#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug7 n SER 2 N 0.00 1.74 -3.65 1.61 3.41 -1.26 -5.07 113.62 110.40 1ug7 n SER 2 Ca 0.00 0.29 -0.15 0.00 -0.26 0.00 0.00 58.87 58.75 1ug7 n SER 2 Cb 0.00 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.22 1ug7 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ug7 s SER 3 N -6.12 -0.55 0.00 4.04 0.01 -1.26 -5.15 113.70 104.67 1ug7 s SER 3 Ca -0.25 0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1ug7 s SER 3 Cb 0.05 0.85 0.00 0.00 0.21 0.00 0.00 66.02 67.12 1ug7 s SER 3 CO 0.35 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1ug7 n GLY 4 N 1.97 0.93 3.22 3.44 0.00 -1.26 -5.09 105.19 108.41 1ug7 n GLY 4 Ca -0.17 -2.21 0.04 0.00 0.00 0.00 0.00 46.02 43.69 1ug7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ug7 s SER 5 N 0.00 -0.27 0.07 1.61 1.04 -1.26 -4.77 113.70 110.11 1ug7 s SER 5 Ca 0.00 0.30 -0.31 0.00 0.48 0.00 0.00 55.95 56.42 1ug7 s SER 5 Cb 0.00 1.28 -0.15 0.00 0.10 0.00 0.00 66.02 67.25 1ug7 s SER 5 CO 0.00 -0.05 1.48 -1.28 0.98 0.00 0.00 173.24 174.36 1ug7 h SER 6 N 7.48 -1.15 0.00 7.02 0.87 -1.99 -3.43 113.55 122.35 1ug7 h SER 6 Ca -0.13 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1ug7 h SER 6 Cb 1.14 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1ug7 h SER 6 CO -0.00 -0.60 0.00 0.61 -0.53 0.00 0.00 176.83 176.31 1ug7 n GLY 7 N -1.50 0.06 2.69 5.77 0.00 -1.26 -5.06 105.19 105.90 1ug7 n GLY 7 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1ug7 n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ug7 n MET 8 N 0.00 0.43 0.00 1.61 3.85 -1.26 -5.06 117.12 116.69 1ug7 n MET 8 Ca 0.00 -1.14 0.00 0.00 -1.00 0.00 0.00 57.70 55.56 1ug7 n MET 8 Cb 0.00 -0.62 0.00 0.00 -1.05 0.00 0.00 33.22 31.55 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 1.07 0.00 0.00 3.17 7.64 -1.26 -3.81 113.62 120.43 1ug7 n SER 9 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1ug7 n SER 9 Cb 0.70 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 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 0.00 0.09 1.43 2.13 -1.26 -4.96 120.64 118.06 1ug7 n GLU 10 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1ug7 n GLU 10 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 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 1.30 -0.50 6.31 -1.51 -2.01 -3.22 116.25 116.62 1ug7 h VAL 11 Ca 0.00 -2.48 0.05 0.00 -1.23 0.00 0.00 66.70 63.04 1ug7 h VAL 11 Cb 0.00 2.66 -0.05 0.00 -2.13 0.00 0.00 31.29 31.77 1ug7 h VAL 11 CO 0.00 0.75 0.24 0.74 -1.23 0.00 0.00 177.57 178.07 1ug7 h THR 12 N 0.27 0.93 -1.00 7.19 2.02 -1.94 -1.09 112.91 119.30 1ug7 h THR 12 Ca -0.17 -0.16 0.11 0.00 0.77 0.00 0.00 66.41 66.96 1ug7 h THR 12 Cb 1.88 0.42 -0.08 0.00 -1.74 0.00 0.00 68.15 68.63 1ug7 h THR 12 CO 0.23 0.08 0.63 -0.09 0.37 0.00 0.00 175.52 176.75 1ug7 h ARG 13 N 0.46 0.98 0.00 6.66 1.12 -1.66 0.28 114.38 122.23 1ug7 h ARG 13 Ca 0.23 -0.06 -0.06 0.00 -1.11 0.00 0.00 59.98 58.98 1ug7 h ARG 13 Cb 0.16 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 1ug7 h ARG 13 CO -0.18 0.65 -0.28 1.03 -3.11 0.00 0.00 179.97 178.08 1ug7 h SER 14 N 1.01 0.00 0.08 -3.80 0.87 -1.24 -2.49 113.55 107.98 1ug7 h SER 14 Ca 0.49 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1ug7 h SER 14 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1ug7 h SER 14 CO -0.25 0.28 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.23 1ug7 h LEU 15 N 0.00 -0.09 -1.88 2.23 3.38 0.30 1.28 115.31 120.54 1ug7 h LEU 15 Ca -0.00 0.00 0.53 0.00 0.09 0.00 0.00 57.88 58.50 1ug7 h LEU 15 Cb 0.51 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1ug7 h LEU 15 CO 0.04 -0.02 1.38 -0.07 0.09 0.00 0.00 178.44 179.85 1ug7 h LEU 16 N -0.18 0.00 0.00 1.67 3.38 -1.22 1.06 115.31 120.02 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 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ug7 h LEU 16 CO 0.02 0.00 -0.06 -0.61 0.09 0.00 0.00 178.44 177.88 1ug7 h GLN 17 N 0.00 0.00 -1.35 1.13 4.15 -1.36 -2.92 115.11 114.76 1ug7 h GLN 17 Ca 0.87 0.00 0.41 0.00 0.77 0.00 0.00 58.65 60.70 1ug7 h GLN 17 Cb 3.61 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 31.20 1ug7 h GLN 17 CO -0.01 0.00 0.90 0.07 -1.93 0.00 0.00 178.83 177.86 1ug7 h ARG 18 N -0.19 0.11 0.34 1.69 -0.00 0.32 0.40 114.38 117.05 1ug7 h ARG 18 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 59.96 1ug7 h ARG 18 Cb 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.01 1ug7 h ARG 18 CO 0.00 0.08 -0.16 -1.49 -0.00 0.00 0.00 179.97 178.39 1ug7 h TRP 19 N 0.12 -0.43 -0.61 4.08 6.55 0.94 -1.90 115.95 124.71 1ug7 h TRP 19 Ca 0.75 -0.01 0.18 0.00 0.95 0.00 0.00 58.89 60.76 1ug7 h TRP 19 Cb 2.50 0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 30.92 1ug7 h TRP 19 CO -0.00 -0.26 0.69 0.78 -1.05 0.00 0.00 178.44 178.60 1ug7 h GLY 20 N -0.72 0.00 1.46 1.49 0.00 -0.56 1.28 103.07 106.03 1ug7 h GLY 20 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.06 1ug7 h GLY 20 CO 0.08 0.00 -0.89 0.00 0.00 0.00 0.00 176.54 175.73 1ug7 h ALA 21 N 1.18 0.38 0.70 3.60 0.00 -0.21 -2.19 119.26 122.72 1ug7 h ALA 21 Ca 0.29 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1ug7 h ALA 21 Cb 1.67 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.45 1ug7 h ALA 21 CO -0.00 0.77 -0.33 0.77 0.00 0.00 0.00 179.25 180.45 1ug7 h SER 22 N 0.30 -0.79 0.34 0.00 0.02 0.25 -1.66 113.55 112.01 1ug7 h SER 22 Ca -0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ug7 h SER 22 Cb 1.51 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 64.23 1ug7 h SER 22 CO 0.16 -0.49 -0.49 0.25 -1.14 0.00 0.00 176.83 175.12 1ug7 h LEU 23 N -1.06 -1.40 -0.94 5.07 5.85 -1.51 0.15 115.31 121.48 1ug7 h LEU 23 Ca -0.10 0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.88 1ug7 h LEU 23 Cb 0.74 0.49 -0.14 0.00 0.37 0.00 0.00 40.66 42.12 1ug7 h LEU 23 CO 0.16 -0.60 -0.41 0.54 -0.34 0.00 0.00 178.44 177.79 1ug7 n ARG 24 N -5.35 -0.27 -0.12 1.25 1.74 -0.82 0.95 116.66 114.04 1ug7 n ARG 24 Ca -0.10 1.43 -0.06 0.00 -0.77 0.00 0.00 57.85 58.35 1ug7 n ARG 24 Cb 0.42 -2.12 0.02 0.00 -1.02 0.00 0.00 32.46 29.76 1ug7 n ARG 24 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1ug7 h ARG 25 N 0.00 0.37 -1.14 5.56 2.43 -0.78 -1.02 114.38 119.80 1ug7 h ARG 25 Ca 0.28 -0.02 0.32 0.00 -0.81 0.00 0.00 59.98 59.75 1ug7 h ARG 25 Cb 0.52 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 1ug7 h ARG 25 CO -0.92 0.24 0.79 0.78 -1.51 0.00 0.00 179.97 179.35 1ug7 h GLY 26 N 0.38 0.51 1.61 2.80 0.00 0.35 1.14 103.07 109.87 1ug7 h GLY 26 Ca 0.17 -0.08 -0.22 0.00 0.00 0.00 0.00 47.33 47.20 1ug7 h GLY 26 CO -0.13 -0.07 -0.92 0.00 0.00 0.00 0.00 176.54 175.42 1ug7 h ALA 27 N 1.50 0.41 -0.25 3.60 0.00 0.10 -2.74 119.26 121.88 1ug7 h ALA 27 Ca 0.59 -0.71 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ug7 h ALA 27 Cb 2.00 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.69 1ug7 h ALA 27 CO -0.13 0.84 -0.24 0.22 0.00 0.00 0.00 179.25 179.94 1ug7 h ASP 28 N 0.20 -0.76 0.37 0.00 3.58 0.18 0.38 116.42 120.36 1ug7 h ASP 28 Ca -0.07 0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1ug7 h ASP 28 Cb 1.55 0.36 0.00 0.00 1.72 0.00 0.00 39.33 42.97 1ug7 h ASP 28 CO 0.15 -0.27 -0.18 -0.26 -2.88 0.00 0.00 179.24 175.80 1ug7 h PHE 29 N -0.24 -0.46 -0.31 0.28 0.04 -1.50 -2.42 116.94 112.33 1ug7 h PHE 29 Ca 0.14 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.94 1ug7 h PHE 29 Cb 0.45 0.15 -0.07 0.00 2.20 0.00 0.00 35.95 38.68 1ug7 h PHE 29 CO -0.39 -0.21 -0.51 0.22 -0.60 0.00 0.00 178.31 176.82 1ug7 h ASP 30 N -0.63 -1.69 0.00 2.17 1.82 -1.13 1.14 116.42 118.10 1ug7 h ASP 30 Ca -0.05 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1ug7 h ASP 30 Cb 0.46 0.68 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1ug7 h ASP 30 CO 0.08 -0.39 0.00 -1.20 -1.61 0.00 0.00 179.24 176.12 1ug7 n SER 31 N -5.17 0.00 0.00 2.28 7.64 0.13 -2.79 113.62 115.70 1ug7 n SER 31 Ca -0.04 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1ug7 n SER 31 Cb 0.32 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 -2.35 0.00 0.00 1.43 8.01 -0.92 -4.87 117.44 118.75 1ug7 n TRP 32 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1ug7 n TRP 32 Cb 0.00 -0.31 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 -0.93 0.00 2.64 6.99 0.00 0.31 -5.06 105.19 109.13 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 3.14 -0.39 1.61 6.02 0.31 -4.84 117.38 123.23 1ug7 n GLN 34 Ca 0.00 -4.05 -0.03 0.00 -0.01 0.00 0.00 57.00 52.90 1ug7 n GLN 34 Cb 0.00 -2.26 0.01 0.00 1.02 0.00 0.00 30.24 29.01 1ug7 n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ug7 n LEU 35 N -0.53 -0.75 0.00 1.08 4.77 -1.26 0.75 117.00 121.07 1ug7 n LEU 35 Ca 0.46 1.75 0.00 0.00 -0.03 0.00 0.00 56.01 58.19 1ug7 n LEU 35 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ug7 n LEU 35 CO 0.42 -1.54 0.44 0.55 -1.33 0.00 0.00 177.39 175.94 1ug7 n VAL 36 N -5.42 0.00 -0.25 4.08 3.14 -1.26 0.86 118.33 119.48 1ug7 n VAL 36 Ca 0.08 1.38 0.05 0.00 -2.96 0.00 0.00 64.34 62.90 1ug7 n VAL 36 Cb 0.37 -1.89 0.19 0.00 -1.06 0.00 0.00 33.84 31.44 1ug7 n VAL 36 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ug7 h GLU 37 N 0.00 0.36 -0.08 1.45 3.07 -1.58 -1.57 114.58 116.24 1ug7 h GLU 37 Ca 0.00 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1ug7 h GLU 37 Cb 0.00 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 1ug7 h GLU 37 CO 0.00 0.24 -0.32 0.00 -1.40 0.00 0.00 179.01 177.53 1ug7 h ALA 38 N 1.57 -0.70 -0.56 3.43 0.00 0.32 0.28 119.26 123.59 1ug7 h ALA 38 Ca 0.41 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.37 1ug7 h ALA 38 Cb 0.66 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 1ug7 h ALA 38 CO -0.44 -0.82 -0.46 0.82 0.00 0.00 0.00 179.25 178.35 1ug7 h ILE 39 N -0.34 0.07 -0.46 0.00 2.04 0.12 -0.92 117.51 118.03 1ug7 h ILE 39 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1ug7 h ILE 39 Cb 0.40 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1ug7 h ILE 39 CO -0.26 0.00 -0.29 0.44 0.00 0.00 0.00 178.15 178.05 1ug7 h ASP 40 N -0.25 -1.05 -0.14 1.72 5.19 -0.51 0.45 116.42 121.84 1ug7 h ASP 40 Ca 0.16 0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.74 1ug7 h ASP 40 Cb 0.56 0.46 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1ug7 h ASP 40 CO -0.68 -0.12 -0.11 -0.08 -3.12 0.00 0.00 179.24 175.13 1ug7 h GLU 41 N -0.02 -0.04 -0.36 3.56 4.22 0.25 0.21 114.58 122.39 1ug7 h GLU 41 Ca 0.07 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.55 1ug7 h GLU 41 Cb 0.21 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1ug7 h GLU 41 CO -0.44 -0.03 -0.28 1.88 -2.18 0.00 0.00 179.01 177.97 1ug7 h TYR 42 N -0.04 -0.87 -0.24 0.92 0.05 -0.29 0.13 116.97 116.63 1ug7 h TYR 42 Ca 0.02 0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.88 1ug7 h TYR 42 Cb 0.10 0.43 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1ug7 h TYR 42 CO -0.77 -0.20 -0.17 1.96 -1.05 0.00 0.00 178.16 177.92 1ug7 h GLN 43 N -0.08 -0.04 -0.98 4.88 4.20 0.37 1.34 115.11 124.81 1ug7 h GLN 43 Ca 0.06 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.86 1ug7 h GLN 43 Cb 0.23 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 27.90 1ug7 h GLN 43 CO -0.38 -0.02 -0.58 0.82 -0.67 0.00 0.00 178.83 178.00 1ug7 h ILE 44 N -0.04 0.00 -1.01 2.54 5.03 0.01 1.59 117.51 125.64 1ug7 h ILE 44 Ca 0.04 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.92 1ug7 h ILE 44 Cb 0.14 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 33.84 1ug7 h ILE 44 CO -0.25 0.00 0.63 0.25 -0.68 0.00 0.00 178.15 178.10 1ug7 h LEU 45 N -0.02 0.89 -0.42 1.44 5.85 0.85 0.90 115.31 124.80 1ug7 h LEU 45 Ca 0.17 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1ug7 h LEU 45 Cb 0.43 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1ug7 h LEU 45 CO -0.93 0.43 0.20 0.00 -0.34 0.00 0.00 178.44 177.81 1ug7 h ALA 46 N 1.57 0.52 0.25 1.25 0.00 1.22 -0.58 119.26 123.49 1ug7 h ALA 46 Ca 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1ug7 h ALA 46 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ug7 h ALA 46 CO -0.30 -0.16 -0.15 0.00 0.00 0.00 0.00 179.25 178.64 1ug7 h ARG 47 N 0.41 -0.37 -0.50 0.00 3.08 0.22 -2.70 114.38 114.51 1ug7 h ARG 47 Ca 0.18 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.36 1ug7 h ARG 47 Cb 0.10 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.13 1ug7 h ARG 47 CO -0.13 -0.25 -0.19 0.45 -1.07 0.00 0.00 179.97 178.77 1ug7 h HIS 48 N -0.39 -0.47 -0.90 3.04 3.86 -0.75 0.28 115.15 119.83 1ug7 h HIS 48 Ca -0.02 0.05 0.25 0.00 -1.16 0.00 0.00 60.37 59.49 1ug7 h HIS 48 Cb 0.32 0.29 -0.15 0.00 1.06 0.00 0.00 27.41 28.92 1ug7 h HIS 48 CO -0.09 -0.28 0.22 -0.07 0.86 0.00 0.00 177.93 178.57 1ug7 h LEU 49 N -0.08 -0.06 -0.11 2.43 3.38 -0.80 0.49 115.31 120.56 1ug7 h LEU 49 Ca 0.24 0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.45 1ug7 h LEU 49 Cb 0.45 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1ug7 h LEU 49 CO -0.56 -0.21 -0.07 1.56 0.09 0.00 0.00 178.44 179.26 1ug7 h GLN 50 N 0.16 -0.06 -1.59 1.13 4.20 -0.20 0.32 115.11 119.07 1ug7 h GLN 50 Ca 0.58 0.00 0.46 0.00 0.06 0.00 0.00 58.65 59.75 1ug7 h GLN 50 Cb 1.20 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.93 1ug7 h GLN 50 CO -0.71 -0.04 1.25 -0.22 -0.67 0.00 0.00 178.83 178.44 1ug7 h LYS 51 N -0.07 0.00 0.03 1.46 1.63 0.44 1.85 116.57 121.91 1ug7 h LYS 51 Ca 0.07 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.50 1ug7 h LYS 51 Cb 0.16 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 1ug7 h LYS 51 CO -0.15 0.00 -2.21 0.39 -3.45 0.00 0.00 179.45 174.03 1ug7 n GLU 52 N -3.82 0.68 0.23 1.90 1.02 -0.08 -2.73 120.64 117.84 1ug7 n GLU 52 Ca 0.35 0.16 -0.11 0.00 -0.02 0.00 0.00 57.16 57.55 1ug7 n GLU 52 Cb 1.73 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 31.49 1ug7 n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ug7 h ALA 53 N 0.45 -0.63 -0.99 0.62 0.00 0.58 -3.31 119.26 115.98 1ug7 h ALA 53 Ca -0.48 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 53.60 1ug7 h ALA 53 Cb 2.04 0.24 -0.32 0.00 0.00 0.00 0.00 17.79 19.75 1ug7 h ALA 53 CO 0.01 -0.61 0.47 0.00 0.00 0.00 0.00 179.25 179.13 1ug7 n GLN 54 N -5.20 2.93 -1.53 0.00 10.64 0.51 -4.90 117.38 119.82 1ug7 n GLN 54 Ca -0.09 -3.59 -0.29 0.00 -1.83 0.00 0.00 57.00 51.20 1ug7 n GLN 54 Cb 0.27 -2.28 -0.10 0.00 -0.86 0.00 0.00 30.24 27.27 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 -0.77 0.61 -0.02 2.61 0.00 -1.11 -4.73 120.51 117.11 1ug7 n ALA 55 Ca 0.56 -0.87 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 1ug7 n ALA 55 Cb 0.64 -2.85 -0.00 0.00 0.00 0.00 0.00 19.45 17.23 1ug7 n ALA 55 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ug7 h GLN 56 N 14.59 0.00 0.23 0.00 -0.00 -1.90 -3.42 115.11 124.60 1ug7 h GLN 56 Ca -0.09 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1ug7 h GLN 56 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.64 1ug7 h GLN 56 CO 1.26 0.00 -0.37 1.25 0.00 0.00 0.00 178.83 180.97 1ug7 h HIS 57 N -0.25 -1.01 -1.74 3.99 2.76 -1.94 -3.43 115.15 113.53 1ug7 h HIS 57 Ca 0.00 0.02 -0.52 0.00 -2.20 0.00 0.00 60.37 57.67 1ug7 h HIS 57 Cb 0.11 0.41 -0.05 0.00 1.55 0.00 0.00 27.41 29.43 1ug7 h HIS 57 CO -0.05 -0.49 -0.47 0.54 -1.30 0.00 0.00 177.93 176.16 1ug7 s ASN 58 N -4.67 4.91 -0.40 3.26 4.22 -1.26 -5.10 114.94 115.91 1ug7 s ASN 58 Ca -0.16 -0.73 0.02 0.00 -2.14 0.00 0.00 52.86 49.85 1ug7 s ASN 58 Cb 0.07 -0.73 0.11 0.00 1.28 0.00 0.00 41.25 41.98 1ug7 s ASN 58 CO 0.63 -0.44 0.14 0.54 -2.04 0.00 0.00 177.10 175.94 1ug7 s ASN 59 N -3.97 4.86 0.78 3.54 2.20 -1.26 -4.47 114.94 116.62 1ug7 s ASN 59 Ca 0.42 -2.29 -0.17 0.00 -0.94 0.00 0.00 52.86 49.88 1ug7 s ASN 59 Cb -0.03 -1.70 -0.14 0.00 -2.00 0.00 0.00 41.25 37.38 1ug7 s ASN 59 CO 0.25 -0.40 -0.52 -1.54 -2.94 0.00 0.00 177.10 171.95 1ug7 n SER 60 N 4.13 -4.94 -1.46 3.54 3.41 -1.26 -4.78 113.62 112.25 1ug7 n SER 60 Ca 0.03 0.35 -0.04 0.00 -0.26 0.00 0.00 58.87 58.95 1ug7 n SER 60 Cb 0.40 -0.77 0.16 0.00 -0.26 0.00 0.00 64.21 63.75 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 2.04 2.43 -4.17 4.33 1.02 -1.26 -4.88 120.64 120.14 1ug7 n GLU 61 Ca 0.02 -1.68 -0.26 0.00 -0.02 0.00 0.00 57.16 55.21 1ug7 n GLU 61 Cb 0.51 -1.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.88 2.93 0.00 -0.32 0.40 -1.26 -5.12 117.98 112.73 1ug7 s PHE 62 Ca 0.30 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 1ug7 s PHE 62 Cb 0.24 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 42.37 1ug7 s PHE 62 CO 0.07 0.53 0.00 -2.37 0.70 0.00 0.00 175.22 174.15 1ug7 n THR 63 N -0.28 0.00 0.07 0.64 5.66 -1.26 -4.77 114.28 114.33 1ug7 n THR 63 Ca -0.09 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.69 1ug7 n THR 63 Cb 0.55 -1.24 -0.15 0.00 -1.55 0.00 0.00 70.33 67.95 1ug7 n THR 63 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1ug7 h GLU 64 N 0.00 0.37 0.00 1.09 5.08 -2.00 -2.60 114.58 116.52 1ug7 h GLU 64 Ca 0.00 -0.63 -0.01 0.00 -1.00 0.00 0.00 59.36 57.72 1ug7 h GLU 64 Cb 0.00 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ug7 h GLU 64 CO 0.00 1.30 -0.06 1.05 -1.00 0.00 0.00 179.01 180.30 1ug7 h GLU 65 N -0.14 0.00 0.00 2.33 4.11 -2.00 -1.79 114.58 117.09 1ug7 h GLU 65 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1ug7 h GLU 65 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1ug7 h GLU 65 CO 0.17 0.06 -0.05 1.96 0.07 0.00 0.00 179.01 181.21 1ug7 h GLN 66 N 0.00 0.00 -0.95 1.06 4.20 -1.88 -3.32 115.11 114.22 1ug7 h GLN 66 Ca -0.00 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.01 1ug7 h GLN 66 Cb 0.29 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.91 1ug7 h GLN 66 CO 0.01 0.00 0.28 1.57 -0.67 0.00 0.00 178.83 180.01 1ug7 h LYS 67 N -0.41 0.11 -0.37 1.46 5.09 -1.47 0.16 116.57 121.14 1ug7 h LYS 67 Ca 0.00 -0.01 0.04 0.00 0.09 0.00 0.00 60.65 60.77 1ug7 h LYS 67 Cb 0.05 -0.02 -0.06 0.00 0.10 0.00 0.00 32.23 32.30 1ug7 h LYS 67 CO 0.00 0.07 -0.33 -0.22 -2.09 0.00 0.00 179.45 176.88 1ug7 h LYS 68 N 0.11 -0.14 -0.13 0.07 1.63 -1.47 0.14 116.57 116.78 1ug7 h LYS 68 Ca 0.65 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.50 1ug7 h LYS 68 Cb 1.47 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 33.09 1ug7 h LYS 68 CO -0.76 -0.09 -0.09 1.15 -3.45 0.00 0.00 179.45 176.21 1ug7 h THR 69 N -0.14 0.74 -0.99 1.00 2.02 -0.85 -0.95 112.91 113.73 1ug7 h THR 69 Ca 0.06 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.51 1ug7 h THR 69 Cb 0.30 0.74 -0.18 0.00 -1.74 0.00 0.00 68.15 67.27 1ug7 h THR 69 CO -0.42 0.00 0.01 0.40 0.37 0.00 0.00 175.52 175.87 1ug7 h ILE 70 N -0.09 0.01 -0.24 3.11 2.04 0.22 1.13 117.51 123.69 1ug7 h ILE 70 Ca 0.08 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 1ug7 h ILE 70 Cb 0.21 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1ug7 h ILE 70 CO -0.19 0.00 -0.19 1.23 0.00 0.00 0.00 178.15 179.01 1ug7 h GLY 71 N 0.00 0.60 1.25 5.37 0.00 0.15 -2.90 103.07 107.55 1ug7 h GLY 71 Ca 0.59 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1ug7 h GLY 71 CO -0.94 0.53 0.39 0.50 0.00 0.00 0.00 176.54 177.03 1ug7 h LYS 72 N 0.27 0.61 0.17 4.80 1.57 0.21 -1.33 116.57 122.87 1ug7 h LYS 72 Ca 0.05 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1ug7 h LYS 72 Cb 0.72 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1ug7 h LYS 72 CO 0.05 0.40 -0.20 0.82 -0.57 0.00 0.00 179.45 179.95 1ug7 h ILE 73 N 0.63 0.57 0.22 1.86 2.04 0.98 -1.95 117.51 121.85 1ug7 h ILE 73 Ca 0.25 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.11 1ug7 h ILE 73 Cb 0.18 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1ug7 h ILE 73 CO -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.79 1ug7 h ALA 74 N 0.36 -0.55 -0.93 1.87 0.00 -1.23 -2.31 119.26 116.47 1ug7 h ALA 74 Ca 0.01 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1ug7 h ALA 74 Cb 0.40 0.43 -0.16 0.00 0.00 0.00 0.00 17.79 18.46 1ug7 h ALA 74 CO -0.07 -0.85 -0.33 2.41 0.00 0.00 0.00 179.25 180.41 1ug7 n THR 75 N -5.40 -0.46 -0.11 0.00 -1.04 -0.58 0.18 114.28 106.86 1ug7 n THR 75 Ca -0.08 2.16 -0.05 0.00 -2.04 0.00 0.00 64.05 64.04 1ug7 n THR 75 Cb 0.31 -2.90 0.01 0.00 -1.82 0.00 0.00 70.33 65.93 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 0.02 -1.48 -1.47 0.00 3.38 0.23 1.15 115.31 117.13 1ug7 h LEU 77 Ca 0.18 0.22 0.26 0.00 0.09 0.00 0.00 57.88 58.63 1ug7 h LEU 77 Cb 0.27 0.65 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1ug7 h LEU 77 CO -0.37 -0.37 0.95 -0.33 0.09 0.00 0.00 178.44 178.41 1ug7 h GLU 78 N -0.32 0.00 0.00 1.13 5.08 -0.11 0.52 114.58 120.88 1ug7 h GLU 78 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1ug7 h GLU 78 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ug7 h GLU 78 CO -0.59 0.00 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.22 1ug7 h LEU 79 N 0.00 0.00 0.28 1.33 3.38 0.15 -3.06 115.31 117.40 1ug7 h LEU 79 Ca 0.42 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ug7 h LEU 79 Cb 2.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.06 1ug7 h LEU 79 CO -0.00 0.84 -0.23 -0.09 0.09 0.00 0.00 178.44 179.04 1ug7 h ARG 80 N -1.00 -0.48 -0.89 1.13 9.65 0.15 1.09 114.38 124.02 1ug7 h ARG 80 Ca -0.03 0.03 0.15 0.00 -1.10 0.00 0.00 59.98 59.03 1ug7 h ARG 80 Cb 0.62 0.11 -0.15 0.00 -1.39 0.00 0.00 29.97 29.16 1ug7 h ARG 80 CO -0.02 -0.32 -0.35 0.77 2.80 0.00 0.00 179.97 182.85 1ug7 h SER 81 N -0.50 -1.29 -0.07 -3.80 0.02 -0.78 0.54 113.55 107.66 1ug7 h SER 81 Ca -0.04 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1ug7 h SER 81 Cb 0.42 0.69 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ug7 h SER 81 CO -0.00 -0.29 0.04 0.00 -1.14 0.00 0.00 176.83 175.43 1ug7 h ALA 82 N 1.37 0.08 -1.05 3.77 0.00 -1.39 -1.20 119.26 120.84 1ug7 h ALA 82 Ca 0.33 -0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.53 1ug7 h ALA 82 Cb 0.60 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 1ug7 h ALA 82 CO -0.91 -0.43 0.65 0.00 0.00 0.00 0.00 179.25 178.56 1ug7 h ALA 83 N 1.03 2.11 -0.02 0.00 0.00 0.60 1.57 119.26 124.56 1ug7 h ALA 83 Ca 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ug7 h ALA 83 Cb -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ug7 h ALA 83 CO -0.01 -0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 178.57 1ug7 h LEU 84 N 0.42 0.05 0.04 0.00 3.38 0.51 -3.24 115.31 116.46 1ug7 h LEU 84 Ca 0.65 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ug7 h LEU 84 Cb 1.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1ug7 h LEU 84 CO -0.40 0.44 -0.02 1.56 0.09 0.00 0.00 178.44 180.12 1ug7 h GLN 85 N -0.35 -0.06 -6.05 1.13 4.20 0.78 -3.42 115.11 111.35 1ug7 h GLN 85 Ca 0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 58.00 1ug7 h GLN 85 Cb 0.43 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1ug7 h GLN 85 CO 0.00 0.08 1.20 0.45 -0.67 0.00 0.00 178.83 179.89 1ug7 n SER 86 N -5.05 1.99 0.02 1.46 2.88 0.50 -4.86 113.62 110.55 1ug7 n SER 86 Ca -0.08 0.72 -0.01 0.00 -1.33 0.00 0.00 58.87 58.18 1ug7 n SER 86 Cb 0.11 -1.15 -0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1ug7 n SER 86 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ug7 h THR 87 N 6.34 0.00 -0.97 2.46 2.02 -1.85 -3.43 112.91 117.48 1ug7 h THR 87 Ca -0.32 -0.05 -0.67 0.00 0.77 0.00 0.00 66.41 66.14 1ug7 h THR 87 Cb 1.34 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 67.85 1ug7 h THR 87 CO 1.01 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 176.47 1ug7 n GLN 88 N -2.28 0.00 -1.35 6.66 1.13 -1.26 -4.45 117.38 115.83 1ug7 n GLN 88 Ca -0.01 0.00 -0.49 0.00 -1.94 0.00 0.00 57.00 54.56 1ug7 n GLN 88 Cb 0.02 -1.04 -0.13 0.00 0.11 0.00 0.00 30.24 29.20 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ug7 n SER 89 N 1.87 0.50 -3.91 1.08 2.88 -1.26 -4.86 113.62 109.91 1ug7 n SER 89 Ca 0.18 0.41 -0.10 0.00 -1.33 0.00 0.00 58.87 58.03 1ug7 n SER 89 Cb 0.22 -0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 62.69 1ug7 n SER 89 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1ug7 s GLN 90 N 7.39 0.53 -0.49 -1.46 -0.21 -1.26 -5.10 119.66 119.05 1ug7 s GLN 90 Ca 1.25 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 56.07 1ug7 s GLN 90 Cb -1.34 0.21 0.24 0.00 1.00 0.00 0.00 33.01 33.11 1ug7 s GLN 90 CO 0.56 -0.13 0.88 -0.85 -2.12 0.00 0.00 175.29 173.63 1ug7 n GLU 91 N 1.08 0.74 0.00 2.91 0.00 -1.26 -4.96 120.64 119.15 1ug7 n GLU 91 Ca -0.21 -1.74 0.14 0.00 0.00 0.00 0.00 57.16 55.36 1ug7 n GLU 91 Cb 0.57 -1.44 0.82 0.00 0.00 0.00 0.00 31.44 31.38 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ug7 n GLU 92 N 1.78 0.78 0.00 3.44 1.02 -1.26 -4.54 120.64 121.86 1ug7 n GLU 92 Ca 0.10 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1ug7 n GLU 92 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ug7 n PHE 93 N -1.06 0.00 -0.05 -0.32 7.35 -1.26 -4.78 117.46 117.34 1ug7 n PHE 93 Ca 0.20 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.86 1ug7 n PHE 93 Cb 0.12 0.00 0.03 0.00 0.35 0.00 0.00 39.48 39.98 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 0.00 -1.13 -0.05 -4.13 2.85 -1.26 -4.41 118.16 110.02 1ug7 n LYS 94 Ca 0.00 -0.14 -0.01 0.00 -1.05 0.00 0.00 58.31 57.11 1ug7 n LYS 94 Cb 0.00 -0.22 -0.01 0.00 -0.65 0.00 0.00 35.03 34.15 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 -0.88 -5.58 5.85 -2.00 -3.23 115.31 109.47 1ug7 h LEU 95 Ca -0.04 -0.08 0.23 0.00 0.84 0.00 0.00 57.88 58.84 1ug7 h LEU 95 Cb 0.13 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.02 1ug7 h LEU 95 CO 0.02 0.56 0.24 1.05 -0.34 0.00 0.00 178.44 179.97 1ug7 h GLU 96 N -1.00 0.21 -0.73 1.25 4.11 -1.98 1.57 114.58 118.02 1ug7 h GLU 96 Ca -0.00 -0.01 0.12 0.00 0.07 0.00 0.00 59.36 59.53 1ug7 h GLU 96 Cb 0.11 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1ug7 h GLU 96 CO -0.00 0.14 0.48 -0.44 0.07 0.00 0.00 179.01 179.26 1ug7 h ASP 97 N 0.22 0.49 0.04 3.06 5.19 -1.92 0.94 116.42 124.43 1ug7 h ASP 97 Ca 0.55 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1ug7 h ASP 97 Cb 1.11 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1ug7 h ASP 97 CO -0.65 0.28 -0.02 0.25 -3.12 0.00 0.00 179.24 175.98 1ug7 h LEU 98 N 0.53 -0.04 -2.02 1.55 5.85 0.21 -3.04 115.31 118.35 1ug7 h LEU 98 Ca 0.35 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1ug7 h LEU 98 Cb 0.62 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1ug7 h LEU 98 CO -0.12 0.65 0.34 0.11 -0.34 0.00 0.00 178.44 179.09 1ug7 h LYS 99 N -0.78 0.00 0.00 1.25 6.56 0.16 1.34 116.57 125.10 1ug7 h LYS 99 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1ug7 h LYS 99 Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 1ug7 h LYS 99 CO 0.01 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.03 1ug7 n LYS 100 N -3.07 0.08 -0.01 3.15 4.76 0.24 -0.72 118.16 122.58 1ug7 n LYS 100 Ca -0.00 0.22 0.12 0.00 -2.87 0.00 0.00 58.31 55.78 1ug7 n LYS 100 Cb 0.42 -1.50 0.15 0.00 -1.84 0.00 0.00 35.03 32.26 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 -1.41 2.88 -0.04 -0.35 4.77 0.46 -3.88 117.00 119.43 1ug7 n LEU 101 Ca 0.05 -0.99 -0.14 0.00 -0.03 0.00 0.00 56.01 54.91 1ug7 n LEU 101 Cb 0.14 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1ug7 n LEU 101 CO 0.12 0.49 0.53 -0.08 -1.33 0.00 0.00 177.39 177.12 1ug7 h GLU 102 N 4.44 0.02 -0.02 3.23 4.81 -1.01 -2.97 114.58 123.08 1ug7 h GLU 102 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1ug7 h GLU 102 Cb 0.95 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.34 1ug7 h GLU 102 CO 0.00 0.71 -0.34 -1.00 -0.73 0.00 0.00 179.01 177.64 1ug7 h PRO 103 N -0.66 0.27 -0.98 0.92 0.13 -1.75 -2.89 132.00 127.05 1ug7 h PRO 103 Ca -0.00 -0.26 0.26 0.00 -0.87 0.00 0.00 66.00 65.13 1ug7 h PRO 103 Cb 0.71 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 31.78 1ug7 h PRO 103 CO 0.00 0.95 0.53 0.82 -0.23 0.00 0.00 178.00 180.08 1ug7 h ILE 104 N -0.31 0.44 -0.15 -3.56 2.04 -1.70 1.95 117.51 116.22 1ug7 h ILE 104 Ca -0.04 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 1ug7 h ILE 104 Cb 1.05 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1ug7 h ILE 104 CO 0.07 0.08 -0.45 -0.07 0.00 0.00 0.00 178.15 177.78 1ug7 h LEU 105 N 0.45 0.38 0.03 1.44 3.38 -1.53 0.86 115.31 120.31 1ug7 h LEU 105 Ca 0.65 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1ug7 h LEU 105 Cb 1.33 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ug7 h LEU 105 CO -0.54 0.78 -0.01 0.11 0.09 0.00 0.00 178.44 178.87 1ug7 h LYS 106 N 0.29 -0.03 -1.06 1.13 1.57 0.23 -3.15 116.57 115.55 1ug7 h LYS 106 Ca 0.02 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.53 1ug7 h LYS 106 Cb 0.91 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.07 1ug7 h LYS 106 CO 0.08 0.60 0.35 0.09 -0.57 0.00 0.00 179.45 180.00 1ug7 n ASN 107 N -4.79 3.79 -0.11 0.86 3.02 0.54 -4.37 115.26 114.22 1ug7 n ASN 107 Ca -0.09 -2.86 0.12 0.00 -0.03 0.00 0.00 54.58 51.71 1ug7 n ASN 107 Cb 0.32 -0.72 0.48 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.58 0.90 -0.14 2.41 1.08 -0.78 1.16 117.51 122.72 1ug7 h ILE 108 Ca 0.33 -0.16 -0.12 0.00 -0.39 0.00 0.00 64.86 64.52 1ug7 h ILE 108 Cb 1.83 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1ug7 h ILE 108 CO 0.60 0.08 -0.36 -0.07 -0.69 0.00 0.00 178.15 177.72 1ug7 h LEU 109 N 0.46 0.57 -5.06 1.44 3.38 -1.85 -3.31 115.31 110.94 1ug7 h LEU 109 Ca 0.29 -0.58 -0.64 0.00 0.09 0.00 0.00 57.88 57.05 1ug7 h LEU 109 Cb 0.54 -0.16 -0.38 0.00 0.09 0.00 0.00 40.66 40.74 1ug7 h LEU 109 CO -0.09 1.04 -0.27 1.07 0.09 0.00 0.00 178.44 180.29 1ug7 n THR 110 N -4.33 3.23 -4.39 0.22 5.66 -0.19 -5.02 114.28 109.46 1ug7 n THR 110 Ca -0.07 -5.22 -0.34 0.00 -3.05 0.00 0.00 64.05 55.37 1ug7 n THR 110 Cb 0.51 -1.35 -0.11 0.00 -1.55 0.00 0.00 70.33 67.84 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 -3.68 3.09 -0.26 1.09 5.04 0.38 -4.87 117.35 118.14 1ug7 s TYR 111 Ca 0.48 -0.02 -0.29 0.00 -2.44 0.00 0.00 57.07 54.80 1ug7 s TYR 111 Cb 0.34 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.78 1ug7 s TYR 111 CO -0.19 0.23 1.22 -0.80 -1.34 0.00 0.00 175.55 174.67 1ug7 s ASN 112 N -0.30 6.84 0.69 4.32 0.01 -1.26 -5.01 114.94 120.23 1ug7 s ASN 112 Ca 0.06 1.32 0.00 0.00 -0.71 0.00 0.00 52.86 53.53 1ug7 s ASN 112 Cb -0.12 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1ug7 s ASN 112 CO 0.02 -0.92 0.00 0.29 -1.51 0.00 0.00 177.10 174.99 1ug7 n LYS 113 N 6.94 -0.81 -2.60 -0.60 4.76 -1.26 -4.61 118.16 119.98 1ug7 n LYS 113 Ca 0.14 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1ug7 n LYS 113 Cb 0.46 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.68 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 -1.39 -1.29 -1.08 1.97 -0.58 -1.26 -4.90 120.64 112.11 1ug7 n GLU 114 Ca 0.00 0.73 -0.34 0.00 -0.42 0.00 0.00 57.16 57.12 1ug7 n GLU 114 Cb 0.00 -4.30 0.00 0.00 -0.57 0.00 0.00 31.44 26.57 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 -2.31 -2.10 0.18 -0.32 7.35 -1.26 -4.83 117.46 114.16 1ug7 n PHE 115 Ca -0.03 0.46 0.05 0.00 -0.76 0.00 0.00 57.45 57.17 1ug7 n PHE 115 Cb 0.56 -1.47 0.24 0.00 0.35 0.00 0.00 39.48 39.16 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 0.14 0.00 -6.28 -7.13 0.13 -1.93 -3.44 132.00 113.49 1ug7 h PRO 116 Ca -0.33 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.12 1ug7 h PRO 116 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.17 1ug7 h PRO 116 CO 0.38 0.39 -0.72 -0.06 -0.23 0.00 0.00 178.00 177.76 1ug7 s PHE 117 N -3.37 2.86 -0.93 1.56 0.08 -1.26 -5.04 117.98 111.88 1ug7 s PHE 117 Ca 0.02 -0.05 -0.24 0.00 0.12 0.00 0.00 56.93 56.77 1ug7 s PHE 117 Cb 0.09 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1ug7 s PHE 117 CO 0.70 0.33 1.84 -0.51 -0.10 0.00 0.00 175.22 177.49 1ug7 s ASP 118 N -1.20 5.42 -0.01 1.36 1.01 -1.26 -4.90 116.67 117.08 1ug7 s ASP 118 Ca 0.15 -0.83 0.03 0.00 0.71 0.00 0.00 52.55 52.60 1ug7 s ASP 118 Cb -0.11 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.26 1ug7 s ASP 118 CO 0.05 -2.49 -0.09 0.68 0.21 0.00 0.00 175.17 173.53 1ug7 s VAL 119 N 9.03 0.74 0.45 -1.27 -7.23 -1.26 -5.10 120.40 115.76 1ug7 s VAL 119 Ca 0.65 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 60.40 1ug7 s VAL 119 Cb -0.05 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1ug7 s VAL 119 CO -0.03 0.22 0.74 0.00 -0.31 0.00 0.00 175.10 175.73 1ug7 s GLN 120 N -0.05 3.57 0.33 4.82 -2.07 -1.26 -4.93 119.66 120.08 1ug7 s GLN 120 Ca 0.01 0.16 -0.27 0.00 -1.82 0.00 0.00 55.36 53.44 1ug7 s GLN 120 Cb -0.06 -2.43 -0.09 0.00 -1.09 0.00 0.00 33.01 29.35 1ug7 s GLN 120 CO -0.00 -0.12 1.07 -1.25 -1.32 0.00 0.00 175.29 173.67 1ug7 s PRO 121 N -4.52 4.43 0.47 9.60 0.04 -1.26 -4.35 135.00 139.41 1ug7 s PRO 121 Ca 0.47 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.93 1ug7 s PRO 121 Cb -0.10 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 1ug7 s PRO 121 CO 0.41 0.06 1.05 -0.89 0.04 0.00 0.00 177.00 177.68 1ug7 n ILE 122 N 0.63 2.80 -1.52 0.56 -0.00 -1.23 -4.78 119.36 115.81 1ug7 n ILE 122 Ca 0.02 -0.50 -0.54 0.00 -0.00 0.00 0.00 62.75 61.73 1ug7 n ILE 122 Cb 0.47 -1.24 -0.06 0.00 -0.00 0.00 0.00 39.64 38.81 1ug7 n ILE 122 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1ug7 n SER 123 N 0.10 0.47 -3.53 4.38 7.64 -1.26 -4.80 113.62 116.62 1ug7 n SER 123 Ca 0.10 1.14 -0.09 0.00 1.01 0.00 0.00 58.87 61.03 1ug7 n SER 123 Cb 0.42 -1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 1ug7 n SER 123 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ug7 s GLY 124 N -0.02 -0.40 0.64 0.23 0.00 -1.26 -4.47 107.32 102.04 1ug7 s GLY 124 Ca 0.83 1.33 -0.13 0.00 0.00 0.00 0.00 44.72 46.75 1ug7 s GLY 124 CO 0.54 0.55 1.05 2.56 0.00 0.00 0.00 173.10 177.80 1ug7 s PRO 125 N -2.49 3.16 0.16 2.90 0.04 -1.26 -4.80 135.00 132.71 1ug7 s PRO 125 Ca 0.03 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1ug7 s PRO 125 Cb -0.01 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ug7 s PRO 125 CO -0.05 -0.92 0.00 0.43 0.04 0.00 0.00 177.00 176.49 1ug7 n SER 126 N -2.57 -6.20 -3.16 6.66 7.64 -1.26 -5.05 113.62 109.68 1ug7 n SER 126 Ca 0.08 0.80 0.05 0.00 1.01 0.00 0.00 58.87 60.81 1ug7 n SER 126 Cb 0.53 -3.08 -0.02 0.00 -1.01 0.00 0.00 64.21 60.64 1ug7 n SER 126 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ug7 s SER 127 N -0.78 -0.71 0.00 6.43 0.01 -1.26 -5.19 113.70 112.19 1ug7 s SER 127 Ca 0.00 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1ug7 s SER 127 Cb 0.00 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.84 1ug7 s SER 127 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13