58 0.09 0.00 0.00 178.44 179.65 1ug7 h VAL 36 N -0.57 0.00 -0.83 1.22 2.07 -1.97 1.32 116.25 117.48 1ug7 h VAL 36 Ca -0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1ug7 h VAL 36 Cb 0.42 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 1ug7 h VAL 36 CO 0.08 0.00 0.46 -0.33 0.02 0.00 0.00 177.57 177.80 1ug7 h GLU 37 N -0.17 0.71 0.37 1.57 3.07 -1.96 -1.70 114.58 116.47 1ug7 h GLU 37 Ca 0.03 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1ug7 h GLU 37 Cb 0.24 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1ug7 h GLU 37 CO -0.23 0.47 -0.39 0.00 -1.40 0.00 0.00 179.01 177.46 1ug7 h ALA 38 N 1.49 -0.83 -0.23 3.43 0.00 0.19 0.30 119.26 123.60 1ug7 h ALA 38 Ca 0.42 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1ug7 h ALA 38 Cb 0.46 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1ug7 h ALA 38 CO -0.29 -1.01 -0.32 0.82 0.00 0.00 0.00 179.25 178.46 1ug7 h ILE 39 N -0.78 0.00 -0.61 0.00 2.04 0.24 0.37 117.51 118.77 1ug7 h ILE 39 Ca -0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.95 1ug7 h ILE 39 Cb 0.71 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.67 1ug7 h ILE 39 CO -0.08 0.00 -0.27 -0.78 0.00 0.00 0.00 178.15 177.02 1ug7 h ASP 40 N -0.22 -0.95 -0.41 1.72 3.58 -1.17 0.99 116.42 119.96 1ug7 h ASP 40 Ca 0.04 0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.79 1ug7 h ASP 40 Cb 0.34 0.51 -0.09 0.00 1.72 0.00 0.00 39.33 41.80 1ug7 h ASP 40 CO -0.34 -0.28 -0.34 -0.08 -2.88 0.00 0.00 179.24 175.33 1ug7 h GLU 41 N -0.11 -0.25 -0.06 0.28 4.57 0.13 0.81 114.58 119.97 1ug7 h GLU 41 Ca 0.26 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1ug7 h GLU 41 Cb 0.53 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1ug7 h GLU 41 CO -0.67 -0.16 0.02 1.88 -1.18 0.00 0.00 179.01 178.90 1ug7 h TYR 42 N -0.25 0.09 0.29 0.92 0.05 0.19 -2.52 116.97 115.72 1ug7 h TYR 42 Ca 0.17 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 1ug7 h TYR 42 Cb 0.54 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 1ug7 h TYR 42 CO -0.55 0.20 -0.44 1.96 -1.05 0.00 0.00 178.16 178.28 1ug7 h GLN 43 N -0.05 -0.74 -0.86 4.88 4.20 0.19 0.46 115.11 123.19 1ug7 h GLN 43 Ca 0.02 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.86 1ug7 h GLN 43 Cb 0.15 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 27.99 1ug7 h GLN 43 CO -0.00 -0.49 -0.54 0.82 -0.67 0.00 0.00 178.83 177.95 1ug7 h ILE 44 N -0.77 0.00 -0.97 2.54 5.03 0.61 1.50 117.51 125.45 1ug7 h ILE 44 Ca -0.03 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.85 1ug7 h ILE 44 Cb 0.70 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.40 1ug7 h ILE 44 CO -0.14 0.00 0.59 0.25 -0.68 0.00 0.00 178.15 178.17 1ug7 h LEU 45 N -0.04 0.82 0.09 1.44 5.85 -1.14 0.15 115.31 122.47 1ug7 h LEU 45 Ca 0.14 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1ug7 h LEU 45 Cb 0.40 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1ug7 h LEU 45 CO -0.83 0.40 -0.04 0.00 -0.34 0.00 0.00 178.44 177.63 1ug7 h ALA 46 N 1.56 -0.12 -0.78 1.25 0.00 0.63 0.21 119.26 122.01 1ug7 h ALA 46 Ca 0.50 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.45 1ug7 h ALA 46 Cb 0.60 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1ug7 h ALA 46 CO -0.30 -0.55 0.45 0.00 0.00 0.00 0.00 179.25 178.84 1ug7 h ARG 47 N -0.15 0.76 -0.17 0.00 3.08 0.31 -1.17 114.38 117.03 1ug7 h ARG 47 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1ug7 h ARG 47 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1ug7 h ARG 47 CO 0.02 0.50 0.07 0.45 -1.07 0.00 0.00 179.97 179.94 1ug7 h HIS 48 N 0.78 0.25 -0.67 3.04 3.86 -0.35 -1.99 115.15 120.06 1ug7 h HIS 48 Ca 0.36 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.70 1ug7 h HIS 48 Cb 0.28 -0.08 -0.10 0.00 1.06 0.00 0.00 27.41 28.58 1ug7 h HIS 48 CO -0.06 0.30 0.13 -0.07 0.86 0.00 0.00 177.93 179.08 1ug7 h LEU 49 N 0.13 -0.05 0.14 2.43 3.38 0.31 -0.69 115.31 120.95 1ug7 h LEU 49 Ca 0.06 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ug7 h LEU 49 Cb 0.15 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ug7 h LEU 49 CO -0.01 -0.04 -0.18 1.56 0.09 0.00 0.00 178.44 179.86 1ug7 h GLN 50 N 0.24 -0.36 -1.31 1.13 4.20 -0.88 0.52 115.11 118.64 1ug7 h GLN 50 Ca 0.37 0.02 0.38 0.00 0.06 0.00 0.00 58.65 59.48 1ug7 h GLN 50 Cb 0.60 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.41 1ug7 h GLN 50 CO -0.48 -0.24 1.13 -0.22 -0.67 0.00 0.00 178.83 178.34 1ug7 h LYS 51 N -0.37 0.00 0.03 1.46 1.63 -0.38 1.94 116.57 120.88 1ug7 h LYS 51 Ca 0.02 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.46 1ug7 h LYS 51 Cb 0.38 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 1ug7 h LYS 51 CO -0.08 0.00 -2.13 0.39 -3.45 0.00 0.00 179.45 174.18 1ug7 n GLU 52 N -3.71 0.68 0.00 1.90 -0.58 -0.11 -3.33 120.64 115.49 1ug7 n GLU 52 Ca 0.29 0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 57.08 1ug7 n GLU 52 Cb 1.54 -1.64 -0.10 0.00 -0.57 0.00 0.00 31.44 30.67 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 0.55 -0.04 -1.01 0.62 0.00 0.72 -3.21 119.26 116.89 1ug7 h ALA 53 Ca -0.45 -0.23 -0.72 0.00 0.00 0.00 0.00 54.91 53.50 1ug7 h ALA 53 Cb 2.05 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 19.57 1ug7 h ALA 53 CO 0.03 -0.29 0.89 0.00 0.00 0.00 0.00 179.25 179.89 1ug7 n GLN 54 N -4.89 2.76 -0.13 0.00 10.64 0.53 -4.40 117.38 121.90 1ug7 n GLN 54 Ca -0.08 -3.47 -0.25 0.00 -1.83 0.00 0.00 57.00 51.37 1ug7 n GLN 54 Cb 0.25 -2.28 -0.10 0.00 -0.86 0.00 0.00 30.24 27.25 1ug7 n GLN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ug7 n ALA 55 N -0.70 1.34 -0.50 2.61 0.00 -1.21 -4.84 120.51 117.20 1ug7 n ALA 55 Ca 0.57 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1ug7 n ALA 55 Cb 0.44 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ug7 n ALA 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ug7 n GLN 56 N -3.91 0.00 -2.89 0.00 6.02 -1.26 -3.24 117.38 112.11 1ug7 n GLN 56 Ca -0.50 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.36 1ug7 n GLN 56 Cb 0.90 0.00 0.02 0.00 1.02 0.00 0.00 30.24 32.18 1ug7 n GLN 56 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1ug7 n HIS 57 N 0.00 -2.33 0.07 1.08 -0.00 -1.26 -4.96 115.22 107.82 1ug7 n HIS 57 Ca 0.00 -2.38 0.00 0.00 0.46 0.00 0.00 57.72 55.80 1ug7 n HIS 57 Cb 0.00 0.97 0.00 0.00 -0.12 0.00 0.00 29.99 30.84 1ug7 n HIS 57 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1ug7 n ASN 58 N 1.34 0.02 -3.34 0.26 3.02 -1.20 -5.04 115.26 110.32 1ug7 n ASN 58 Ca 0.13 0.22 -0.14 0.00 -0.03 0.00 0.00 54.58 54.76 1ug7 n ASN 58 Cb 0.62 0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 39.86 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ug7 s ASN 59 N -5.08 0.79 0.00 6.41 -0.87 -1.26 -5.12 114.94 109.80 1ug7 s ASN 59 Ca 0.00 -1.28 0.00 0.00 -1.57 0.00 0.00 52.86 50.01 1ug7 s ASN 59 Cb 0.00 0.79 0.00 0.00 -0.02 0.00 0.00 41.25 42.02 1ug7 s ASN 59 CO 0.00 -0.27 0.00 -1.54 -2.57 0.00 0.00 177.10 172.72 1ug7 n SER 60 N 4.48 0.00 -2.53 -1.22 3.41 -1.26 -4.73 113.62 111.77 1ug7 n SER 60 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 1ug7 n SER 60 Cb 0.47 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.27 2.37 -4.45 4.33 4.71 -1.26 -5.02 120.64 121.06 1ug7 n GLU 61 Ca 0.00 -3.85 -0.22 0.00 -0.01 0.00 0.00 57.16 53.07 1ug7 n GLU 61 Cb 0.00 -1.79 -0.10 0.00 -1.01 0.00 0.00 31.44 28.54 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 -3.44 1.82 0.28 -0.32 0.40 -1.26 -3.31 117.98 112.15 1ug7 s PHE 62 Ca 0.38 -1.13 0.05 0.00 -0.60 0.00 0.00 56.93 55.63 1ug7 s PHE 62 Cb 0.41 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 1ug7 s PHE 62 CO -0.05 -0.17 0.41 -0.08 0.70 0.00 0.00 175.22 176.03 1ug7 s THR 63 N -3.34 4.99 0.20 0.64 -1.32 -1.26 -4.87 115.64 110.68 1ug7 s THR 63 Ca 0.32 -0.90 -0.21 0.00 -1.21 0.00 0.00 61.69 59.68 1ug7 s THR 63 Cb 0.06 -3.77 0.14 0.00 -1.51 0.00 0.00 72.50 67.42 1ug7 s THR 63 CO 0.15 -0.33 1.57 -0.33 -2.21 0.00 0.00 174.62 173.47 1ug7 h GLU 64 N 1.04 -0.10 -0.71 7.08 5.08 -1.97 0.31 114.58 125.31 1ug7 h GLU 64 Ca -0.50 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.00 1ug7 h GLU 64 Cb 1.23 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 1ug7 h GLU 64 CO 0.59 -0.07 -0.23 0.93 -1.00 0.00 0.00 179.01 179.24 1ug7 h GLU 65 N -0.11 -0.04 0.20 2.33 5.08 -1.98 1.45 114.58 121.51 1ug7 h GLU 65 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1ug7 h GLU 65 Cb 0.56 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ug7 h GLU 65 CO -0.81 -0.03 -0.10 1.96 -1.00 0.00 0.00 179.01 179.04 1ug7 h GLN 66 N -0.04 -0.26 -1.25 2.33 4.20 -0.82 -0.86 115.11 118.41 1ug7 h GLN 66 Ca 0.32 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.42 1ug7 h GLN 66 Cb 0.54 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.30 1ug7 h GLN 66 CO -0.75 -0.17 0.86 0.87 -0.67 0.00 0.00 178.83 178.97 1ug7 h LYS 67 N -0.27 0.12 0.65 1.46 1.57 -0.47 0.75 116.57 120.39 1ug7 h LYS 67 Ca -0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1ug7 h LYS 67 Cb 0.20 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1ug7 h LYS 67 CO 0.04 0.08 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.47 1ug7 h LYS 68 N 0.13 -0.85 -0.27 3.15 1.63 0.24 -2.48 116.57 118.12 1ug7 h LYS 68 Ca 0.66 0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 60.48 1ug7 h LYS 68 Cb 2.27 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 34.08 1ug7 h LYS 68 CO -0.16 -0.55 0.03 1.15 -3.45 0.00 0.00 179.45 176.47 1ug7 h THR 69 N -0.92 1.24 -1.01 1.00 2.02 0.11 -2.72 112.91 112.63 1ug7 h THR 69 Ca -0.09 -0.83 0.40 0.00 0.77 0.00 0.00 66.41 66.65 1ug7 h THR 69 Cb 0.69 1.26 -0.17 0.00 -1.74 0.00 0.00 68.15 68.19 1ug7 h THR 69 CO 0.15 0.27 0.55 0.40 0.37 0.00 0.00 175.52 177.26 1ug7 h ILE 70 N 0.26 0.08 0.69 3.11 2.04 0.33 0.24 117.51 124.26 1ug7 h ILE 70 Ca 0.08 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1ug7 h ILE 70 Cb 0.37 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1ug7 h ILE 70 CO 0.01 0.02 -0.33 1.23 0.00 0.00 0.00 178.15 179.07 1ug7 h GLY 71 N 0.08 -0.97 -0.91 5.37 0.00 -1.12 -2.99 103.07 102.53 1ug7 h GLY 71 Ca 0.82 0.36 0.33 0.00 0.00 0.00 0.00 47.33 48.84 1ug7 h GLY 71 CO -0.72 -0.35 0.27 0.50 0.00 0.00 0.00 176.54 176.23 1ug7 h LYS 72 N -1.23 0.04 -0.01 4.80 1.57 -0.51 0.82 116.57 122.05 1ug7 h LYS 72 Ca -0.10 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1ug7 h LYS 72 Cb 0.72 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 1ug7 h LYS 72 CO 0.16 0.02 -0.35 0.82 -0.57 0.00 0.00 179.45 179.53 1ug7 h ILE 73 N 0.04 0.25 -0.03 1.86 2.04 -1.07 -1.63 117.51 118.96 1ug7 h ILE 73 Ca 0.70 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.59 1ug7 h ILE 73 Cb 1.63 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1ug7 h ILE 73 CO -0.83 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.01 1ug7 h ALA 74 N 0.17 -0.43 -0.93 1.87 0.00 0.74 -1.62 119.26 119.06 1ug7 h ALA 74 Ca 0.06 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.13 1ug7 h ALA 74 Cb 0.59 0.56 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1ug7 h ALA 74 CO -0.29 -0.82 -0.31 2.41 0.00 0.00 0.00 179.25 180.25 1ug7 n THR 75 N -5.41 -0.45 0.12 0.00 -1.04 -0.32 0.85 114.28 108.02 1ug7 n THR 75 Ca -0.04 2.17 -0.13 0.00 -2.04 0.00 0.00 64.05 64.00 1ug7 n THR 75 Cb 0.32 -2.92 -0.06 0.00 -1.82 0.00 0.00 70.33 65.85 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 -5.43 -0.74 -0.33 0.00 4.77 0.25 0.17 117.00 115.69 1ug7 n LEU 77 Ca -0.07 1.46 0.21 0.00 -0.03 0.00 0.00 56.01 57.58 1ug7 n LEU 77 Cb 0.34 -0.27 0.40 0.00 -2.33 0.00 0.00 43.42 41.57 1ug7 n LEU 77 CO 0.22 -1.12 0.88 -0.62 -1.33 0.00 0.00 177.39 175.43 1ug7 n GLU 78 N -4.62 -0.07 0.10 3.23 1.02 -0.60 0.10 120.64 119.80 1ug7 n GLU 78 Ca 0.01 1.43 -0.13 0.00 -0.02 0.00 0.00 57.16 58.45 1ug7 n GLU 78 Cb 0.18 -2.38 -0.08 0.00 -0.02 0.00 0.00 31.44 29.14 1ug7 n GLU 78 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ug7 h LEU 79 N 0.00 -0.20 0.10 -4.62 4.07 0.20 -1.17 115.31 113.70 1ug7 h LEU 79 Ca 0.69 -0.21 0.02 0.00 0.08 0.00 0.00 57.88 58.47 1ug7 h LEU 79 Cb 1.61 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 43.36 1ug7 h LEU 79 CO -0.86 0.10 -0.37 -0.09 -1.08 0.00 0.00 178.44 176.14 1ug7 h ARG 80 N -0.51 -0.57 -0.04 1.13 9.65 0.33 0.97 114.38 125.33 1ug7 h ARG 80 Ca -0.02 0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 1ug7 h ARG 80 Cb 0.39 0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.05 1ug7 h ARG 80 CO 0.04 -0.38 -0.43 0.77 2.80 0.00 0.00 179.97 182.77 1ug7 h SER 81 N -0.59 -1.33 -0.40 -3.80 0.02 0.12 -1.52 113.55 106.05 1ug7 h SER 81 Ca 0.03 0.15 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 1ug7 h SER 81 Cb 0.63 0.51 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 1ug7 h SER 81 CO -0.23 -0.40 -0.11 0.00 -1.14 0.00 0.00 176.83 174.95 1ug7 h ALA 82 N -0.61 0.25 -1.15 3.77 0.00 -0.97 0.21 119.26 120.75 1ug7 h ALA 82 Ca 0.02 0.16 0.44 0.00 0.00 0.00 0.00 54.91 55.52 1ug7 h ALA 82 Cb 0.56 0.33 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 1ug7 h ALA 82 CO -0.31 -0.46 0.68 0.00 0.00 0.00 0.00 179.25 179.16 1ug7 n ALA 83 N -2.73 1.17 0.05 0.00 0.00 0.33 0.13 120.51 119.47 1ug7 n ALA 83 Ca 0.02 0.96 -0.12 0.00 0.00 0.00 0.00 53.44 54.30 1ug7 n ALA 83 Cb 0.23 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 1ug7 n ALA 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ug7 h LEU 84 N 0.00 -0.16 -1.05 0.00 3.38 0.19 -3.18 115.31 114.50 1ug7 h LEU 84 Ca 0.86 -0.37 0.14 0.00 0.09 0.00 0.00 57.88 58.60 1ug7 h LEU 84 Cb 2.49 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 43.19 1ug7 h LEU 84 CO -0.65 0.35 0.62 1.56 0.09 0.00 0.00 178.44 180.41 1ug7 h GLN 85 N -0.73 0.88 -7.33 1.13 4.20 0.17 -3.41 115.11 110.02 1ug7 h GLN 85 Ca -0.02 -0.05 -0.50 0.00 0.06 0.00 0.00 58.65 58.14 1ug7 h GLN 85 Cb 0.52 -0.20 0.13 0.00 0.30 0.00 0.00 27.48 28.24 1ug7 h GLN 85 CO 0.03 0.58 0.30 -1.12 -0.67 0.00 0.00 178.83 177.95 1ug7 s SER 86 N -5.64 4.16 -0.61 1.46 0.01 0.26 -4.84 113.70 108.50 1ug7 s SER 86 Ca -0.11 1.65 -0.26 0.00 1.31 0.00 0.00 55.95 58.54 1ug7 s SER 86 Cb 0.23 -2.35 -0.10 0.00 0.21 0.00 0.00 66.02 64.00 1ug7 s SER 86 CO 0.80 -2.23 2.42 0.41 0.41 0.00 0.00 173.24 175.06 1ug7 n THR 87 N -3.63 -0.06 0.00 1.44 -1.04 -1.26 -4.46 114.28 105.26 1ug7 n THR 87 Ca 0.08 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1ug7 n THR 87 Cb 0.54 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.60 1ug7 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 n GLN 88 N 8.89 0.00 -3.15 -2.82 3.00 -1.26 -3.98 117.38 118.06 1ug7 n GLN 88 Ca 0.41 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.45 1ug7 n GLN 88 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.73 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ug7 s SER 89 N -4.00 -1.15 -0.01 1.08 0.15 -1.26 -4.37 113.70 104.14 1ug7 s SER 89 Ca 0.00 0.32 -0.11 0.00 0.70 0.00 0.00 55.95 56.87 1ug7 s SER 89 Cb 0.00 1.80 -0.06 0.00 -1.71 0.00 0.00 66.02 66.05 1ug7 s SER 89 CO 0.00 -0.21 0.68 -0.61 1.20 0.00 0.00 173.24 174.30 1ug7 h GLN 90 N 7.83 -0.37 0.00 5.44 5.75 -1.87 -3.45 115.11 128.44 1ug7 h GLN 90 Ca -0.09 0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.36 1ug7 h GLN 90 Cb 1.18 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.74 1ug7 h GLN 90 CO 0.08 -0.25 -0.15 0.39 -2.65 0.00 0.00 178.83 176.26 1ug7 n GLU 91 N -3.77 0.26 0.00 1.69 1.02 -1.26 -5.14 120.64 113.44 1ug7 n GLU 91 Ca -0.05 -0.56 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 1ug7 n GLU 91 Cb 0.15 0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ug7 n GLU 92 N -0.30 3.54 -2.74 3.49 4.71 -1.26 -5.07 120.64 123.02 1ug7 n GLU 92 Ca -0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.70 1ug7 n GLU 92 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.94 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1ug7 s PHE 93 N 2.37 3.40 0.00 -0.32 5.36 -1.26 -5.03 117.98 122.50 1ug7 s PHE 93 Ca 0.00 1.37 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 1ug7 s PHE 93 Cb 0.00 -2.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 1ug7 s PHE 93 CO 0.00 -0.16 0.00 0.36 -1.46 0.00 0.00 175.22 173.96 1ug7 n LYS 94 N -1.05 1.74 -0.07 10.12 2.85 -1.26 -4.61 118.16 125.88 1ug7 n LYS 94 Ca 0.05 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.19 1ug7 n LYS 94 Cb 0.54 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.81 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 0.00 -0.26 -5.58 3.38 -1.98 -2.85 115.31 108.02 1ug7 h LEU 95 Ca 0.00 -0.77 0.06 0.00 0.09 0.00 0.00 57.88 57.26 1ug7 h LEU 95 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1ug7 h LEU 95 CO 0.00 0.94 -0.23 1.05 0.09 0.00 0.00 178.44 180.29 1ug7 h GLU 96 N -1.00 -0.22 0.00 1.13 4.11 -1.97 1.49 114.58 118.12 1ug7 h GLU 96 Ca -0.02 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1ug7 h GLU 96 Cb 0.84 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1ug7 h GLU 96 CO -0.02 -0.14 -0.03 -0.44 0.07 0.00 0.00 179.01 178.45 1ug7 h ASP 97 N -0.23 0.00 0.00 3.06 5.19 -1.98 -0.31 116.42 122.15 1ug7 h ASP 97 Ca 0.14 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1ug7 h ASP 97 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1ug7 h ASP 97 CO -0.39 0.03 -0.00 0.25 -3.12 0.00 0.00 179.24 176.00 1ug7 h LEU 98 N 0.00 0.00 -1.86 1.55 5.85 0.21 -3.20 115.31 117.86 1ug7 h LEU 98 Ca -0.00 -1.00 0.00 0.00 0.84 0.00 0.00 57.88 57.72 1ug7 h LEU 98 Cb 0.08 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1ug7 h LEU 98 CO 0.00 1.00 0.00 0.11 -0.34 0.00 0.00 178.44 179.21 1ug7 h LYS 99 N -0.99 0.00 0.00 1.25 6.56 0.25 0.35 116.57 123.98 1ug7 h LYS 99 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ug7 h LYS 99 Cb 1.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.66 1ug7 h LYS 99 CO 0.00 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.02 1ug7 n LYS 100 N -2.51 0.19 0.00 3.15 4.76 -0.19 -1.31 118.16 122.25 1ug7 n LYS 100 Ca -0.02 0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.67 1ug7 n LYS 100 Cb 0.06 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 31.84 1ug7 n LYS 100 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ug7 n LEU 101 N -1.35 1.80 0.03 -0.35 4.77 0.12 -3.84 117.00 118.18 1ug7 n LEU 101 Ca 0.08 -0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 55.29 1ug7 n LEU 101 Cb 0.17 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1ug7 n LEU 101 CO 0.15 0.33 0.62 -0.08 -1.33 0.00 0.00 177.39 177.09 1ug7 h GLU 102 N 2.17 -0.09 -0.01 3.23 4.81 -1.31 -2.25 114.58 121.14 1ug7 h GLU 102 Ca 0.00 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1ug7 h GLU 102 Cb 0.70 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1ug7 h GLU 102 CO 0.00 0.32 -0.78 -1.00 -0.73 0.00 0.00 179.01 176.82 1ug7 h PRO 103 N -0.53 0.11 -0.52 0.92 0.13 -1.74 -2.75 132.00 127.62 1ug7 h PRO 103 Ca -0.01 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1ug7 h PRO 103 Cb 0.45 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 1ug7 h PRO 103 CO 0.02 0.84 0.32 0.82 -0.23 0.00 0.00 178.00 179.77 1ug7 h ILE 104 N 0.07 1.08 -0.17 -3.56 2.04 -1.66 1.42 117.51 116.73 1ug7 h ILE 104 Ca -0.02 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1ug7 h ILE 104 Cb 1.37 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1ug7 h ILE 104 CO 0.11 0.12 -0.32 -0.07 0.00 0.00 0.00 178.15 177.99 1ug7 h LEU 105 N 0.65 0.34 0.13 1.44 3.38 -1.39 0.83 115.31 120.70 1ug7 h LEU 105 Ca 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ug7 h LEU 105 Cb -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ug7 h LEU 105 CO -0.07 0.65 -0.06 0.11 0.09 0.00 0.00 178.44 179.16 1ug7 h LYS 106 N 0.29 -0.16 -0.90 1.13 1.57 -0.92 -3.12 116.57 114.47 1ug7 h LYS 106 Ca 0.04 0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.63 1ug7 h LYS 106 Cb 0.71 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.94 1ug7 h LYS 106 CO 0.05 0.30 0.25 0.09 -0.57 0.00 0.00 179.45 179.58 1ug7 n ASN 107 N -4.91 3.66 -0.30 0.86 3.02 0.47 -4.48 115.26 113.58 1ug7 n ASN 107 Ca -0.08 -2.84 0.13 0.00 -0.03 0.00 0.00 54.58 51.75 1ug7 n ASN 107 Cb 0.27 -0.68 0.28 0.00 -0.61 0.00 0.00 39.78 39.05 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 1.35 0.28 0.34 2.41 1.08 0.77 1.51 117.51 125.24 1ug7 h ILE 108 Ca 0.24 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.64 1ug7 h ILE 108 Cb 1.88 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1ug7 h ILE 108 CO 0.54 0.03 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.80 1ug7 h LEU 109 N 0.17 -0.38 -4.20 1.44 3.38 -1.83 -3.20 115.31 110.69 1ug7 h LEU 109 Ca 0.55 -0.17 -0.48 0.00 0.09 0.00 0.00 57.88 57.87 1ug7 h LEU 109 Cb 1.10 0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.77 1ug7 h LEU 109 CO -0.69 0.04 0.49 1.07 0.09 0.00 0.00 178.44 179.44 1ug7 n THR 110 N -5.12 3.20 -4.70 0.22 5.66 0.05 -4.89 114.28 108.71 1ug7 n THR 110 Ca -0.09 -2.67 -0.33 0.00 -3.05 0.00 0.00 64.05 57.91 1ug7 n THR 110 Cb 0.27 -1.46 -0.14 0.00 -1.55 0.00 0.00 70.33 67.45 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 -2.09 2.84 0.10 1.09 6.14 0.50 -4.86 117.35 121.07 1ug7 s TYR 111 Ca 0.50 -0.63 -0.31 0.00 0.64 0.00 0.00 57.07 57.27 1ug7 s TYR 111 Cb 0.36 -1.87 -0.07 0.00 0.42 0.00 0.00 41.96 40.79 1ug7 s TYR 111 CO -0.15 -0.21 1.35 -0.80 0.64 0.00 0.00 175.55 176.38 1ug7 s ASN 112 N 0.40 6.87 1.20 4.32 -0.87 -1.26 -4.99 114.94 120.61 1ug7 s ASN 112 Ca -0.09 2.26 -0.11 0.00 -1.57 0.00 0.00 52.86 53.34 1ug7 s ASN 112 Cb -0.16 -2.58 0.17 0.00 -0.02 0.00 0.00 41.25 38.66 1ug7 s ASN 112 CO 0.05 -0.62 0.46 0.29 -2.57 0.00 0.00 177.10 174.71 1ug7 n LYS 113 N 3.98 -2.92 -2.22 -0.60 4.76 -1.26 -4.68 118.16 115.23 1ug7 n LYS 113 Ca 0.11 -0.76 -0.00 0.00 -2.87 0.00 0.00 58.31 54.79 1ug7 n LYS 113 Cb 0.43 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 1ug7 n LYS 113 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ug7 n GLU 114 N -3.60 -0.61 -1.12 1.97 -0.58 -1.26 -4.92 120.64 110.53 1ug7 n GLU 114 Ca 0.07 0.96 -0.36 0.00 -0.42 0.00 0.00 57.16 57.41 1ug7 n GLU 114 Cb 0.29 -3.46 -0.00 0.00 -0.57 0.00 0.00 31.44 27.70 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ug7 n PHE 115 N -1.34 -1.90 0.06 -0.32 7.35 -1.26 -4.86 117.46 115.19 1ug7 n PHE 115 Ca 0.00 0.52 -0.11 0.00 -0.76 0.00 0.00 57.45 57.10 1ug7 n PHE 115 Cb 0.50 -1.52 -0.01 0.00 0.35 0.00 0.00 39.48 38.79 1ug7 n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1ug7 h PRO 116 N 0.25 0.37 -6.03 -7.13 0.13 -1.94 -3.45 132.00 114.20 1ug7 h PRO 116 Ca -0.32 -0.36 -0.59 0.00 -0.87 0.00 0.00 66.00 63.86 1ug7 h PRO 116 Cb 1.25 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 1ug7 h PRO 116 CO 0.40 1.03 -0.43 -0.06 -0.23 0.00 0.00 178.00 178.71 1ug7 s PHE 117 N -3.40 3.50 -0.79 1.56 0.08 -1.26 -5.00 117.98 112.67 1ug7 s PHE 117 Ca -0.05 0.31 -0.25 0.00 0.12 0.00 0.00 56.93 57.05 1ug7 s PHE 117 Cb 0.10 -1.81 -0.06 0.00 -0.57 0.00 0.00 43.02 40.68 1ug7 s PHE 117 CO 0.85 0.51 2.04 -0.51 -0.10 0.00 0.00 175.22 178.01 1ug7 s ASP 118 N -2.70 4.91 -0.12 1.36 1.11 -1.26 -4.86 116.67 115.10 1ug7 s ASP 118 Ca 0.37 -0.22 -0.06 0.00 0.18 0.00 0.00 52.55 52.82 1ug7 s ASP 118 Cb -0.12 -2.55 0.05 0.00 1.07 0.00 0.00 42.92 41.37 1ug7 s ASP 118 CO 0.27 -2.87 0.28 0.68 1.18 0.00 0.00 175.17 174.72 1ug7 s VAL 119 N 10.82 -0.13 0.42 -1.27 -7.23 -1.26 -5.05 120.40 116.70 1ug7 s VAL 119 Ca 0.75 0.16 -0.03 0.00 -1.81 0.00 0.00 61.98 61.06 1ug7 s VAL 119 Cb -0.10 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 1ug7 s VAL 119 CO 0.07 0.07 0.68 -1.10 -0.31 0.00 0.00 175.10 174.51 1ug7 s GLN 120 N 1.54 3.51 0.25 4.82 -1.52 -1.26 -4.90 119.66 122.11 1ug7 s GLN 120 Ca -0.07 -0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.00 1ug7 s GLN 120 Cb -0.10 -2.50 -0.09 0.00 -0.22 0.00 0.00 33.01 30.10 1ug7 s GLN 120 CO -0.09 -0.06 1.09 -1.25 -0.25 0.00 0.00 175.29 174.73 1ug7 s PRO 121 N -4.56 4.65 0.03 2.91 0.04 -1.26 -4.24 135.00 132.57 1ug7 s PRO 121 Ca 0.44 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 1ug7 s PRO 121 Cb -0.10 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1ug7 s PRO 121 CO 0.41 0.21 0.87 0.42 0.04 0.00 0.00 177.00 178.95 1ug7 s ILE 122 N -0.96 4.77 -0.04 0.56 1.01 -1.26 -4.91 121.20 120.37 1ug7 s ILE 122 Ca 0.45 1.85 -0.29 0.00 0.00 0.00 0.00 60.65 62.66 1ug7 s ILE 122 Cb -0.31 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.00 1ug7 s ILE 122 CO 0.39 0.27 0.63 -0.94 0.00 0.00 0.00 174.94 175.29 1ug7 s SER 123 N 0.43 -0.59 0.42 3.58 1.04 -1.26 -4.43 113.70 112.89 1ug7 s SER 123 Ca 0.45 0.61 0.04 0.00 0.48 0.00 0.00 55.95 57.53 1ug7 s SER 123 Cb -0.21 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.46 1ug7 s SER 123 CO 0.25 -0.60 0.30 0.61 0.98 0.00 0.00 173.24 174.79 1ug7 n GLY 124 N 0.93 2.86 3.59 7.32 0.00 -1.26 -5.06 105.19 113.57 1ug7 n GLY 124 Ca -0.19 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.13 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 -3.72 3.46 -0.26 1.61 0.04 -1.26 -4.95 135.00 129.93 1ug7 s PRO 125 Ca 0.23 0.80 -0.10 0.00 0.04 0.00 0.00 61.00 61.97 1ug7 s PRO 125 Cb -0.02 -4.07 0.11 0.00 0.04 0.00 0.00 34.50 30.56 1ug7 s PRO 125 CO 0.14 -1.72 0.56 -1.12 0.04 0.00 0.00 177.00 174.91 1ug7 s SER 126 N 4.26 -0.79 -0.23 6.66 0.01 -1.26 -5.14 113.70 117.22 1ug7 s SER 126 Ca 0.59 1.33 -0.05 0.00 1.31 0.00 0.00 55.95 59.13 1ug7 s SER 126 Cb -0.13 1.80 -0.02 0.00 0.21 0.00 0.00 66.02 67.88 1ug7 s SER 126 CO 0.30 -0.22 0.01 -0.94 0.41 0.00 0.00 173.24 172.80 1ug7 s SER 127 N 2.58 4.74 0.00 2.44 1.04 -1.26 -5.25 113.70 118.00 1ug7 s SER 127 Ca -0.05 -0.28 0.11 0.00 0.48 0.00 0.00 55.95 56.21 1ug7 s SER 127 Cb -0.11 -1.83 0.09 0.00 0.10 0.00 0.00 66.02 64.27 1ug7 s SER 127 CO -0.17 -0.01 0.86 0.61 0.98 0.00 0.00 173.24 175.51