#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 3.90 0.37 1.61 0.15 -1.26 -4.87 113.70 113.61 1ug7 s SER 2 Ca 0.00 -2.40 0.00 0.00 0.70 0.00 0.00 55.95 54.25 1ug7 s SER 2 Cb 0.00 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1ug7 s SER 2 CO 0.00 -0.31 0.00 -1.20 1.20 0.00 0.00 173.24 172.93 1ug7 n SER 3 N 3.86 -2.01 0.00 5.45 7.64 -1.26 -5.17 113.62 122.12 1ug7 n SER 3 Ca 0.05 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1ug7 n SER 3 Cb 0.37 2.00 0.00 0.00 -1.01 0.00 0.00 64.21 65.56 1ug7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug7 n GLY 4 N 0.18 1.96 1.93 0.23 0.00 -1.26 -5.10 105.19 103.13 1ug7 n GLY 4 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ug7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ug7 n SER 5 N 0.00 -0.07 -3.90 1.61 2.88 -1.26 -4.85 113.62 108.03 1ug7 n SER 5 Ca 0.00 0.40 -0.29 0.00 -1.33 0.00 0.00 58.87 57.65 1ug7 n SER 5 Cb 0.00 0.31 -0.16 0.00 -0.75 0.00 0.00 64.21 63.61 1ug7 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ug7 s SER 6 N -5.06 3.33 0.00 -3.46 0.01 -1.26 -4.62 113.70 102.64 1ug7 s SER 6 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1ug7 s SER 6 Cb 0.00 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1ug7 s SER 6 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1ug7 n GLY 7 N 4.80 0.91 0.00 3.44 0.00 -1.26 -5.15 105.19 107.92 1ug7 n GLY 7 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1ug7 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ug7 n MET 8 N -0.34 1.48 -2.67 1.61 0.00 -1.26 -4.96 117.12 110.98 1ug7 n MET 8 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.66 1ug7 n MET 8 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.26 1ug7 n MET 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1ug7 n SER 9 N -2.04 -1.29 0.00 7.83 7.64 -1.26 -4.94 113.62 119.56 1ug7 n SER 9 Ca 0.00 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1ug7 n SER 9 Cb 0.00 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 1ug7 n SER 9 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ug7 n GLU 10 N -0.19 0.00 0.05 1.43 2.13 -1.26 -3.68 120.64 119.12 1ug7 n GLU 10 Ca -0.17 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.52 1ug7 n GLU 10 Cb 0.70 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.33 1ug7 n GLU 10 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1ug7 h VAL 11 N 0.00 1.05 -0.46 6.31 3.04 -1.97 -1.75 116.25 122.47 1ug7 h VAL 11 Ca 0.00 -0.32 0.05 0.00 -1.01 0.00 0.00 66.70 65.42 1ug7 h VAL 11 Cb 0.00 1.26 -0.07 0.00 -2.01 0.00 0.00 31.29 30.47 1ug7 h VAL 11 CO 0.00 0.08 -0.40 0.74 -1.01 0.00 0.00 177.57 176.98 1ug7 h THR 12 N -0.21 0.00 -0.59 3.17 2.02 -1.92 1.06 112.91 116.44 1ug7 h THR 12 Ca -0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 1ug7 h THR 12 Cb 0.18 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1ug7 h THR 12 CO 0.01 0.00 0.41 -0.09 0.37 0.00 0.00 175.52 176.22 1ug7 h ARG 13 N -0.16 0.14 0.00 6.66 2.43 -1.86 0.62 114.38 122.21 1ug7 h ARG 13 Ca 0.08 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1ug7 h ARG 13 Cb 0.36 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1ug7 h ARG 13 CO -0.52 0.09 -0.37 1.03 -1.51 0.00 0.00 179.97 178.69 1ug7 h SER 14 N 0.14 0.00 0.05 -3.80 0.87 0.15 -3.01 113.55 107.95 1ug7 h SER 14 Ca 0.28 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1ug7 h SER 14 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1ug7 h SER 14 CO -0.04 0.37 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.54 1ug7 h LEU 15 N 0.00 -0.05 -1.81 2.23 3.38 0.66 0.24 115.31 119.95 1ug7 h LEU 15 Ca -0.00 0.00 0.51 0.00 0.09 0.00 0.00 57.88 58.48 1ug7 h LEU 15 Cb 0.97 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 1ug7 h LEU 15 CO 0.05 0.00 1.36 -0.07 0.09 0.00 0.00 178.44 179.87 1ug7 h LEU 16 N -0.14 0.00 0.00 1.67 3.38 -1.47 1.09 115.31 119.84 1ug7 h LEU 16 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ug7 h LEU 16 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ug7 h LEU 16 CO 0.01 0.00 -0.02 -0.61 0.09 0.00 0.00 178.44 177.91 1ug7 h GLN 17 N 0.00 0.00 -0.99 1.13 4.15 -1.51 -2.36 115.11 115.53 1ug7 h GLN 17 Ca 0.83 0.00 0.26 0.00 0.77 0.00 0.00 58.65 60.51 1ug7 h GLN 17 Cb 3.54 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 31.17 1ug7 h GLN 17 CO -0.01 0.00 0.68 0.07 -1.93 0.00 0.00 178.83 177.64 1ug7 h ARG 18 N -0.49 0.22 0.21 1.69 -0.00 0.22 0.17 114.38 116.40 1ug7 h ARG 18 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 1ug7 h ARG 18 Cb 0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 29.94 1ug7 h ARG 18 CO 0.00 0.15 -0.10 -1.49 -0.00 0.00 0.00 179.97 178.53 1ug7 h TRP 19 N 0.23 -0.26 -1.49 4.08 6.55 0.96 -2.53 115.95 123.50 1ug7 h TRP 19 Ca 0.51 -0.01 0.43 0.00 0.95 0.00 0.00 58.89 60.78 1ug7 h TRP 19 Cb 1.60 0.08 -0.06 0.00 -0.86 0.00 0.00 29.16 29.92 1ug7 h TRP 19 CO -0.00 -0.16 1.07 0.78 -1.05 0.00 0.00 178.44 179.08 1ug7 h GLY 20 N -0.42 0.02 0.90 1.49 0.00 -0.74 1.14 103.07 105.46 1ug7 h GLY 20 Ca -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1ug7 h GLY 20 CO 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 176.54 176.60 1ug7 h ALA 21 N 1.26 0.44 0.10 3.60 0.00 -0.60 -1.59 119.26 122.48 1ug7 h ALA 21 Ca 0.71 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1ug7 h ALA 21 Cb 2.85 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 20.48 1ug7 h ALA 21 CO -0.01 0.18 -0.35 0.77 0.00 0.00 0.00 179.25 179.83 1ug7 h SER 22 N 0.39 -1.06 -0.23 0.00 0.02 0.18 0.30 113.55 113.14 1ug7 h SER 22 Ca 0.10 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1ug7 h SER 22 Cb 0.41 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.27 1ug7 h SER 22 CO 0.01 -0.38 -0.44 0.25 -1.14 0.00 0.00 176.83 175.14 1ug7 h LEU 23 N -0.52 -1.40 -0.95 5.07 5.85 -1.53 0.59 115.31 122.42 1ug7 h LEU 23 Ca -0.01 0.19 0.18 0.00 0.84 0.00 0.00 57.88 59.09 1ug7 h LEU 23 Cb 0.51 0.58 -0.18 0.00 0.37 0.00 0.00 40.66 41.95 1ug7 h LEU 23 CO -0.18 -0.41 -0.27 0.03 -0.34 0.00 0.00 178.44 177.26 1ug7 h ARG 24 N -0.44 -0.01 -0.20 1.25 3.08 -0.90 0.55 114.38 117.70 1ug7 h ARG 24 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1ug7 h ARG 24 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1ug7 h ARG 24 CO -0.46 -0.00 -0.01 -0.09 -1.07 0.00 0.00 179.97 178.34 1ug7 h ARG 25 N -0.01 0.36 -0.26 0.04 2.43 0.81 -0.22 114.38 117.53 1ug7 h ARG 25 Ca 0.43 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.56 1ug7 h ARG 25 Cb 0.67 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1ug7 h ARG 25 CO -0.98 0.57 0.32 0.78 -1.51 0.00 0.00 179.97 179.15 1ug7 h GLY 26 N 0.11 0.00 0.58 2.80 0.00 0.47 0.76 103.07 107.80 1ug7 h GLY 26 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.08 1ug7 h GLY 26 CO 0.01 0.00 -1.61 0.00 0.00 0.00 0.00 176.54 174.94 1ug7 h ALA 27 N 1.60 0.25 -0.53 3.60 0.00 0.17 -3.13 119.26 121.22 1ug7 h ALA 27 Ca 0.12 -1.19 0.07 0.00 0.00 0.00 0.00 54.91 53.92 1ug7 h ALA 27 Cb 0.77 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1ug7 h ALA 27 CO -0.00 0.97 0.19 -0.44 0.00 0.00 0.00 179.25 179.98 1ug7 h ASP 28 N -0.20 0.20 0.47 0.00 3.32 0.82 0.10 116.42 121.13 1ug7 h ASP 28 Ca -0.35 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1ug7 h ASP 28 Cb 1.85 0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.45 1ug7 h ASP 28 CO 0.06 0.14 -0.22 -0.26 -1.72 0.00 0.00 179.24 177.24 1ug7 h PHE 29 N 0.38 -0.58 0.02 4.55 0.04 -1.09 -2.28 116.94 117.97 1ug7 h PHE 29 Ca 0.26 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.03 1ug7 h PHE 29 Cb 0.28 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 1ug7 h PHE 29 CO -0.16 -0.35 -0.48 0.22 -0.60 0.00 0.00 178.31 176.94 1ug7 h ASP 30 N -0.65 -1.47 -0.20 2.17 1.82 -1.38 0.79 116.42 117.49 1ug7 h ASP 30 Ca -0.06 0.16 0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1ug7 h ASP 30 Cb 0.49 0.56 -0.02 0.00 0.68 0.00 0.00 39.33 41.04 1ug7 h ASP 30 CO 0.11 -0.47 -0.12 -1.20 -1.61 0.00 0.00 179.24 175.94 1ug7 n SER 31 N -5.14 -0.22 0.00 2.28 7.64 0.31 -1.97 113.62 116.53 1ug7 n SER 31 Ca -0.07 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1ug7 n SER 31 Cb 0.36 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -3.43 0.00 0.00 1.43 8.01 -0.86 -4.85 117.44 117.73 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 0.05 -0.36 0.00 0.00 -2.01 0.00 0.00 31.31 28.99 1ug7 n TRP 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ug7 n GLY 33 N -0.95 0.00 2.61 6.99 0.00 0.79 -5.09 105.19 109.55 1ug7 n GLY 33 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.51 0.06 1.61 1.13 0.24 -4.89 117.38 118.04 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 -2.29 -0.08 0.00 0.11 0.00 0.00 30.24 27.97 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 4.64 -0.11 0.12 1.08 3.38 -1.87 0.47 115.31 123.02 1ug7 h LEU 35 Ca 0.19 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1ug7 h LEU 35 Cb 0.69 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1ug7 h LEU 35 CO 0.85 0.17 -0.48 0.58 0.09 0.00 0.00 178.44 179.65 1ug7 h VAL 36 N -0.41 0.00 -0.90 1.22 2.07 -1.98 0.53 116.25 116.79 1ug7 h VAL 36 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1ug7 h VAL 36 Cb 0.34 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1ug7 h VAL 36 CO 0.02 0.00 0.56 -0.33 0.02 0.00 0.00 177.57 177.84 1ug7 h GLU 37 N -0.69 0.97 0.44 1.57 5.08 -1.96 -2.21 114.58 117.77 1ug7 h GLU 37 Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ug7 h GLU 37 Cb 0.69 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ug7 h GLU 37 CO -0.26 0.64 -0.47 0.00 -1.00 0.00 0.00 179.01 177.92 1ug7 h ALA 38 N 1.43 -1.03 -0.62 3.43 0.00 0.11 -1.87 119.26 120.71 1ug7 h ALA 38 Ca 0.40 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1ug7 h ALA 38 Cb 0.22 0.68 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 1ug7 h ALA 38 CO -0.19 -1.12 -0.55 0.82 0.00 0.00 0.00 179.25 178.21 1ug7 h ILE 39 N -0.92 0.01 -0.97 0.00 2.04 0.47 0.33 117.51 118.47 1ug7 h ILE 39 Ca -0.05 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.99 1ug7 h ILE 39 Cb 0.82 0.01 -0.18 0.00 -0.74 0.00 0.00 36.82 36.73 1ug7 h ILE 39 CO -0.08 0.00 -0.29 -0.78 0.00 0.00 0.00 178.15 177.00 1ug7 h ASP 40 N -0.25 -1.07 0.07 1.72 3.58 -1.10 0.34 116.42 119.72 1ug7 h ASP 40 Ca 0.12 0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1ug7 h ASP 40 Cb 0.53 0.65 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 1ug7 h ASP 40 CO -0.72 -0.31 -0.15 -0.08 -2.88 0.00 0.00 179.24 175.09 1ug7 h GLU 41 N -0.00 -0.23 -0.33 0.28 4.57 0.44 0.24 114.58 119.54 1ug7 h GLU 41 Ca 0.43 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.66 1ug7 h GLU 41 Cb 0.67 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.25 1ug7 h GLU 41 CO -0.99 -0.15 -0.46 1.88 -1.18 0.00 0.00 179.01 178.11 1ug7 h TYR 42 N -0.24 -1.40 -0.43 0.92 0.05 0.07 0.19 116.97 116.12 1ug7 h TYR 42 Ca -0.01 0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.89 1ug7 h TYR 42 Cb 0.23 0.66 -0.07 0.00 1.01 0.00 0.00 36.73 38.56 1ug7 h TYR 42 CO -0.27 -0.40 -0.44 1.96 -1.05 0.00 0.00 178.16 177.96 1ug7 h GLN 43 N -0.33 -0.22 -0.73 4.88 4.20 -0.31 1.52 115.11 124.12 1ug7 h GLN 43 Ca 0.06 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.93 1ug7 h GLN 43 Cb 0.49 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 28.18 1ug7 h GLN 43 CO -0.49 -0.15 -0.19 0.82 -0.67 0.00 0.00 178.83 178.16 1ug7 h ILE 44 N -0.23 0.27 -0.76 2.54 5.03 0.11 1.08 117.51 125.55 1ug7 h ILE 44 Ca 0.07 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.79 1ug7 h ILE 44 Cb 0.42 0.27 -0.04 0.00 -3.03 0.00 0.00 36.82 34.44 1ug7 h ILE 44 CO -0.53 0.00 0.39 0.25 -0.68 0.00 0.00 178.15 177.58 1ug7 h LEU 45 N -0.00 0.96 -0.08 1.44 5.85 0.21 0.02 115.31 123.71 1ug7 h LEU 45 Ca 0.35 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1ug7 h LEU 45 Cb 0.53 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ug7 h LEU 45 CO -0.75 0.79 0.05 0.00 -0.34 0.00 0.00 178.44 178.19 1ug7 h ALA 46 N 1.36 0.10 -0.15 1.25 0.00 0.98 0.35 119.26 123.15 1ug7 h ALA 46 Ca 0.27 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ug7 h ALA 46 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ug7 h ALA 46 CO -0.04 -0.39 0.06 0.00 0.00 0.00 0.00 179.25 178.88 1ug7 h ARG 47 N 0.08 0.14 0.01 0.00 3.08 0.55 -2.76 114.38 115.47 1ug7 h ARG 47 Ca 0.03 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1ug7 h ARG 47 Cb 0.02 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1ug7 h ARG 47 CO -0.01 0.09 -0.31 0.45 -1.07 0.00 0.00 179.97 179.12 1ug7 h HIS 48 N 0.14 -0.85 -1.13 3.04 3.86 -0.74 0.55 115.15 120.02 1ug7 h HIS 48 Ca 0.06 0.03 0.41 0.00 -1.16 0.00 0.00 60.37 59.71 1ug7 h HIS 48 Cb 0.03 0.37 -0.15 0.00 1.06 0.00 0.00 27.41 28.72 1ug7 h HIS 48 CO -0.10 -0.40 0.67 -0.07 0.86 0.00 0.00 177.93 178.89 1ug7 h LEU 49 N -0.47 0.33 0.46 2.43 3.38 -0.67 0.63 115.31 121.41 1ug7 h LEU 49 Ca 0.06 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1ug7 h LEU 49 Cb 0.55 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ug7 h LEU 49 CO -0.26 -0.28 -0.22 1.56 0.09 0.00 0.00 178.44 179.34 1ug7 h GLN 50 N 0.10 -0.60 -1.61 1.13 4.20 -0.63 0.92 115.11 118.63 1ug7 h GLN 50 Ca 0.82 0.04 0.47 0.00 0.06 0.00 0.00 58.65 60.03 1ug7 h GLN 50 Cb 2.26 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 30.11 1ug7 h GLN 50 CO -0.60 -0.34 1.27 -0.22 -0.67 0.00 0.00 178.83 178.27 1ug7 h LYS 51 N -0.76 0.00 0.02 1.46 1.63 0.73 1.95 116.57 121.60 1ug7 h LYS 51 Ca -0.06 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.37 1ug7 h LYS 51 Cb 0.54 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.11 1ug7 h LYS 51 CO 0.10 0.00 -2.24 0.39 -3.45 0.00 0.00 179.45 174.26 1ug7 n GLU 52 N -3.81 0.68 -0.21 1.90 -0.58 -0.81 -1.45 120.64 116.37 1ug7 n GLU 52 Ca 0.36 0.14 -0.09 0.00 -0.42 0.00 0.00 57.16 57.15 1ug7 n GLU 52 Cb 1.76 -1.60 0.02 0.00 -0.57 0.00 0.00 31.44 31.05 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 0.50 0.81 0.00 0.62 0.00 1.00 -3.40 119.26 118.79 1ug7 h ALA 53 Ca -0.49 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1ug7 h ALA 53 Cb 2.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ug7 h ALA 53 CO 0.01 0.65 -0.31 0.00 0.00 0.00 0.00 179.25 179.60 1ug7 n GLN 54 N -4.20 0.16 0.00 0.00 10.64 0.52 -4.85 117.38 119.66 1ug7 n GLN 54 Ca 0.03 0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 1ug7 n GLN 54 Cb 0.34 -0.69 0.00 0.00 -0.86 0.00 0.00 30.24 29.03 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 -3.45 0.00 0.00 2.61 0.00 -0.53 -4.74 120.51 114.40 1ug7 n ALA 55 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ug7 n ALA 55 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1ug7 n ALA 55 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ug7 n GLN 56 N 0.00 0.00 -2.73 0.00 -0.06 -1.26 -4.21 117.38 109.12 1ug7 n GLN 56 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.96 1ug7 n GLN 56 Cb 0.00 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.20 1ug7 n GLN 56 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1ug7 s HIS 57 N 0.00 -1.12 0.00 3.69 2.46 -1.26 -4.99 115.29 114.07 1ug7 s HIS 57 Ca 0.00 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.15 1ug7 s HIS 57 Cb 0.00 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.67 1ug7 s HIS 57 CO 0.00 -0.88 0.00 0.27 -2.47 0.00 0.00 174.74 171.66 1ug7 n ASN 58 N 2.84 0.00 -3.54 9.88 6.94 -1.26 -5.16 115.26 124.96 1ug7 n ASN 58 Ca 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.70 1ug7 n ASN 58 Cb 0.59 0.32 0.01 0.00 -2.36 0.00 0.00 39.78 38.35 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1ug7 s ASN 59 N -1.81 -0.01 0.00 0.53 -0.87 -1.26 -5.11 114.94 106.40 1ug7 s ASN 59 Ca 0.00 -0.48 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 1ug7 s ASN 59 Cb 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 41.25 41.61 1ug7 s ASN 59 CO 0.00 -0.74 0.00 -0.24 -2.57 0.00 0.00 177.10 173.55 1ug7 n SER 60 N -1.06 0.00 -1.47 -1.22 2.88 -1.26 -4.74 113.62 106.74 1ug7 n SER 60 Ca -0.02 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.50 1ug7 n SER 60 Cb 0.60 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.26 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ug7 n GLU 61 N 0.00 2.83 -4.43 -1.46 4.71 -1.26 -4.51 120.64 116.52 1ug7 n GLU 61 Ca 0.00 -1.87 -0.21 0.00 -0.01 0.00 0.00 57.16 55.07 1ug7 n GLU 61 Cb 0.00 -1.88 -0.10 0.00 -1.01 0.00 0.00 31.44 28.44 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 -2.04 1.89 0.30 -0.32 0.08 -1.26 -4.95 117.98 111.68 1ug7 s PHE 62 Ca 0.33 -1.01 0.06 0.00 0.12 0.00 0.00 56.93 56.44 1ug7 s PHE 62 Cb 0.26 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.48 1ug7 s PHE 62 CO 0.09 -0.06 0.40 -0.08 -0.10 0.00 0.00 175.22 175.46 1ug7 s THR 63 N -3.38 4.44 0.17 0.64 -1.32 -1.26 -4.18 115.64 110.76 1ug7 s THR 63 Ca 0.36 -1.06 -0.25 0.00 -1.21 0.00 0.00 61.69 59.53 1ug7 s THR 63 Cb 0.08 -3.54 0.03 0.00 -1.51 0.00 0.00 72.50 67.57 1ug7 s THR 63 CO 0.15 -0.23 1.46 -0.62 -2.21 0.00 0.00 174.62 173.17 1ug7 n GLU 64 N -1.50 -0.35 -0.14 7.08 1.02 -1.26 -0.51 120.64 124.98 1ug7 n GLU 64 Ca -0.04 1.43 -0.12 0.00 -0.02 0.00 0.00 57.16 58.41 1ug7 n GLU 64 Cb 0.58 -2.12 -0.09 0.00 -0.02 0.00 0.00 31.44 29.79 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 -0.32 -0.82 3.49 5.08 -1.98 0.46 114.58 120.48 1ug7 h GLU 65 Ca 0.21 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.76 1ug7 h GLU 65 Cb 0.45 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.61 1ug7 h GLU 65 CO -0.90 -0.21 -0.18 1.96 -1.00 0.00 0.00 179.01 178.67 1ug7 h GLN 66 N -0.33 0.01 -0.20 2.33 4.20 -1.16 0.50 115.11 120.45 1ug7 h GLN 66 Ca 0.07 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.79 1ug7 h GLN 66 Cb 0.52 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1ug7 h GLN 66 CO -0.55 0.00 0.11 0.87 -0.67 0.00 0.00 178.83 178.59 1ug7 h LYS 67 N 0.01 0.23 -0.26 1.46 1.57 0.54 0.57 116.57 120.68 1ug7 h LYS 67 Ca 0.40 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 1ug7 h LYS 67 Cb 0.63 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 1ug7 h LYS 67 CO -0.84 0.15 -0.52 0.87 -0.57 0.00 0.00 179.45 178.54 1ug7 h LYS 68 N 0.24 -0.45 0.61 3.15 1.79 0.44 0.50 116.57 122.85 1ug7 h LYS 68 Ca 0.08 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 1ug7 h LYS 68 Cb -0.00 0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1ug7 h LYS 68 CO -0.04 -0.30 -0.29 1.15 -1.08 0.00 0.00 179.45 178.89 1ug7 h THR 69 N -0.47 0.40 -0.97 -0.16 2.02 -0.83 0.35 112.91 113.25 1ug7 h THR 69 Ca 0.05 -0.01 0.19 0.00 0.77 0.00 0.00 66.41 67.40 1ug7 h THR 69 Cb 0.60 0.41 -0.18 0.00 -1.74 0.00 0.00 68.15 67.24 1ug7 h THR 69 CO -0.49 0.00 -0.27 0.40 0.37 0.00 0.00 175.52 175.53 1ug7 h ILE 70 N -0.83 0.03 -0.09 3.11 2.04 0.65 0.76 117.51 123.17 1ug7 h ILE 70 Ca -0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1ug7 h ILE 70 Cb 0.63 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1ug7 h ILE 70 CO 0.14 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.49 1ug7 h GLY 71 N -0.00 0.20 -0.00 5.37 0.00 0.28 -2.99 103.07 105.92 1ug7 h GLY 71 Ca 0.44 -0.17 0.19 0.00 0.00 0.00 0.00 47.33 47.79 1ug7 h GLY 71 CO -0.99 0.15 0.41 0.50 0.00 0.00 0.00 176.54 176.61 1ug7 h LYS 72 N -0.16 0.49 -0.27 4.80 1.57 0.38 0.17 116.57 123.55 1ug7 h LYS 72 Ca 0.02 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1ug7 h LYS 72 Cb 0.44 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1ug7 h LYS 72 CO 0.01 0.32 -0.14 0.82 -0.57 0.00 0.00 179.45 179.89 1ug7 h ILE 73 N 0.50 0.57 -0.04 1.86 2.04 0.43 -1.57 117.51 121.31 1ug7 h ILE 73 Ca 0.52 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.41 1ug7 h ILE 73 Cb 0.88 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1ug7 h ILE 73 CO -0.45 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.49 1ug7 h ALA 74 N 1.11 -0.24 -0.92 1.87 0.00 -0.63 -1.10 119.26 119.36 1ug7 h ALA 74 Ca 0.14 0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.32 1ug7 h ALA 74 Cb 0.32 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 18.33 1ug7 h ALA 74 CO -0.34 -0.69 0.13 1.15 0.00 0.00 0.00 179.25 179.50 1ug7 h THR 75 N -0.31 0.17 -0.12 0.00 2.02 -0.32 0.86 112.91 115.21 1ug7 h THR 75 Ca 0.07 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1ug7 h THR 75 Cb 0.41 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1ug7 h THR 75 CO -0.22 0.02 0.06 0.00 0.37 0.00 0.00 175.52 175.75 1ug7 h LEU 77 N 0.08 -1.61 -1.57 0.00 3.38 0.18 1.30 115.31 117.07 1ug7 h LEU 77 Ca 0.04 0.25 0.33 0.00 0.09 0.00 0.00 57.88 58.59 1ug7 h LEU 77 Cb 0.10 0.71 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1ug7 h LEU 77 CO -0.01 -0.35 1.06 -0.33 0.09 0.00 0.00 178.44 178.90 1ug7 h GLU 78 N -0.27 0.00 0.01 1.13 5.08 -0.93 0.75 114.58 120.34 1ug7 h GLU 78 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1ug7 h GLU 78 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ug7 h GLU 78 CO -0.66 0.00 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.27 1ug7 h LEU 79 N 0.00 -0.01 0.30 1.33 3.38 0.17 -3.08 115.31 117.39 1ug7 h LEU 79 Ca 0.54 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ug7 h LEU 79 Cb 2.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.40 1ug7 h LEU 79 CO -0.01 0.81 -0.24 -0.09 0.09 0.00 0.00 178.44 179.00 1ug7 h ARG 80 N -0.98 -0.50 -0.97 1.13 9.65 0.16 1.11 114.38 123.99 1ug7 h ARG 80 Ca -0.00 0.03 0.18 0.00 -1.10 0.00 0.00 59.98 59.09 1ug7 h ARG 80 Cb 0.69 0.11 -0.17 0.00 -1.39 0.00 0.00 29.97 29.21 1ug7 h ARG 80 CO 0.00 -0.33 -0.29 0.43 2.80 0.00 0.00 179.97 182.57 1ug7 n SER 81 N -3.79 -0.46 -0.17 -3.80 7.64 0.41 0.17 113.62 113.62 1ug7 n SER 81 Ca -0.06 1.67 -0.09 0.00 1.01 0.00 0.00 58.87 61.40 1ug7 n SER 81 Cb 0.23 -0.46 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 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 1.71 0.64 -1.01 -0.43 0.00 -1.39 -2.08 119.26 116.70 1ug7 h ALA 82 Ca 0.42 -0.21 0.25 0.00 0.00 0.00 0.00 54.91 55.36 1ug7 h ALA 82 Cb 0.66 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1ug7 h ALA 82 CO -0.98 0.34 0.66 0.00 0.00 0.00 0.00 179.25 179.26 1ug7 h ALA 83 N 0.98 2.26 0.11 0.00 0.00 1.06 0.21 119.26 123.88 1ug7 h ALA 83 Ca 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ug7 h ALA 83 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ug7 h ALA 83 CO 0.00 -0.62 -0.05 -0.07 0.00 0.00 0.00 179.25 178.51 1ug7 h LEU 84 N 0.39 -0.13 -0.78 0.00 3.38 -0.09 -3.17 115.31 114.92 1ug7 h LEU 84 Ca 0.56 -0.38 0.15 0.00 0.09 0.00 0.00 57.88 58.29 1ug7 h LEU 84 Cb 1.43 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 42.11 1ug7 h LEU 84 CO -0.25 0.35 0.32 1.56 0.09 0.00 0.00 178.44 180.51 1ug7 h GLN 85 N -0.64 0.44 -6.81 1.13 4.20 -0.34 -3.40 115.11 109.70 1ug7 h GLN 85 Ca -0.02 -0.03 -0.54 0.00 0.06 0.00 0.00 58.65 58.12 1ug7 h GLN 85 Cb 0.50 -0.10 0.20 0.00 0.30 0.00 0.00 27.48 28.38 1ug7 h GLN 85 CO 0.02 0.29 -0.34 0.43 -0.67 0.00 0.00 178.83 178.56 1ug7 n SER 86 N -5.00 -1.18 -4.57 1.46 7.64 0.48 -4.68 113.62 107.77 1ug7 n SER 86 Ca 0.15 0.48 -0.15 0.00 1.01 0.00 0.00 58.87 60.37 1ug7 n SER 86 Cb 0.44 -1.26 -0.09 0.00 -1.01 0.00 0.00 64.21 62.28 1ug7 n SER 86 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ug7 s THR 87 N -2.15 3.04 0.00 0.44 2.01 -1.26 -4.31 115.64 113.40 1ug7 s THR 87 Ca 0.63 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1ug7 s THR 87 Cb -0.28 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.62 1ug7 s THR 87 CO 0.61 -0.07 0.00 1.67 -0.69 0.00 0.00 174.62 176.14 1ug7 n GLN 88 N 8.45 0.00 -3.57 4.92 7.27 -1.26 -4.62 117.38 128.57 1ug7 n GLN 88 Ca 0.44 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.45 1ug7 n GLN 88 Cb 0.45 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.08 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ug7 s SER 89 N 0.00 -0.22 0.10 1.69 0.15 -1.26 -4.74 113.70 109.42 1ug7 s SER 89 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1ug7 s SER 89 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1ug7 s SER 89 CO 0.00 -0.39 0.00 1.67 1.20 0.00 0.00 173.24 175.72 1ug7 n GLN 90 N -0.17 0.00 0.00 5.44 -0.06 -1.26 -5.06 117.38 116.27 1ug7 n GLN 90 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1ug7 n GLN 90 Cb 0.60 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.78 1ug7 n GLN 90 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1ug7 n GLU 91 N -2.79 0.00 -2.63 3.69 1.02 -1.26 -5.18 120.64 113.50 1ug7 n GLU 91 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1ug7 n GLU 91 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 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 0.24 -1.57 3.49 0.28 -1.26 -5.12 120.64 116.70 1ug7 n GLU 92 Ca 0.00 -0.93 -0.43 0.00 -0.16 0.00 0.00 57.16 55.64 1ug7 n GLU 92 Cb 0.00 0.71 -0.00 0.00 1.43 0.00 0.00 31.44 33.58 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ug7 n PHE 93 N -0.19 0.90 -3.34 -1.84 7.35 -1.26 -5.00 117.46 114.08 1ug7 n PHE 93 Ca 0.01 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.34 1ug7 n PHE 93 Cb 0.17 -2.19 0.00 0.00 0.35 0.00 0.00 39.48 37.81 1ug7 n PHE 93 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1ug7 n LYS 94 N 0.48 1.51 -0.06 -4.13 2.85 -1.26 -4.59 118.16 112.96 1ug7 n LYS 94 Ca 0.10 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.24 1ug7 n LYS 94 Cb 0.36 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.63 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 -0.98 -5.58 6.46 -1.98 -2.83 115.31 110.39 1ug7 h LEU 95 Ca 0.00 -0.80 0.12 0.00 -0.12 0.00 0.00 57.88 57.08 1ug7 h LEU 95 Cb 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 39.85 1ug7 h LEU 95 CO 0.00 0.89 0.60 1.05 -0.62 0.00 0.00 178.44 180.36 1ug7 h GLU 96 N -0.98 0.91 -0.01 1.25 4.11 -1.97 1.06 114.58 118.95 1ug7 h GLU 96 Ca -0.00 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 1ug7 h GLU 96 Cb 0.81 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ug7 h GLU 96 CO 0.00 0.60 -0.32 -0.44 0.07 0.00 0.00 179.01 178.93 1ug7 h ASP 97 N 0.94 0.01 0.15 3.06 3.32 -1.97 -2.29 116.42 119.64 1ug7 h ASP 97 Ca 0.49 -0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.31 1ug7 h ASP 97 Cb 0.51 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.08 1ug7 h ASP 97 CO -0.28 0.33 -0.97 0.25 -1.72 0.00 0.00 179.24 176.85 1ug7 h LEU 98 N 0.01 0.60 -1.54 1.55 5.85 -0.03 -3.12 115.31 118.63 1ug7 h LEU 98 Ca -0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1ug7 h LEU 98 Cb 0.57 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1ug7 h LEU 98 CO 0.04 1.46 0.03 0.11 -0.34 0.00 0.00 178.44 179.75 1ug7 h LYS 99 N -0.16 0.00 0.00 1.25 6.56 0.12 0.48 116.57 124.82 1ug7 h LYS 99 Ca -0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 1ug7 h LYS 99 Cb 1.74 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.40 1ug7 h LYS 99 CO 0.18 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.20 1ug7 n LYS 100 N -2.33 0.52 0.00 3.15 5.02 -0.89 -1.54 118.16 122.09 1ug7 n LYS 100 Ca -0.02 0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.43 1ug7 n LYS 100 Cb 0.07 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.14 2.57 -0.00 -0.35 4.77 0.17 -3.92 117.00 119.09 1ug7 n LEU 101 Ca 0.14 -0.91 -0.17 0.00 -0.03 0.00 0.00 56.01 55.04 1ug7 n LEU 101 Cb 0.12 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 1ug7 n LEU 101 CO 0.15 0.45 0.25 -0.08 -1.33 0.00 0.00 177.39 176.83 1ug7 h GLU 102 N 3.71 0.23 0.00 3.23 4.81 -1.41 -2.77 114.58 122.38 1ug7 h GLU 102 Ca 0.00 -0.31 -0.15 0.00 -0.13 0.00 0.00 59.36 58.77 1ug7 h GLU 102 Cb 0.88 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1ug7 h GLU 102 CO 0.00 1.07 -0.70 -1.00 -0.73 0.00 0.00 179.01 177.65 1ug7 h PRO 103 N -0.46 0.00 0.31 0.92 0.13 -1.75 -2.79 132.00 128.37 1ug7 h PRO 103 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1ug7 h PRO 103 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ug7 h PRO 103 CO 0.09 0.70 -0.15 0.82 -0.23 0.00 0.00 178.00 179.23 1ug7 h ILE 104 N 0.00 0.71 -0.72 -3.56 2.04 -1.68 1.49 117.51 115.79 1ug7 h ILE 104 Ca -0.01 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.52 1ug7 h ILE 104 Cb 1.29 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 1ug7 h ILE 104 CO 0.09 0.09 0.48 -0.07 0.00 0.00 0.00 178.15 178.73 1ug7 h LEU 105 N -0.65 0.57 -0.04 1.44 3.38 -1.53 0.97 115.31 119.45 1ug7 h LEU 105 Ca -0.04 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1ug7 h LEU 105 Cb 0.46 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ug7 h LEU 105 CO 0.07 0.35 -0.66 0.11 0.09 0.00 0.00 178.44 178.39 1ug7 h LYS 106 N 0.64 0.52 -0.89 1.13 1.79 -1.19 -3.06 116.57 115.50 1ug7 h LYS 106 Ca 0.33 -0.51 -0.16 0.00 -2.18 0.00 0.00 60.65 58.14 1ug7 h LYS 106 Cb 0.44 0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.13 1ug7 h LYS 106 CO -0.11 1.14 0.20 0.09 -1.08 0.00 0.00 179.45 179.68 1ug7 n ASN 107 N -4.14 3.53 0.01 0.86 3.02 0.51 -4.35 115.26 114.69 1ug7 n ASN 107 Ca -0.10 -2.72 -0.10 0.00 -0.03 0.00 0.00 54.58 51.63 1ug7 n ASN 107 Cb 0.69 -0.65 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 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 1.33 0.89 -0.08 2.41 1.08 0.10 0.21 117.51 123.45 1ug7 h ILE 108 Ca 0.19 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.68 1ug7 h ILE 108 Cb 1.72 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 1ug7 h ILE 108 CO 0.46 0.00 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.83 1ug7 h LEU 109 N -0.02 -0.07 -3.21 1.44 3.38 -1.84 -1.44 115.31 113.55 1ug7 h LEU 109 Ca 0.04 0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 1ug7 h LEU 109 Cb 0.09 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.75 1ug7 h LEU 109 CO -0.10 -0.02 0.35 1.07 0.09 0.00 0.00 178.44 179.83 1ug7 n THR 110 N -5.13 2.42 -3.27 0.22 5.66 -0.96 -4.87 114.28 108.34 1ug7 n THR 110 Ca -0.05 -1.28 -0.40 0.00 -3.05 0.00 0.00 64.05 59.27 1ug7 n THR 110 Cb 0.07 -1.09 -0.08 0.00 -1.55 0.00 0.00 70.33 67.68 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 -1.63 3.27 -0.66 1.09 5.04 0.70 -4.96 117.35 120.20 1ug7 s TYR 111 Ca 0.28 0.59 0.01 0.00 -2.44 0.00 0.00 57.07 55.51 1ug7 s TYR 111 Cb 0.22 -2.68 0.39 0.00 0.35 0.00 0.00 41.96 40.24 1ug7 s TYR 111 CO 0.02 -0.26 1.71 -1.71 -1.34 0.00 0.00 175.55 173.97 1ug7 n ASN 112 N 5.46 6.57 -0.54 4.32 5.15 -1.26 -5.02 115.26 129.94 1ug7 n ASN 112 Ca -0.05 -3.79 0.02 0.00 -0.60 0.00 0.00 54.58 50.16 1ug7 n ASN 112 Cb 0.50 -0.83 -0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ug7 n LYS 113 N -0.60 -0.26 -1.27 1.20 4.76 -1.26 -5.00 118.16 115.73 1ug7 n LYS 113 Ca 0.50 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1ug7 n LYS 113 Cb 0.48 -0.32 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ug7 n GLU 114 N -1.24 0.00 -3.42 1.97 2.13 -1.26 -5.06 120.64 113.76 1ug7 n GLU 114 Ca 0.00 0.42 -0.36 0.00 0.66 0.00 0.00 57.16 57.89 1ug7 n GLU 114 Cb 0.06 -0.97 -0.06 0.00 0.27 0.00 0.00 31.44 30.75 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 -0.24 3.63 -1.85 4.31 5.36 -1.26 -4.96 117.98 122.97 1ug7 s PHE 115 Ca 0.00 1.00 0.24 0.00 -0.96 0.00 0.00 56.93 57.21 1ug7 s PHE 115 Cb 0.00 -2.31 1.36 0.00 -0.34 0.00 0.00 43.02 41.73 1ug7 s PHE 115 CO 0.00 0.49 1.79 -0.35 -1.46 0.00 0.00 175.22 175.69 1ug7 n PRO 116 N 1.01 0.64 -4.08 10.12 -0.04 -1.26 -4.71 135.00 136.68 1ug7 n PRO 116 Ca -0.07 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.27 1ug7 n PRO 116 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.15 0.55 -1.24 0.54 0.08 -1.26 -5.07 117.98 109.43 1ug7 s PHE 117 Ca 0.32 -0.34 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 1ug7 s PHE 117 Cb 0.16 -0.34 0.14 0.00 -0.57 0.00 0.00 43.02 42.41 1ug7 s PHE 117 CO 0.30 -0.06 1.53 -0.51 -0.10 0.00 0.00 175.22 176.38 1ug7 s ASP 118 N -1.02 7.00 -0.04 1.36 1.01 -1.26 -4.94 116.67 118.78 1ug7 s ASP 118 Ca -0.06 -2.82 0.06 0.00 0.71 0.00 0.00 52.55 50.44 1ug7 s ASP 118 Cb -0.07 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1ug7 s ASP 118 CO 0.00 -0.88 -0.23 0.68 0.21 0.00 0.00 175.17 174.95 1ug7 s VAL 119 N 2.42 1.85 0.40 -1.27 -7.23 -1.26 -5.13 120.40 110.18 1ug7 s VAL 119 Ca 0.46 -0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 1ug7 s VAL 119 Cb -0.01 -1.56 -0.08 0.00 0.56 0.00 0.00 36.38 35.30 1ug7 s VAL 119 CO 0.03 0.52 0.81 -1.10 -0.31 0.00 0.00 175.10 175.05 1ug7 s GLN 120 N -0.24 3.90 0.24 4.82 1.11 -1.26 -4.86 119.66 123.36 1ug7 s GLN 120 Ca 0.00 0.66 -0.30 0.00 0.01 0.00 0.00 55.36 55.73 1ug7 s GLN 120 Cb -0.12 -2.34 -0.09 0.00 -1.01 0.00 0.00 33.01 29.45 1ug7 s GLN 120 CO 0.02 -0.03 1.09 -1.25 0.01 0.00 0.00 175.29 175.14 1ug7 s PRO 121 N -3.61 4.63 -0.04 2.91 0.04 -1.26 -4.26 135.00 133.41 1ug7 s PRO 121 Ca 0.54 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1ug7 s PRO 121 Cb -0.10 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1ug7 s PRO 121 CO 0.26 0.17 1.22 0.42 0.04 0.00 0.00 177.00 179.12 1ug7 s ILE 122 N -0.82 4.18 -0.38 0.56 1.01 -1.26 -4.90 121.20 119.58 1ug7 s ILE 122 Ca 0.46 1.51 0.04 0.00 0.00 0.00 0.00 60.65 62.67 1ug7 s ILE 122 Cb -0.31 -3.97 0.16 0.00 0.01 0.00 0.00 42.46 38.35 1ug7 s ILE 122 CO 0.38 0.01 0.45 -0.44 0.00 0.00 0.00 174.94 175.34 1ug7 s SER 123 N 1.49 0.40 0.00 3.58 0.01 -1.26 -4.65 113.70 113.27 1ug7 s SER 123 Ca 0.57 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1ug7 s SER 123 Cb -0.26 0.96 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1ug7 s SER 123 CO 0.23 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1ug7 n GLY 124 N 4.32 -1.25 3.78 3.44 0.00 -1.26 -5.13 105.19 109.10 1ug7 n GLY 124 Ca 0.11 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.90 4.10 -0.44 1.61 0.04 -1.26 -4.88 135.00 132.28 1ug7 s PRO 125 Ca 0.00 1.50 -0.41 0.00 0.04 0.00 0.00 61.00 62.13 1ug7 s PRO 125 Cb 0.00 -2.47 -0.16 0.00 0.04 0.00 0.00 34.50 31.91 1ug7 s PRO 125 CO 0.00 -0.20 2.09 -1.13 0.04 0.00 0.00 177.00 177.80 1ug7 n SER 126 N -0.22 1.32 -3.85 6.66 3.41 -1.26 -4.90 113.62 114.78 1ug7 n SER 126 Ca 0.06 0.66 -0.25 0.00 -0.26 0.00 0.00 58.87 59.08 1ug7 n SER 126 Cb 0.50 -1.03 -0.17 0.00 -0.26 0.00 0.00 64.21 63.25 1ug7 n SER 126 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ug7 s SER 127 N 6.02 1.90 0.00 4.04 0.01 -1.26 -5.28 113.70 119.14 1ug7 s SER 127 Ca 1.14 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1ug7 s SER 127 Cb -1.27 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 64.29 1ug7 s SER 127 CO 0.62 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.73