#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 5.97 -0.40 1.61 0.01 -1.26 -5.09 113.70 114.55 1ug7 s SER 2 Ca 0.00 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.13 1ug7 s SER 2 Cb 0.00 -1.26 0.12 0.00 0.21 0.00 0.00 66.02 65.09 1ug7 s SER 2 CO 0.00 -0.44 0.18 -0.44 0.41 0.00 0.00 173.24 172.94 1ug7 s SER 3 N -4.17 3.93 0.00 2.44 0.01 -1.26 -5.07 113.70 109.58 1ug7 s SER 3 Ca 0.45 -2.31 0.00 0.00 1.31 0.00 0.00 55.95 55.40 1ug7 s SER 3 Cb -0.10 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1ug7 s SER 3 CO 0.31 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1ug7 n GLY 4 N 3.97 -2.02 2.69 3.44 0.00 -1.26 -4.90 105.19 107.12 1ug7 n GLY 4 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1ug7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug7 s SER 5 N -2.07 0.99 -0.92 1.61 0.01 -1.26 -5.05 113.70 107.00 1ug7 s SER 5 Ca 0.00 -1.88 -0.02 0.00 1.31 0.00 0.00 55.95 55.36 1ug7 s SER 5 Cb 0.00 0.50 0.24 0.00 0.21 0.00 0.00 66.02 66.97 1ug7 s SER 5 CO 0.00 -0.22 0.91 -0.24 0.41 0.00 0.00 173.24 174.10 1ug7 n SER 6 N 3.85 4.59 -4.70 2.44 2.88 -1.26 -5.05 113.62 116.37 1ug7 n SER 6 Ca 0.15 -3.19 -0.42 0.00 -1.33 0.00 0.00 58.87 54.08 1ug7 n SER 6 Cb 0.46 -1.07 -0.03 0.00 -0.75 0.00 0.00 64.21 62.82 1ug7 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ug7 s GLY 7 N -0.46 2.19 0.30 0.46 0.00 -1.26 -4.65 107.32 103.91 1ug7 s GLY 7 Ca 0.30 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.78 1ug7 s GLY 7 CO -0.08 2.19 0.00 -0.13 0.00 0.00 0.00 173.10 175.08 1ug7 n MET 8 N 4.71 -5.64 0.00 2.90 1.56 -1.26 -5.08 117.12 114.30 1ug7 n MET 8 Ca 0.10 4.02 0.00 0.00 -0.27 0.00 0.00 57.70 61.55 1ug7 n MET 8 Cb 0.46 -4.38 0.00 0.00 2.15 0.00 0.00 33.22 31.45 1ug7 n MET 8 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1ug7 n SER 9 N 1.30 0.00 -0.00 6.12 7.64 -1.26 -4.97 113.62 122.44 1ug7 n SER 9 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1ug7 n SER 9 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.00 2.28 0.06 1.43 2.13 -1.26 -3.96 120.64 121.32 1ug7 n GLU 10 Ca 0.00 -0.03 -0.20 0.00 0.66 0.00 0.00 57.16 57.59 1ug7 n GLU 10 Cb 0.00 -0.96 -0.15 0.00 0.27 0.00 0.00 31.44 30.61 1ug7 n GLU 10 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1ug7 h VAL 11 N 0.00 0.98 0.03 6.31 -1.51 -1.99 -3.18 116.25 116.89 1ug7 h VAL 11 Ca 0.00 -2.60 -0.04 0.00 -1.23 0.00 0.00 66.70 62.84 1ug7 h VAL 11 Cb 0.18 2.73 0.00 0.00 -2.13 0.00 0.00 31.29 32.08 1ug7 h VAL 11 CO 0.00 0.84 -0.16 0.74 -1.23 0.00 0.00 177.57 177.76 1ug7 h THR 12 N 0.09 1.74 -0.95 7.19 2.02 -1.94 -3.12 112.91 117.94 1ug7 h THR 12 Ca -0.32 -2.38 0.19 0.00 0.77 0.00 0.00 66.41 64.68 1ug7 h THR 12 Cb 2.07 3.35 -0.11 0.00 -1.74 0.00 0.00 68.15 71.72 1ug7 h THR 12 CO 0.16 0.63 0.53 -0.09 0.37 0.00 0.00 175.52 177.12 1ug7 h ARG 13 N -0.87 0.62 0.00 6.66 1.12 -1.74 0.83 114.38 121.00 1ug7 h ARG 13 Ca -0.03 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.74 1ug7 h ARG 13 Cb 1.12 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.93 1ug7 h ARG 13 CO 0.03 0.41 -0.30 0.77 -3.11 0.00 0.00 179.97 177.77 1ug7 h SER 14 N 0.64 0.00 0.47 -3.80 0.02 -1.64 -2.89 113.55 106.35 1ug7 h SER 14 Ca 0.56 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.49 1ug7 h SER 14 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1ug7 h SER 14 CO -0.42 0.30 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.28 1ug7 h LEU 15 N 0.00 -0.54 -1.72 5.07 3.38 0.67 0.91 115.31 123.08 1ug7 h LEU 15 Ca -0.00 0.02 0.42 0.00 0.09 0.00 0.00 57.88 58.40 1ug7 h LEU 15 Cb 0.55 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 1ug7 h LEU 15 CO 0.04 -0.19 1.19 -0.07 0.09 0.00 0.00 178.44 179.49 1ug7 h LEU 16 N -1.01 0.00 0.00 1.67 -0.00 -1.08 0.59 115.31 115.48 1ug7 h LEU 16 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1ug7 h LEU 16 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1ug7 h LEU 16 CO 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.55 1ug7 n GLN 17 N -3.76 0.00 -0.54 1.13 6.02 -1.10 -3.05 117.38 116.08 1ug7 n GLN 17 Ca 0.32 0.26 0.43 0.00 -0.01 0.00 0.00 57.00 58.00 1ug7 n GLN 17 Cb 1.63 -0.75 0.70 0.00 1.02 0.00 0.00 30.24 32.84 1ug7 n GLN 17 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1ug7 n ARG 18 N -2.17 -0.02 0.06 -1.09 -4.01 0.31 0.12 116.66 109.86 1ug7 n ARG 18 Ca 0.00 1.11 -0.03 0.00 -1.04 0.00 0.00 57.85 57.90 1ug7 n ARG 18 Cb 0.00 -2.34 -0.01 0.00 -3.04 0.00 0.00 32.46 27.06 1ug7 n ARG 18 CO 0.00 0.00 0.00 -1.49 -3.04 0.00 0.00 177.63 173.10 1ug7 h TRP 19 N 0.00 -0.15 -0.72 2.89 6.55 -0.01 -2.61 115.95 121.89 1ug7 h TRP 19 Ca 0.86 -0.00 0.21 0.00 0.95 0.00 0.00 58.89 60.90 1ug7 h TRP 19 Cb 3.06 0.05 -0.03 0.00 -0.86 0.00 0.00 29.16 31.38 1ug7 h TRP 19 CO -0.00 -0.10 0.62 0.78 -1.05 0.00 0.00 178.44 178.69 1ug7 h GLY 20 N -0.29 0.00 1.01 1.49 0.00 -0.24 0.50 103.07 105.54 1ug7 h GLY 20 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1ug7 h GLY 20 CO 0.03 0.00 0.13 0.00 0.00 0.00 0.00 176.54 176.70 1ug7 h ALA 21 N 1.44 0.75 0.65 3.60 0.00 0.10 -0.77 119.26 125.04 1ug7 h ALA 21 Ca 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1ug7 h ALA 21 Cb 1.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ug7 h ALA 21 CO -0.00 0.46 -0.34 0.77 0.00 0.00 0.00 179.25 180.14 1ug7 h SER 22 N 0.82 -0.84 -0.27 0.00 0.02 0.41 -1.49 113.55 112.20 1ug7 h SER 22 Ca 0.18 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1ug7 h SER 22 Cb 0.36 0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.05 1ug7 h SER 22 CO 0.00 -0.56 -0.55 0.25 -1.14 0.00 0.00 176.83 174.84 1ug7 h LEU 23 N -0.92 -1.78 -0.99 5.07 5.85 -1.50 0.68 115.31 121.72 1ug7 h LEU 23 Ca -0.09 0.22 0.26 0.00 0.84 0.00 0.00 57.88 59.12 1ug7 h LEU 23 Cb 0.71 0.71 -0.18 0.00 0.37 0.00 0.00 40.66 42.27 1ug7 h LEU 23 CO 0.13 -0.44 -0.01 0.03 -0.34 0.00 0.00 178.44 177.80 1ug7 h ARG 24 N -0.49 0.00 -0.21 1.25 2.47 -1.10 0.85 114.38 117.15 1ug7 h ARG 24 Ca 0.06 -0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1ug7 h ARG 24 Cb 0.64 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1ug7 h ARG 24 CO -0.52 0.00 -0.17 -0.09 0.56 0.00 0.00 179.97 179.76 1ug7 h ARG 25 N 0.01 0.49 -0.96 0.04 2.43 0.30 -2.50 114.38 114.19 1ug7 h ARG 25 Ca 0.59 -0.24 0.22 0.00 -0.81 0.00 0.00 59.98 59.74 1ug7 h ARG 25 Cb 1.17 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 1ug7 h ARG 25 CO -0.94 0.81 0.62 0.78 -1.51 0.00 0.00 179.97 179.73 1ug7 h GLY 26 N 0.18 1.02 0.79 2.80 0.00 0.64 0.14 103.07 108.64 1ug7 h GLY 26 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 1ug7 h GLY 26 CO 0.04 -0.04 -0.39 0.00 0.00 0.00 0.00 176.54 176.16 1ug7 h ALA 27 N 1.61 0.18 -0.25 3.60 0.00 -0.65 -2.82 119.26 120.93 1ug7 h ALA 27 Ca 0.51 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ug7 h ALA 27 Cb 1.25 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1ug7 h ALA 27 CO -0.22 0.28 -0.30 -0.44 0.00 0.00 0.00 179.25 178.57 1ug7 h ASP 28 N 0.01 -0.96 0.13 0.00 3.32 -0.32 1.01 116.42 119.62 1ug7 h ASP 28 Ca -0.02 0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.20 1ug7 h ASP 28 Cb 1.02 0.43 -0.05 0.00 0.22 0.00 0.00 39.33 40.96 1ug7 h ASP 28 CO 0.08 -0.32 -0.50 -0.26 -1.72 0.00 0.00 179.24 176.52 1ug7 h PHE 29 N -0.31 -1.42 0.01 4.55 0.04 -1.22 -0.86 116.94 117.73 1ug7 h PHE 29 Ca 0.13 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.97 1ug7 h PHE 29 Cb 0.52 0.60 -0.04 0.00 2.20 0.00 0.00 35.95 39.23 1ug7 h PHE 29 CO -0.44 -0.58 -0.27 0.22 -0.60 0.00 0.00 178.31 176.64 1ug7 h ASP 30 N -0.74 -0.78 -0.15 2.17 3.58 -1.15 1.66 116.42 121.01 1ug7 h ASP 30 Ca 0.00 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.57 1ug7 h ASP 30 Cb 0.74 0.32 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 1ug7 h ASP 30 CO -0.27 -0.34 -0.09 0.28 -2.88 0.00 0.00 179.24 175.95 1ug7 h SER 31 N -0.42 -0.32 0.23 2.28 0.02 0.15 -2.34 113.55 113.15 1ug7 h SER 31 Ca 0.06 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1ug7 h SER 31 Cb 0.49 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1ug7 h SER 31 CO -0.22 -0.03 -0.21 -0.50 -1.14 0.00 0.00 176.83 174.73 1ug7 h TRP 32 N -0.00 -0.57 0.00 3.45 6.55 -0.97 -3.47 115.95 120.95 1ug7 h TRP 32 Ca 0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1ug7 h TRP 32 Cb 0.06 0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 1ug7 h TRP 32 CO -0.95 -0.28 0.00 0.41 -1.05 0.00 0.00 178.44 176.57 1ug7 n GLY 33 N -1.23 0.00 2.37 1.49 0.00 0.18 -5.06 105.19 102.94 1ug7 n GLY 33 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1ug7 n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ug7 n GLN 34 N 0.00 3.35 -0.28 1.61 1.13 0.51 -4.83 117.38 118.87 1ug7 n GLN 34 Ca 0.00 -4.18 0.20 0.00 -1.94 0.00 0.00 57.00 51.08 1ug7 n GLN 34 Cb 0.00 -2.27 0.37 0.00 0.11 0.00 0.00 30.24 28.45 1ug7 n GLN 34 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1ug7 n LEU 35 N -0.60 0.10 0.25 1.08 4.77 -1.26 0.14 117.00 121.48 1ug7 n LEU 35 Ca 0.44 1.40 -0.18 0.00 -0.03 0.00 0.00 56.01 57.65 1ug7 n LEU 35 Cb 0.71 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1ug7 n LEU 35 CO 0.41 -1.49 0.52 0.58 -1.33 0.00 0.00 177.39 176.08 1ug7 h VAL 36 N 0.00 0.00 -0.89 4.08 2.07 -1.95 0.79 116.25 120.36 1ug7 h VAL 36 Ca 0.61 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.11 1ug7 h VAL 36 Cb 1.46 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1ug7 h VAL 36 CO -0.71 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 177.03 1ug7 h GLU 37 N -0.96 1.25 -0.14 1.57 5.08 0.77 -1.91 114.58 120.24 1ug7 h GLU 37 Ca -0.05 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1ug7 h GLU 37 Cb 0.86 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1ug7 h GLU 37 CO -0.12 0.92 -0.05 0.00 -1.00 0.00 0.00 179.01 178.76 1ug7 h ALA 38 N 1.28 0.08 0.43 3.43 0.00 0.12 0.08 119.26 124.67 1ug7 h ALA 38 Ca 0.31 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1ug7 h ALA 38 Cb 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ug7 h ALA 38 CO -0.05 -0.49 -0.52 0.82 0.00 0.00 0.00 179.25 179.01 1ug7 h ILE 39 N -0.02 0.00 -0.56 0.00 2.04 0.10 0.13 117.51 119.20 1ug7 h ILE 39 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 1ug7 h ILE 39 Cb 0.13 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.12 1ug7 h ILE 39 CO -0.16 0.00 -0.52 -0.78 0.00 0.00 0.00 178.15 176.69 1ug7 h ASP 40 N -0.96 -1.80 -0.39 1.72 1.82 -1.10 0.71 116.42 116.42 1ug7 h ASP 40 Ca -0.05 0.25 0.05 0.00 -0.39 0.00 0.00 57.03 56.89 1ug7 h ASP 40 Cb 0.86 0.76 -0.08 0.00 0.68 0.00 0.00 39.33 41.55 1ug7 h ASP 40 CO -0.11 -0.32 -0.54 -0.08 -1.61 0.00 0.00 179.24 176.58 1ug7 h GLU 41 N -0.24 -0.39 0.10 0.28 4.57 -0.68 0.78 114.58 119.00 1ug7 h GLU 41 Ca 0.09 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1ug7 h GLU 41 Cb 0.49 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 1ug7 h GLU 41 CO -0.65 -0.26 -0.37 1.88 -1.18 0.00 0.00 179.01 178.43 1ug7 h TYR 42 N -0.40 -1.07 -0.16 0.92 0.05 0.68 0.66 116.97 117.66 1ug7 h TYR 42 Ca 0.08 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.91 1ug7 h TYR 42 Cb 0.60 0.45 -0.05 0.00 1.01 0.00 0.00 36.73 38.74 1ug7 h TYR 42 CO -0.70 -0.42 -0.43 1.96 -1.05 0.00 0.00 178.16 177.51 1ug7 h GLN 43 N -0.54 -0.41 -0.93 4.88 4.20 0.84 0.51 115.11 123.66 1ug7 h GLN 43 Ca -0.01 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.86 1ug7 h GLN 43 Cb 0.53 0.09 -0.14 0.00 0.30 0.00 0.00 27.48 28.27 1ug7 h GLN 43 CO -0.19 -0.28 -0.46 0.82 -0.67 0.00 0.00 178.83 178.06 1ug7 h ILE 44 N -0.43 0.02 -0.78 2.54 5.03 0.74 1.37 117.51 126.01 1ug7 h ILE 44 Ca 0.03 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.86 1ug7 h ILE 44 Cb 0.52 0.02 -0.07 0.00 -3.03 0.00 0.00 36.82 34.26 1ug7 h ILE 44 CO -0.37 0.00 0.43 0.25 -0.68 0.00 0.00 178.15 177.78 1ug7 h LEU 45 N -0.04 0.62 0.07 1.44 5.85 0.23 0.56 115.31 124.03 1ug7 h LEU 45 Ca 0.27 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.05 1ug7 h LEU 45 Cb 0.54 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1ug7 h LEU 45 CO -0.93 0.37 -0.22 0.00 -0.34 0.00 0.00 178.44 177.32 1ug7 h ALA 46 N 1.43 -0.33 0.00 1.25 0.00 0.66 1.00 119.26 123.27 1ug7 h ALA 46 Ca 0.37 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1ug7 h ALA 46 Cb 0.32 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ug7 h ALA 46 CO -0.23 -0.73 -0.17 0.00 0.00 0.00 0.00 179.25 178.11 1ug7 h ARG 47 N -0.38 0.00 -0.11 0.00 -0.00 0.81 -2.27 114.38 112.43 1ug7 h ARG 47 Ca 0.04 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.34 1ug7 h ARG 47 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.41 1ug7 h ARG 47 CO -0.15 0.17 -0.64 0.45 0.00 0.00 0.00 179.97 179.80 1ug7 h HIS 48 N 0.00 0.85 -0.03 3.04 3.86 0.17 -2.99 115.15 120.06 1ug7 h HIS 48 Ca -0.00 -0.39 0.03 0.00 -1.16 0.00 0.00 60.37 58.86 1ug7 h HIS 48 Cb 0.37 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.66 1ug7 h HIS 48 CO 0.00 1.19 -0.25 -0.07 0.86 0.00 0.00 177.93 179.66 1ug7 h LEU 49 N 0.27 -0.75 -0.73 2.43 3.38 0.15 -1.39 115.31 118.67 1ug7 h LEU 49 Ca -0.05 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.18 1ug7 h LEU 49 Cb 1.28 0.31 -0.10 0.00 0.09 0.00 0.00 40.66 42.24 1ug7 h LEU 49 CO 0.13 -0.32 0.21 1.56 0.09 0.00 0.00 178.44 180.11 1ug7 h GLN 50 N -0.37 0.30 -1.85 1.13 4.20 -1.53 0.38 115.11 117.38 1ug7 h GLN 50 Ca 0.07 -0.02 0.55 0.00 0.06 0.00 0.00 58.65 59.31 1ug7 h GLN 50 Cb 0.47 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.10 1ug7 h GLN 50 CO -0.24 0.20 1.31 1.17 -0.67 0.00 0.00 178.83 180.60 1ug7 n LYS 51 N -5.12 -0.01 -0.07 1.46 3.00 -0.53 0.17 118.16 117.07 1ug7 n LYS 51 Ca 0.14 1.10 -0.19 0.00 -0.00 0.00 0.00 58.31 59.36 1ug7 n LYS 51 Cb 0.44 -2.46 -0.13 0.00 0.00 0.00 0.00 35.03 32.88 1ug7 n LYS 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ug7 n GLU 52 N -4.03 0.70 0.49 1.64 -0.58 0.12 -3.05 120.64 115.93 1ug7 n GLU 52 Ca 0.43 0.19 -0.19 0.00 -0.42 0.00 0.00 57.16 57.17 1ug7 n GLU 52 Cb 1.91 -1.61 -0.09 0.00 -0.57 0.00 0.00 31.44 31.08 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 0.10 -1.26 -1.00 0.62 0.00 0.29 -3.11 119.26 114.90 1ug7 h ALA 53 Ca -0.51 -0.28 -0.70 0.00 0.00 0.00 0.00 54.91 53.43 1ug7 h ALA 53 Cb 1.97 0.49 -0.29 0.00 0.00 0.00 0.00 17.79 19.96 1ug7 h ALA 53 CO -0.01 -1.17 0.82 0.00 0.00 0.00 0.00 179.25 178.90 1ug7 n GLN 54 N -5.61 2.77 -1.52 0.00 10.64 0.33 -4.93 117.38 119.07 1ug7 n GLN 54 Ca -0.16 -3.43 -0.31 0.00 -1.83 0.00 0.00 57.00 51.27 1ug7 n GLN 54 Cb 0.50 -2.28 -0.14 0.00 -0.86 0.00 0.00 30.24 27.46 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 -0.78 0.63 -0.62 2.61 0.00 -1.17 -4.65 120.51 116.53 1ug7 n ALA 55 Ca 0.59 -0.72 0.49 0.00 0.00 0.00 0.00 53.44 53.80 1ug7 n ALA 55 Cb 0.54 -2.63 0.75 0.00 0.00 0.00 0.00 19.45 18.10 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 7.80 0.00 -3.62 0.00 7.27 -1.26 -3.37 117.38 124.20 1ug7 n GLN 56 Ca 0.58 1.06 -0.40 0.00 0.07 0.00 0.00 57.00 58.32 1ug7 n GLN 56 Cb 0.22 -2.49 -0.11 0.00 2.41 0.00 0.00 30.24 30.26 1ug7 n GLN 56 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1ug7 s HIS 57 N -4.76 3.25 0.00 3.69 2.46 -1.26 -4.89 115.29 113.78 1ug7 s HIS 57 Ca -0.05 -1.09 0.00 0.00 0.47 0.00 0.00 55.06 54.40 1ug7 s HIS 57 Cb 0.24 -2.47 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 1ug7 s HIS 57 CO 0.81 -0.68 0.00 0.09 -2.47 0.00 0.00 174.74 172.49 1ug7 n ASN 58 N 4.97 0.00 0.00 9.88 3.02 -1.22 -3.15 115.26 128.76 1ug7 n ASN 58 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1ug7 n ASN 58 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ug7 n ASN 59 N 2.63 0.00 -0.21 6.41 3.02 -1.22 -4.81 115.26 121.08 1ug7 n ASN 59 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ug7 n ASN 59 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ug7 n ASN 59 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ug7 n SER 60 N 0.00 -3.47 -1.00 6.41 3.41 -1.19 -3.88 113.62 113.89 1ug7 n SER 60 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1ug7 n SER 60 Cb 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.42 2.56 -3.49 4.33 1.02 -1.26 -4.97 120.64 118.41 1ug7 n GLU 61 Ca 0.00 -2.26 -0.31 0.00 -0.02 0.00 0.00 57.16 54.56 1ug7 n GLU 61 Cb 0.00 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 29.94 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ug7 s PHE 62 N -1.10 3.44 0.57 -0.32 0.08 -1.25 -4.80 117.98 114.60 1ug7 s PHE 62 Ca 0.35 0.75 -0.14 0.00 0.12 0.00 0.00 56.93 58.01 1ug7 s PHE 62 Cb 0.19 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1ug7 s PHE 62 CO 0.26 0.31 1.02 -0.08 -0.10 0.00 0.00 175.22 176.62 1ug7 s THR 63 N -1.79 4.42 0.19 0.64 -1.32 -1.26 -4.65 115.64 111.87 1ug7 s THR 63 Ca 0.45 1.02 -0.19 0.00 -1.21 0.00 0.00 61.69 61.76 1ug7 s THR 63 Cb -0.11 -3.68 0.13 0.00 -1.51 0.00 0.00 72.50 67.33 1ug7 s THR 63 CO 0.23 -0.80 1.38 -0.62 -2.21 0.00 0.00 174.62 172.60 1ug7 n GLU 64 N -2.10 -0.26 -0.13 7.08 1.02 -1.26 0.77 120.64 125.76 1ug7 n GLU 64 Ca 0.07 1.37 -0.06 0.00 -0.02 0.00 0.00 57.16 58.52 1ug7 n GLU 64 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 -0.17 0.40 3.49 5.08 -1.96 1.28 114.58 122.70 1ug7 h GLU 65 Ca 0.26 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1ug7 h GLU 65 Cb 0.48 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ug7 h GLU 65 CO -0.87 -0.11 -0.35 1.96 -1.00 0.00 0.00 179.01 178.64 1ug7 h GLN 66 N -0.17 -0.70 0.00 2.33 4.20 0.02 0.29 115.11 121.08 1ug7 h GLN 66 Ca 0.20 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1ug7 h GLN 66 Cb 0.48 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1ug7 h GLN 66 CO -0.52 -0.47 0.17 1.57 -0.67 0.00 0.00 178.83 178.91 1ug7 h LYS 67 N -0.73 0.00 0.00 1.46 2.10 -0.25 0.96 116.57 120.10 1ug7 h LYS 67 Ca -0.05 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.39 1ug7 h LYS 67 Cb 0.62 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.92 1ug7 h LYS 67 CO -0.01 0.00 -1.03 -0.22 -2.00 0.00 0.00 179.45 176.19 1ug7 h LYS 68 N 0.00 0.00 0.06 0.07 1.63 0.35 -3.26 116.57 115.42 1ug7 h LYS 68 Ca 0.00 -0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.53 1ug7 h LYS 68 Cb 0.34 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1ug7 h LYS 68 CO 0.00 0.98 -1.41 1.15 -3.45 0.00 0.00 179.45 176.72 1ug7 h THR 69 N 0.00 0.92 -0.94 1.00 2.02 0.41 -3.34 112.91 112.98 1ug7 h THR 69 Ca -0.02 -2.29 0.12 0.00 0.77 0.00 0.00 66.41 64.99 1ug7 h THR 69 Cb 1.78 2.48 -0.14 0.00 -1.74 0.00 0.00 68.15 70.54 1ug7 h THR 69 CO 0.13 0.57 -0.49 0.40 0.37 0.00 0.00 175.52 176.50 1ug7 h ILE 70 N -0.56 0.01 -0.44 3.11 2.04 0.02 0.36 117.51 122.05 1ug7 h ILE 70 Ca -0.34 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.61 1ug7 h ILE 70 Cb 1.59 0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 37.58 1ug7 h ILE 70 CO -0.06 0.00 -0.25 1.23 0.00 0.00 0.00 178.15 179.07 1ug7 h GLY 71 N -0.03 -0.01 -0.54 5.37 0.00 -1.74 -0.31 103.07 105.81 1ug7 h GLY 71 Ca 0.24 0.32 0.13 0.00 0.00 0.00 0.00 47.33 48.03 1ug7 h GLY 71 CO -0.93 -0.21 -0.27 0.50 0.00 0.00 0.00 176.54 175.63 1ug7 h LYS 72 N -0.16 -0.06 -0.47 4.80 1.57 -0.45 0.39 116.57 122.17 1ug7 h LYS 72 Ca 0.21 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.08 1ug7 h LYS 72 Cb 0.49 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.71 1ug7 h LYS 72 CO -0.54 -0.04 -0.26 0.82 -0.57 0.00 0.00 179.45 178.86 1ug7 h ILE 73 N -0.07 0.30 0.13 1.86 2.04 -0.09 -0.87 117.51 120.82 1ug7 h ILE 73 Ca 0.31 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.19 1ug7 h ILE 73 Cb 0.56 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1ug7 h ILE 73 CO -0.77 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 176.98 1ug7 h ALA 74 N 1.08 -0.71 -0.72 1.87 0.00 0.13 -2.56 119.26 118.34 1ug7 h ALA 74 Ca 0.22 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1ug7 h ALA 74 Cb 0.50 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1ug7 h ALA 74 CO -0.57 -0.96 -0.43 2.41 0.00 0.00 0.00 179.25 179.70 1ug7 n THR 75 N -5.46 -0.49 -0.32 0.00 -1.04 0.13 0.15 114.28 107.25 1ug7 n THR 75 Ca -0.07 1.97 0.04 0.00 -2.04 0.00 0.00 64.05 63.94 1ug7 n THR 75 Cb 0.37 -2.45 0.11 0.00 -1.82 0.00 0.00 70.33 66.55 1ug7 n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 h LEU 77 N -0.00 -0.77 -1.88 0.00 3.38 0.17 1.89 115.31 118.10 1ug7 h LEU 77 Ca 0.43 0.23 0.25 0.00 0.09 0.00 0.00 57.88 58.89 1ug7 h LEU 77 Cb 0.66 0.49 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1ug7 h LEU 77 CO -0.93 -0.26 0.74 -0.33 0.09 0.00 0.00 178.44 177.74 1ug7 h GLU 78 N -0.01 0.00 0.09 1.13 5.08 0.18 0.19 114.58 121.24 1ug7 h GLU 78 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 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 -0.79 0.00 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.11 1ug7 h LEU 79 N 0.00 -0.10 -0.08 1.33 4.07 0.31 -3.02 115.31 117.82 1ug7 h LEU 79 Ca 0.42 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.39 1ug7 h LEU 79 Cb 1.88 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.63 1ug7 h LEU 79 CO -0.00 0.37 -0.11 -0.09 -1.08 0.00 0.00 178.44 177.52 1ug7 h ARG 80 N -1.00 -0.08 0.00 1.13 9.65 -0.14 0.73 114.38 124.67 1ug7 h ARG 80 Ca -0.01 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1ug7 h ARG 80 Cb 0.09 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1ug7 h ARG 80 CO 0.02 -0.05 0.00 -1.13 2.80 0.00 0.00 179.97 181.61 1ug7 n SER 81 N -3.25 0.00 -0.33 -3.80 3.41 -0.09 0.62 113.62 110.19 1ug7 n SER 81 Ca -0.01 0.96 0.25 0.00 -0.26 0.00 0.00 58.87 59.81 1ug7 n SER 81 Cb 0.07 -0.46 0.48 0.00 -0.26 0.00 0.00 64.21 64.04 1ug7 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ug7 h ALA 82 N -1.14 1.89 -0.48 7.33 0.00 -1.37 0.68 119.26 126.17 1ug7 h ALA 82 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1ug7 h ALA 82 Cb 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1ug7 h ALA 82 CO 0.00 -0.73 -0.34 0.00 0.00 0.00 0.00 179.25 178.18 1ug7 h ALA 83 N 1.92 -0.16 0.50 0.00 0.00 0.61 1.95 119.26 124.09 1ug7 h ALA 83 Ca 0.75 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.77 1ug7 h ALA 83 Cb 1.81 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 20.35 1ug7 h ALA 83 CO -0.72 -0.72 -0.48 -0.07 0.00 0.00 0.00 179.25 177.26 1ug7 h LEU 84 N -0.22 -1.31 -0.49 0.00 -0.00 0.12 -2.62 115.31 110.79 1ug7 h LEU 84 Ca 0.19 0.10 0.10 0.00 -0.00 0.00 0.00 57.88 58.27 1ug7 h LEU 84 Cb 0.55 0.43 -0.09 0.00 -0.00 0.00 0.00 40.66 41.54 1ug7 h LEU 84 CO -0.60 -0.64 -0.11 1.56 -0.00 0.00 0.00 178.44 178.64 1ug7 h GLN 85 N -0.98 0.01 -5.52 1.13 4.20 -0.85 -3.42 115.11 109.68 1ug7 h GLN 85 Ca -0.06 -0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.03 1ug7 h GLN 85 Cb 0.84 -0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.72 1ug7 h GLN 85 CO -0.05 0.00 -0.54 0.43 -0.67 0.00 0.00 178.83 178.01 1ug7 n SER 86 N -5.35 -1.34 -4.94 1.46 7.64 0.65 -4.93 113.62 106.82 1ug7 n SER 86 Ca 0.04 1.00 -0.24 0.00 1.01 0.00 0.00 58.87 60.69 1ug7 n SER 86 Cb 0.26 -0.87 0.03 0.00 -1.01 0.00 0.00 64.21 62.62 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 -1.00 3.51 0.00 0.44 2.01 -1.26 -4.49 115.64 114.85 1ug7 s THR 87 Ca 0.58 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1ug7 s THR 87 Cb -0.82 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1ug7 s THR 87 CO 0.52 -0.29 0.00 0.00 -0.69 0.00 0.00 174.62 174.16 1ug7 n GLN 88 N -2.36 0.00 0.00 4.92 6.02 -1.26 -4.06 117.38 120.63 1ug7 n GLN 88 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1ug7 n GLN 88 Cb 0.58 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.84 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 1.97 0.00 0.00 1.08 2.88 -1.26 -5.06 113.62 113.23 1ug7 n SER 89 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ug7 n SER 89 Cb 0.00 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1ug7 n SER 89 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ug7 n GLN 90 N -1.05 0.00 -2.96 -1.46 -0.06 -1.26 -4.74 117.38 105.85 1ug7 n GLN 90 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 1ug7 n GLN 90 Cb 0.00 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.19 1ug7 n GLN 90 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1ug7 n GLU 91 N 0.00 -2.15 0.00 3.69 2.13 -1.26 -4.87 120.64 118.18 1ug7 n GLU 91 Ca 0.00 1.93 0.16 0.00 0.66 0.00 0.00 57.16 59.91 1ug7 n GLU 91 Cb 0.00 -5.31 0.86 0.00 0.27 0.00 0.00 31.44 27.27 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ug7 n GLU 92 N -0.59 1.11 -3.15 5.31 1.02 -1.26 -4.65 120.64 118.43 1ug7 n GLU 92 Ca 0.07 -0.18 0.06 0.00 -0.02 0.00 0.00 57.16 57.09 1ug7 n GLU 92 Cb 0.49 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ug7 s PHE 93 N -2.02 -0.10 0.07 -0.32 5.36 -1.26 -4.59 117.98 115.12 1ug7 s PHE 93 Ca 0.46 0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 56.50 1ug7 s PHE 93 Cb 0.22 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.94 1ug7 s PHE 93 CO 0.37 -0.05 0.05 0.36 -1.46 0.00 0.00 175.22 174.48 1ug7 n LYS 94 N 5.30 -1.83 -0.07 10.12 2.85 -1.26 -4.44 118.16 128.83 1ug7 n LYS 94 Ca -0.01 -0.08 -0.07 0.00 -1.05 0.00 0.00 58.31 57.10 1ug7 n LYS 94 Cb 0.56 -0.09 -0.04 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 -1.41 -5.58 3.38 -2.02 -2.84 115.31 106.85 1ug7 h LEU 95 Ca -0.02 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 57.86 1ug7 h LEU 95 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ug7 h LEU 95 CO 0.01 0.80 0.73 1.05 0.09 0.00 0.00 178.44 181.13 1ug7 h GLU 96 N -1.00 0.00 0.13 1.13 4.11 -1.97 1.69 114.58 118.68 1ug7 h GLU 96 Ca -0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.05 1ug7 h GLU 96 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ug7 h GLU 96 CO -0.03 0.00 -1.71 -0.44 0.07 0.00 0.00 179.01 176.90 1ug7 h ASP 97 N 0.00 0.45 -0.07 3.06 5.19 -1.93 -3.14 116.42 119.98 1ug7 h ASP 97 Ca 0.21 -0.72 -0.04 0.00 -0.62 0.00 0.00 57.03 55.86 1ug7 h ASP 97 Cb 1.67 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 41.03 1ug7 h ASP 97 CO -0.00 1.61 -0.11 0.25 -3.12 0.00 0.00 179.24 177.87 1ug7 h LEU 98 N 0.08 0.21 -1.22 1.55 5.85 0.23 -2.63 115.31 119.38 1ug7 h LEU 98 Ca -0.32 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1ug7 h LEU 98 Cb 2.05 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.02 1ug7 h LEU 98 CO 0.15 0.71 0.00 1.17 -0.34 0.00 0.00 178.44 180.12 1ug7 n LYS 99 N -4.66 0.15 0.00 1.25 3.00 0.27 -0.09 118.16 118.07 1ug7 n LYS 99 Ca -0.08 0.59 0.13 0.00 -0.00 0.00 0.00 58.31 58.95 1ug7 n LYS 99 Cb 0.34 -1.92 0.71 0.00 0.00 0.00 0.00 35.03 34.16 1ug7 n LYS 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ug7 n LYS 100 N -2.22 0.62 0.00 1.64 5.02 -0.99 -1.81 118.16 120.42 1ug7 n LYS 100 Ca -0.01 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.40 1ug7 n LYS 100 Cb 0.07 -1.50 0.05 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 -1.12 2.33 0.10 -0.35 4.77 0.87 -4.15 117.00 119.45 1ug7 n LEU 101 Ca 0.16 -0.92 -0.13 0.00 -0.03 0.00 0.00 56.01 55.09 1ug7 n LEU 101 Cb 0.13 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1ug7 n LEU 101 CO 0.16 0.41 0.63 -0.08 -1.33 0.00 0.00 177.39 177.19 1ug7 h GLU 102 N 3.21 -0.23 0.00 3.23 4.81 -1.47 -1.89 114.58 122.24 1ug7 h GLU 102 Ca 0.00 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 1ug7 h GLU 102 Cb 0.75 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1ug7 h GLU 102 CO 0.00 0.07 -0.71 -1.00 -0.73 0.00 0.00 179.01 176.64 1ug7 h PRO 103 N -0.55 0.00 -0.23 0.92 0.13 -1.78 -0.70 132.00 129.80 1ug7 h PRO 103 Ca -0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1ug7 h PRO 103 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1ug7 h PRO 103 CO 0.04 0.71 -0.01 0.82 -0.23 0.00 0.00 178.00 179.33 1ug7 h ILE 104 N 0.00 1.15 0.10 -3.56 2.04 -1.71 1.35 117.51 116.89 1ug7 h ILE 104 Ca -0.01 -0.61 -0.32 0.00 1.00 0.00 0.00 64.86 64.92 1ug7 h ILE 104 Cb 1.30 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1ug7 h ILE 104 CO 0.09 0.20 -1.70 -0.07 0.00 0.00 0.00 178.15 176.67 1ug7 h LEU 105 N 0.34 0.33 -0.33 1.44 3.38 -1.21 -2.10 115.31 117.16 1ug7 h LEU 105 Ca 0.08 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1ug7 h LEU 105 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ug7 h LEU 105 CO 0.01 1.49 -0.17 0.11 0.09 0.00 0.00 178.44 179.97 1ug7 h LYS 106 N 0.06 0.70 -0.83 1.13 1.57 -0.65 -2.83 116.57 115.72 1ug7 h LYS 106 Ca -0.31 -0.31 -0.37 0.00 -1.87 0.00 0.00 60.65 57.79 1ug7 h LYS 106 Cb 2.02 -0.02 -0.22 0.00 0.08 0.00 0.00 32.23 34.10 1ug7 h LYS 106 CO 0.13 0.91 0.43 0.09 -0.57 0.00 0.00 179.45 180.45 1ug7 n ASN 107 N -4.33 4.01 -0.29 0.86 3.02 0.46 -4.62 115.26 114.36 1ug7 n ASN 107 Ca -0.03 -3.48 0.10 0.00 -0.03 0.00 0.00 54.58 51.14 1ug7 n ASN 107 Cb 0.40 -0.78 0.23 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.61 0.25 0.35 2.41 1.08 -1.11 2.08 117.51 124.17 1ug7 h ILE 108 Ca 0.45 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.88 1ug7 h ILE 108 Cb 2.54 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1ug7 h ILE 108 CO 0.89 0.02 -0.33 -0.07 -0.69 0.00 0.00 178.15 177.97 1ug7 h LEU 109 N 0.11 -0.90 -5.61 1.44 3.38 -1.85 -3.16 115.31 108.72 1ug7 h LEU 109 Ca 0.50 0.07 -0.72 0.00 0.09 0.00 0.00 57.88 57.82 1ug7 h LEU 109 Cb 0.95 0.29 -0.33 0.00 0.09 0.00 0.00 40.66 41.67 1ug7 h LEU 109 CO -0.73 -0.44 0.40 1.07 0.09 0.00 0.00 178.44 178.83 1ug7 n THR 110 N -4.38 4.51 0.01 0.22 5.66 -0.11 -4.60 114.28 115.59 1ug7 n THR 110 Ca -0.08 -5.51 0.08 0.00 -3.05 0.00 0.00 64.05 55.49 1ug7 n THR 110 Cb 0.30 -1.43 -0.13 0.00 -1.55 0.00 0.00 70.33 67.52 1ug7 n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ug7 n TYR 111 N -0.23 0.25 -1.83 1.09 4.19 0.69 -4.88 117.16 116.44 1ug7 n TYR 111 Ca 0.43 0.07 0.00 0.00 3.31 0.00 0.00 57.90 61.71 1ug7 n TYR 111 Cb 0.33 -0.68 0.00 0.00 0.49 0.00 0.00 39.34 39.48 1ug7 n TYR 111 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ug7 n ASN 112 N -2.43 -8.74 -3.44 2.98 3.02 -1.26 -4.96 115.26 100.43 1ug7 n ASN 112 Ca -0.06 1.26 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 1ug7 n ASN 112 Cb 0.64 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ug7 n LYS 113 N 1.01 0.15 -1.94 3.52 4.01 -1.26 -4.71 118.16 118.94 1ug7 n LYS 113 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ug7 n LYS 113 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1ug7 n GLU 114 N -0.71 0.00 -1.21 1.97 0.00 -1.26 -4.97 120.64 114.46 1ug7 n GLU 114 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 1ug7 n GLU 114 Cb 0.00 -2.17 -0.01 0.00 0.00 0.00 0.00 31.44 29.26 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ug7 n PHE 115 N -1.47 -1.18 0.79 4.31 7.35 -1.26 -4.79 117.46 121.22 1ug7 n PHE 115 Ca 0.00 0.71 0.11 0.00 -0.76 0.00 0.00 57.45 57.51 1ug7 n PHE 115 Cb 0.43 -1.68 0.48 0.00 0.35 0.00 0.00 39.48 39.07 1ug7 n PHE 115 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ug7 n PRO 116 N 1.05 0.05 -4.34 -7.13 -0.04 -1.26 -4.78 135.00 118.54 1ug7 n PRO 116 Ca 0.13 0.12 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 1ug7 n PRO 116 Cb 0.29 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.94 1.64 -0.96 0.54 0.08 -1.26 -5.08 117.98 109.99 1ug7 s PHE 117 Ca 0.12 -0.73 -0.16 0.00 0.12 0.00 0.00 56.93 56.28 1ug7 s PHE 117 Cb 0.14 -0.87 0.17 0.00 -0.57 0.00 0.00 43.02 41.89 1ug7 s PHE 117 CO 0.39 0.18 1.09 -0.51 -0.10 0.00 0.00 175.22 176.27 1ug7 s ASP 118 N -3.31 6.77 -0.05 1.36 1.11 -1.26 -4.97 116.67 116.31 1ug7 s ASP 118 Ca 0.24 -2.45 0.02 0.00 0.18 0.00 0.00 52.55 50.55 1ug7 s ASP 118 Cb 0.03 -2.34 0.01 0.00 1.07 0.00 0.00 42.92 41.69 1ug7 s ASP 118 CO 0.07 -0.85 -0.10 0.68 1.18 0.00 0.00 175.17 176.16 1ug7 s VAL 119 N 1.66 0.91 0.29 -1.27 -7.23 -1.26 -5.11 120.40 108.40 1ug7 s VAL 119 Ca 0.31 -0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 59.84 1ug7 s VAL 119 Cb -0.06 -0.85 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 1ug7 s VAL 119 CO -0.08 0.30 0.95 -1.10 -0.31 0.00 0.00 175.10 174.87 1ug7 s GLN 120 N 0.68 4.67 0.50 4.82 -0.21 -1.26 -4.90 119.66 123.95 1ug7 s GLN 120 Ca -0.12 1.42 -0.20 0.00 0.02 0.00 0.00 55.36 56.48 1ug7 s GLN 120 Cb -0.15 -2.99 -0.08 0.00 1.00 0.00 0.00 33.01 30.79 1ug7 s GLN 120 CO 0.02 0.35 1.04 -1.25 -2.12 0.00 0.00 175.29 173.33 1ug7 s PRO 121 N -1.71 3.76 0.04 2.91 0.04 -1.26 -4.52 135.00 134.26 1ug7 s PRO 121 Ca 0.47 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 1ug7 s PRO 121 Cb -0.22 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1ug7 s PRO 121 CO 0.28 -0.46 0.79 0.42 0.04 0.00 0.00 177.00 178.07 1ug7 s ILE 122 N -2.04 4.73 -0.21 0.56 1.01 -1.26 -4.88 121.20 119.11 1ug7 s ILE 122 Ca 0.67 1.69 -0.18 0.00 0.00 0.00 0.00 60.65 62.82 1ug7 s ILE 122 Cb -0.16 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.22 1ug7 s ILE 122 CO 0.22 0.34 0.54 -0.44 0.00 0.00 0.00 174.94 175.60 1ug7 s SER 123 N 0.06 -0.58 0.00 3.58 0.01 -1.26 -4.79 113.70 110.72 1ug7 s SER 123 Ca 0.40 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1ug7 s SER 123 Cb -0.21 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.13 1ug7 s SER 123 CO 0.24 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1ug7 n GLY 124 N 2.89 6.13 3.37 3.44 0.00 -1.26 -5.03 105.19 114.73 1ug7 n GLY 124 Ca -0.14 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1ug7 n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug7 n PRO 125 N 0.00 2.34 0.01 1.61 -0.04 -1.26 -4.37 135.00 133.29 1ug7 n PRO 125 Ca 0.00 -2.67 -0.03 0.00 -0.04 0.00 0.00 63.50 60.76 1ug7 n PRO 125 Cb 0.00 -3.45 -0.01 0.00 -0.04 0.00 0.00 33.50 30.00 1ug7 n PRO 125 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ug7 n SER 126 N 9.87 1.20 0.25 3.54 7.64 -1.26 -4.81 113.62 130.06 1ug7 n SER 126 Ca 0.48 0.17 -0.17 0.00 1.01 0.00 0.00 58.87 60.37 1ug7 n SER 126 Cb 0.44 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 1ug7 n SER 126 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ug7 h SER 127 N -0.23 -1.12 0.00 6.43 0.02 -2.00 -3.53 113.55 113.12 1ug7 h SER 127 Ca -0.02 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ug7 h SER 127 Cb 0.35 0.37 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1ug7 h SER 127 CO -0.01 -0.57 0.00 0.61 -1.14 0.00 0.00 176.83 175.72