#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 -6.86 0.19 1.61 3.41 -1.26 -4.40 113.62 106.30 1ug7 n SER 2 Ca 0.00 0.90 -0.16 0.00 -0.26 0.00 0.00 58.87 59.35 1ug7 n SER 2 Cb 0.00 -4.14 -0.08 0.00 -0.26 0.00 0.00 64.21 59.73 1ug7 n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ug7 h SER 3 N -1.34 -1.28 0.00 4.04 0.87 -2.12 -3.48 113.55 110.24 1ug7 h SER 3 Ca -0.09 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1ug7 h SER 3 Cb 1.27 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1ug7 h SER 3 CO 0.04 -0.55 0.00 0.61 -0.53 0.00 0.00 176.83 176.40 1ug7 n GLY 4 N -1.50 2.45 3.51 5.77 0.00 -1.26 -5.06 105.19 109.10 1ug7 n GLY 4 Ca -0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -0.58 0.12 1.61 0.01 -1.26 -5.14 113.70 108.46 1ug7 s SER 5 Ca 0.00 0.84 -0.31 0.00 1.31 0.00 0.00 55.95 57.80 1ug7 s SER 5 Cb 0.00 1.51 -0.07 0.00 0.21 0.00 0.00 66.02 67.67 1ug7 s SER 5 CO 0.00 -0.12 1.31 -0.44 0.41 0.00 0.00 173.24 174.40 1ug7 s SER 6 N 2.04 6.92 0.00 2.44 0.01 -1.26 -5.01 113.70 118.85 1ug7 s SER 6 Ca -0.05 2.25 0.00 0.00 1.31 0.00 0.00 55.95 59.46 1ug7 s SER 6 Cb -0.05 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1ug7 s SER 6 CO -0.17 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1ug7 n GLY 7 N 3.11 1.01 2.49 3.44 0.00 -1.26 -4.80 105.19 109.18 1ug7 n GLY 7 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 4.28 -1.27 1.61 3.85 -1.26 -4.97 117.12 119.35 1ug7 n MET 8 Ca 0.00 -3.33 0.17 0.00 -1.00 0.00 0.00 57.70 53.54 1ug7 n MET 8 Cb 0.00 -2.54 -0.04 0.00 -1.05 0.00 0.00 33.22 29.58 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 1.51 -8.06 -0.10 3.17 7.64 -1.26 -2.47 113.62 114.05 1ug7 n SER 9 Ca 0.60 1.37 -0.13 0.00 1.01 0.00 0.00 58.87 61.71 1ug7 n SER 9 Cb 0.30 -3.86 -0.10 0.00 -1.01 0.00 0.00 64.21 59.53 1ug7 n SER 9 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ug7 n GLU 10 N -3.91 0.67 -0.04 1.43 0.28 -1.26 -4.06 120.64 113.74 1ug7 n GLU 10 Ca 0.01 0.10 -0.11 0.00 -0.16 0.00 0.00 57.16 56.99 1ug7 n GLU 10 Cb 0.58 -1.41 -0.10 0.00 1.43 0.00 0.00 31.44 31.94 1ug7 n GLU 10 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1ug7 h VAL 11 N 0.00 1.29 -0.54 3.84 2.07 -2.00 -3.02 116.25 117.88 1ug7 h VAL 11 Ca -0.45 -1.76 0.11 0.00 0.82 0.00 0.00 66.70 65.42 1ug7 h VAL 11 Cb 1.76 2.34 -0.09 0.00 -1.52 0.00 0.00 31.29 33.78 1ug7 h VAL 11 CO -0.05 0.40 -0.01 0.74 0.02 0.00 0.00 177.57 178.67 1ug7 h THR 12 N -0.91 0.56 0.10 2.57 2.02 -1.82 -1.31 112.91 114.12 1ug7 h THR 12 Ca -0.00 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ug7 h THR 12 Cb 0.69 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1ug7 h THR 12 CO 0.01 0.02 -0.43 -0.09 0.37 0.00 0.00 175.52 175.40 1ug7 h ARG 13 N 0.11 -0.63 -1.06 6.66 2.43 -1.59 0.31 114.38 120.61 1ug7 h ARG 13 Ca 0.27 0.04 0.29 0.00 -0.81 0.00 0.00 59.98 59.77 1ug7 h ARG 13 Cb 0.42 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 1ug7 h ARG 13 CO -0.46 -0.42 0.72 1.03 -1.51 0.00 0.00 179.97 179.33 1ug7 h SER 14 N -0.65 0.27 0.33 -3.80 0.87 -1.22 0.32 113.55 109.68 1ug7 h SER 14 Ca 0.02 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1ug7 h SER 14 Cb 0.68 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1ug7 h SER 14 CO -0.26 0.05 -0.16 -0.07 -0.53 0.00 0.00 176.83 175.86 1ug7 h LEU 15 N 0.24 -0.38 -2.12 2.23 3.38 0.21 1.48 115.31 120.35 1ug7 h LEU 15 Ca 0.57 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1ug7 h LEU 15 Cb 1.74 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1ug7 h LEU 15 CO -0.18 0.08 0.26 -0.07 0.09 0.00 0.00 178.44 178.62 1ug7 h LEU 16 N -0.99 0.00 0.00 1.67 3.38 0.14 0.52 115.31 120.03 1ug7 h LEU 16 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ug7 h LEU 16 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ug7 h LEU 16 CO 0.07 0.00 -0.67 1.67 0.09 0.00 0.00 178.44 179.61 1ug7 n GLN 17 N -2.87 0.48 -0.20 1.13 7.27 0.94 -3.44 117.38 120.69 1ug7 n GLN 17 Ca -0.02 0.42 0.23 0.00 0.07 0.00 0.00 57.00 57.70 1ug7 n GLN 17 Cb 0.31 -1.61 0.62 0.00 2.41 0.00 0.00 30.24 31.97 1ug7 n GLN 17 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 1ug7 h ARG 18 N -1.00 0.19 0.33 3.69 -0.00 0.26 0.88 114.38 118.73 1ug7 h ARG 18 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 59.95 1ug7 h ARG 18 Cb 0.67 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.60 1ug7 h ARG 18 CO 0.00 0.13 -0.16 -1.49 -0.00 0.00 0.00 179.97 178.45 1ug7 h TRP 19 N 0.20 -0.41 -0.79 4.08 6.55 -0.15 -2.61 115.95 122.82 1ug7 h TRP 19 Ca 0.43 -0.01 0.23 0.00 0.95 0.00 0.00 58.89 60.49 1ug7 h TRP 19 Cb 1.39 0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 29.79 1ug7 h TRP 19 CO -0.00 -0.25 0.78 0.78 -1.05 0.00 0.00 178.44 178.70 1ug7 h GLY 20 N -0.62 0.00 1.04 1.49 0.00 -1.34 1.01 103.07 104.65 1ug7 h GLY 20 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1ug7 h GLY 20 CO 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.49 1ug7 h ALA 21 N 1.18 0.63 0.58 3.60 0.00 -0.67 -0.94 119.26 123.65 1ug7 h ALA 21 Ca 0.37 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ug7 h ALA 21 Cb 1.93 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.56 1ug7 h ALA 21 CO -0.00 0.54 -0.28 0.77 0.00 0.00 0.00 179.25 180.28 1ug7 h SER 22 N 0.74 -0.68 -0.40 0.00 0.02 0.15 -1.28 113.55 112.09 1ug7 h SER 22 Ca 0.11 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 1ug7 h SER 22 Cb 0.68 0.18 -0.09 0.00 0.14 0.00 0.00 62.40 63.30 1ug7 h SER 22 CO 0.05 -0.48 -0.36 0.25 -1.14 0.00 0.00 176.83 175.15 1ug7 h LEU 23 N -0.79 -1.19 -0.85 5.07 5.85 -1.55 0.81 115.31 122.66 1ug7 h LEU 23 Ca -0.08 0.20 0.17 0.00 0.84 0.00 0.00 57.88 59.01 1ug7 h LEU 23 Cb 0.60 0.54 -0.16 0.00 0.37 0.00 0.00 40.66 42.02 1ug7 h LEU 23 CO 0.13 -0.34 -0.23 -0.09 -0.34 0.00 0.00 178.44 177.57 1ug7 h ARG 24 N -0.28 -0.01 -0.14 1.25 9.65 -1.11 0.24 114.38 123.99 1ug7 h ARG 24 Ca 0.16 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1ug7 h ARG 24 Cb 0.56 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1ug7 h ARG 24 CO -0.55 -0.00 -0.07 -0.09 2.80 0.00 0.00 179.97 182.05 1ug7 h ARG 25 N -0.01 0.30 -0.62 0.20 2.43 0.33 -1.82 114.38 115.19 1ug7 h ARG 25 Ca 0.40 -0.13 0.18 0.00 -0.81 0.00 0.00 59.98 59.62 1ug7 h ARG 25 Cb 0.62 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1ug7 h ARG 25 CO -0.88 0.63 0.65 0.78 -1.51 0.00 0.00 179.97 179.64 1ug7 h GLY 26 N -0.04 0.00 0.79 2.80 0.00 0.36 0.54 103.07 107.51 1ug7 h GLY 26 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.00 1ug7 h GLY 26 CO 0.02 0.00 -1.85 0.00 0.00 0.00 0.00 176.54 174.71 1ug7 h ALA 27 N 1.29 0.27 -0.72 3.60 0.00 -0.54 -3.12 119.26 120.04 1ug7 h ALA 27 Ca 0.29 -1.24 0.04 0.00 0.00 0.00 0.00 54.91 54.00 1ug7 h ALA 27 Cb 1.59 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1ug7 h ALA 27 CO -0.00 1.14 0.45 -0.44 0.00 0.00 0.00 179.25 180.40 1ug7 h ASP 28 N 0.09 0.73 0.64 0.00 3.32 0.77 -0.04 116.42 121.93 1ug7 h ASP 28 Ca -0.38 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1ug7 h ASP 28 Cb 2.07 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 41.48 1ug7 h ASP 28 CO 0.14 0.50 -0.31 -0.26 -1.72 0.00 0.00 179.24 177.59 1ug7 h PHE 29 N 0.87 -0.79 -0.40 4.55 0.04 -0.80 -2.51 116.94 117.90 1ug7 h PHE 29 Ca 0.30 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.13 1ug7 h PHE 29 Cb 0.05 0.26 -0.09 0.00 2.20 0.00 0.00 35.95 38.37 1ug7 h PHE 29 CO -0.04 -0.46 -0.35 -0.44 -0.60 0.00 0.00 178.31 176.42 1ug7 h ASP 30 N -1.00 -1.15 0.00 2.17 3.32 -1.44 0.48 116.42 118.80 1ug7 h ASP 30 Ca -0.09 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ug7 h ASP 30 Cb 0.70 0.53 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1ug7 h ASP 30 CO 0.14 -0.33 0.00 -1.20 -1.72 0.00 0.00 179.24 176.13 1ug7 n SER 31 N -5.42 0.00 0.00 6.45 7.64 -0.05 -2.58 113.62 119.66 1ug7 n SER 31 Ca 0.01 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1ug7 n SER 31 Cb 0.34 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -2.68 0.00 0.00 1.43 8.01 -0.95 -4.85 117.44 118.40 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 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 28.91 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 -0.96 0.00 2.64 6.99 0.00 0.75 -5.09 105.19 109.52 1ug7 n GLY 33 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.81 0.11 1.61 1.13 0.13 -4.88 117.38 118.29 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 -2.32 -0.08 0.00 0.11 0.00 0.00 30.24 27.95 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 4.69 -0.21 -0.10 1.08 3.38 -1.88 0.88 115.31 123.16 1ug7 h LEU 35 Ca 0.19 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1ug7 h LEU 35 Cb 0.68 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1ug7 h LEU 35 CO 0.91 0.01 -0.44 0.58 0.09 0.00 0.00 178.44 179.60 1ug7 h VAL 36 N -0.44 0.12 -0.47 1.22 2.07 -1.98 0.88 116.25 117.64 1ug7 h VAL 36 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1ug7 h VAL 36 Cb 0.34 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1ug7 h VAL 36 CO 0.04 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.49 1ug7 h GLU 37 N -0.53 0.67 0.62 1.57 5.08 -1.95 -1.92 114.58 118.13 1ug7 h GLU 37 Ca 0.06 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1ug7 h GLU 37 Cb 0.65 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ug7 h GLU 37 CO -0.39 0.56 -0.30 0.00 -1.00 0.00 0.00 179.01 177.89 1ug7 h ALA 38 N 1.54 -1.17 -0.69 3.43 0.00 0.29 -2.17 119.26 120.49 1ug7 h ALA 38 Ca 0.16 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ug7 h ALA 38 Cb 0.14 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 1ug7 h ALA 38 CO -0.02 -1.11 -0.38 0.82 0.00 0.00 0.00 179.25 178.57 1ug7 h ILE 39 N -0.87 0.11 -0.87 0.00 2.04 0.79 0.32 117.51 119.03 1ug7 h ILE 39 Ca -0.09 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.92 1ug7 h ILE 39 Cb 0.64 0.11 -0.15 0.00 -0.74 0.00 0.00 36.82 36.67 1ug7 h ILE 39 CO 0.14 0.00 -0.33 -0.78 0.00 0.00 0.00 178.15 177.18 1ug7 h ASP 40 N -0.14 -1.22 0.10 1.72 3.58 -1.27 0.39 116.42 119.58 1ug7 h ASP 40 Ca 0.24 0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1ug7 h ASP 40 Cb 0.56 0.66 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1ug7 h ASP 40 CO -0.76 -0.30 -0.24 -0.08 -2.88 0.00 0.00 179.24 174.99 1ug7 h GLU 41 N -0.04 -0.36 -0.29 0.28 4.57 0.29 0.27 114.58 119.30 1ug7 h GLU 41 Ca 0.34 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.58 1ug7 h GLU 41 Cb 0.60 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 1ug7 h GLU 41 CO -0.90 -0.24 -0.41 1.88 -1.18 0.00 0.00 179.01 178.17 1ug7 h TYR 42 N -0.37 -1.24 -0.10 0.92 0.05 -0.28 0.34 116.97 116.29 1ug7 h TYR 42 Ca -0.01 0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.84 1ug7 h TYR 42 Cb 0.36 0.58 -0.02 0.00 1.01 0.00 0.00 36.73 38.66 1ug7 h TYR 42 CO -0.31 -0.36 -0.13 1.96 -1.05 0.00 0.00 178.16 178.27 1ug7 h GLN 43 N -0.30 -0.09 -0.69 4.88 4.20 -0.19 1.37 115.11 124.30 1ug7 h GLN 43 Ca 0.05 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.83 1ug7 h GLN 43 Cb 0.43 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.15 1ug7 h GLN 43 CO -0.43 -0.06 -0.47 0.82 -0.67 0.00 0.00 178.83 178.02 1ug7 h ILE 44 N -0.09 0.00 -0.95 2.54 5.03 -0.14 1.60 117.51 125.50 1ug7 h ILE 44 Ca 0.02 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 64.97 1ug7 h ILE 44 Cb 0.14 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.85 1ug7 h ILE 44 CO -0.14 0.00 0.62 0.25 -0.68 0.00 0.00 178.15 178.20 1ug7 h LEU 45 N -0.08 0.50 -0.58 1.44 5.85 0.32 0.46 115.31 123.22 1ug7 h LEU 45 Ca 0.11 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ug7 h LEU 45 Cb 0.37 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1ug7 h LEU 45 CO -0.69 0.18 0.24 0.00 -0.34 0.00 0.00 178.44 177.83 1ug7 h ALA 46 N 1.61 0.76 -0.38 1.25 0.00 1.25 -0.85 119.26 122.90 1ug7 h ALA 46 Ca 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ug7 h ALA 46 Cb 1.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1ug7 h ALA 46 CO -0.24 0.36 0.25 0.00 0.00 0.00 0.00 179.25 179.62 1ug7 h ARG 47 N 0.80 0.51 0.30 0.00 -0.00 0.46 -2.54 114.38 113.91 1ug7 h ARG 47 Ca 0.20 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.64 1ug7 h ARG 47 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1ug7 h ARG 47 CO -0.02 0.35 -0.24 0.45 0.00 0.00 0.00 179.97 180.51 1ug7 h HIS 48 N 0.52 -0.63 -0.94 3.04 3.86 -0.88 -1.62 115.15 118.49 1ug7 h HIS 48 Ca 0.14 -0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.60 1ug7 h HIS 48 Cb -0.04 0.24 -0.17 0.00 1.06 0.00 0.00 27.41 28.50 1ug7 h HIS 48 CO -0.05 -0.36 0.04 -0.07 0.86 0.00 0.00 177.93 178.36 1ug7 h LEU 49 N -0.55 -0.41 0.14 2.43 3.38 -0.94 0.62 115.31 119.98 1ug7 h LEU 49 Ca -0.02 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1ug7 h LEU 49 Cb 0.48 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ug7 h LEU 49 CO -0.02 -0.31 -0.07 1.56 0.09 0.00 0.00 178.44 179.69 1ug7 h GLN 50 N 0.04 -0.18 -1.37 1.13 4.20 -0.96 1.49 115.11 119.46 1ug7 h GLN 50 Ca 0.57 0.01 0.40 0.00 0.06 0.00 0.00 58.65 59.69 1ug7 h GLN 50 Cb 1.14 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.89 1ug7 h GLN 50 CO -0.86 -0.12 0.96 -0.22 -0.67 0.00 0.00 178.83 177.92 1ug7 h LYS 51 N -0.19 0.07 0.00 1.46 1.63 0.11 1.43 116.57 121.09 1ug7 h LYS 51 Ca -0.02 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.56 1ug7 h LYS 51 Cb 0.15 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1ug7 h LYS 51 CO 0.03 0.05 -1.98 0.39 -3.45 0.00 0.00 179.45 174.49 1ug7 n GLU 52 N -4.29 0.66 0.00 1.90 -0.58 -0.56 -2.91 120.64 114.86 1ug7 n GLU 52 Ca 0.32 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1ug7 n GLU 52 Cb 1.40 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 1ug7 n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ug7 n ALA 53 N -2.51 -0.01 0.08 0.62 0.00 0.50 -4.60 120.51 114.58 1ug7 n ALA 53 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1ug7 n ALA 53 Cb 0.91 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.22 1ug7 n ALA 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1ug7 h GLN 54 N 0.00 0.37 -3.91 0.00 3.07 0.87 -3.47 115.11 112.04 1ug7 h GLN 54 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 58.65 58.11 1ug7 h GLN 54 Cb 0.00 0.24 0.00 0.00 0.08 0.00 0.00 27.48 27.80 1ug7 h GLN 54 CO 0.00 1.27 -0.85 0.00 0.09 0.00 0.00 178.83 179.35 1ug7 n ALA 55 N -2.79 -2.15 -0.29 0.06 0.00 0.14 -4.75 120.51 110.73 1ug7 n ALA 55 Ca -0.21 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 1ug7 n ALA 55 Cb 1.07 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 1ug7 n ALA 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ug7 n GLN 56 N 1.48 -0.31 0.00 0.00 1.13 -1.26 -4.45 117.38 113.97 1ug7 n GLN 56 Ca 0.00 1.32 0.00 0.00 -1.94 0.00 0.00 57.00 56.38 1ug7 n GLN 56 Cb 0.00 -1.95 0.00 0.00 0.11 0.00 0.00 30.24 28.40 1ug7 n GLN 56 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1ug7 n HIS 57 N -4.58 0.00 -3.03 1.08 8.25 -1.26 -5.04 115.22 110.65 1ug7 n HIS 57 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.49 1ug7 n HIS 57 Cb 0.18 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ug7 n HIS 57 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ug7 s ASN 58 N -3.11 -0.97 -0.40 0.41 2.20 -1.26 -4.90 114.94 106.90 1ug7 s ASN 58 Ca 0.00 -0.37 0.07 0.00 -0.94 0.00 0.00 52.86 51.62 1ug7 s ASN 58 Cb 0.00 1.31 0.17 0.00 -2.00 0.00 0.00 41.25 40.74 1ug7 s ASN 58 CO 0.00 -0.12 0.57 0.21 -2.94 0.00 0.00 177.10 174.82 1ug7 s ASN 59 N 2.09 -0.91 -0.30 3.54 2.47 -1.26 -5.12 114.94 115.46 1ug7 s ASN 59 Ca 0.16 -1.01 -0.13 0.00 0.42 0.00 0.00 52.86 52.30 1ug7 s ASN 59 Cb -0.02 1.63 0.16 0.00 -1.45 0.00 0.00 41.25 41.57 1ug7 s ASN 59 CO -0.13 -0.19 0.88 -0.94 -3.72 0.00 0.00 177.10 173.00 1ug7 s SER 60 N 1.71 -0.78 -0.33 -4.21 1.04 -1.26 -4.60 113.70 105.27 1ug7 s SER 60 Ca 0.17 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 1ug7 s SER 60 Cb -0.06 1.85 0.23 0.00 0.10 0.00 0.00 66.02 68.14 1ug7 s SER 60 CO -0.06 -0.15 1.99 -1.84 0.98 0.00 0.00 173.24 174.16 1ug7 n GLU 61 N 5.16 1.85 -4.45 4.02 0.28 -1.26 -4.88 120.64 121.35 1ug7 n GLU 61 Ca -0.09 -1.66 -0.23 0.00 -0.16 0.00 0.00 57.16 55.02 1ug7 n GLU 61 Cb 0.52 -1.65 -0.10 0.00 1.43 0.00 0.00 31.44 31.63 1ug7 n GLU 61 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1ug7 s PHE 62 N -1.93 2.13 0.24 -1.84 0.08 -1.26 -5.04 117.98 110.36 1ug7 s PHE 62 Ca 0.33 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 56.90 1ug7 s PHE 62 Cb 0.26 -1.07 -0.03 0.00 -0.57 0.00 0.00 43.02 41.60 1ug7 s PHE 62 CO -0.00 0.52 0.39 -0.08 -0.10 0.00 0.00 175.22 175.95 1ug7 s THR 63 N -2.74 5.23 0.36 0.64 -1.32 -1.26 -4.79 115.64 111.76 1ug7 s THR 63 Ca 0.29 -0.70 0.18 0.00 -1.21 0.00 0.00 61.69 60.25 1ug7 s THR 63 Cb -0.00 -3.82 0.36 0.00 -1.51 0.00 0.00 72.50 67.53 1ug7 s THR 63 CO 0.13 -0.31 1.57 -0.62 -2.21 0.00 0.00 174.62 173.18 1ug7 n GLU 64 N -1.20 -0.06 0.04 7.08 1.02 -1.26 0.14 120.64 126.40 1ug7 n GLU 64 Ca -0.07 1.39 -0.12 0.00 -0.02 0.00 0.00 57.16 58.34 1ug7 n GLU 64 Cb 0.56 -2.46 -0.08 0.00 -0.02 0.00 0.00 31.44 29.44 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 -0.02 0.45 3.49 5.08 -1.98 0.27 114.58 121.87 1ug7 h GLU 65 Ca 0.81 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.15 1ug7 h GLU 65 Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1ug7 h GLU 65 CO -0.79 0.09 -0.22 1.96 -1.00 0.00 0.00 179.01 179.06 1ug7 h GLN 66 N -0.13 -0.59 -0.83 2.33 4.20 0.89 -2.92 115.11 118.06 1ug7 h GLN 66 Ca -0.00 0.04 0.21 0.00 0.06 0.00 0.00 58.65 58.96 1ug7 h GLN 66 Cb 0.13 0.13 -0.14 0.00 0.30 0.00 0.00 27.48 27.90 1ug7 h GLN 66 CO 0.00 -0.39 0.16 1.57 -0.67 0.00 0.00 178.83 179.51 1ug7 h LYS 67 N -0.65 0.18 -0.33 1.46 5.09 -0.76 -0.83 116.57 120.73 1ug7 h LYS 67 Ca -0.06 -0.01 0.03 0.00 0.09 0.00 0.00 60.65 60.70 1ug7 h LYS 67 Cb 0.47 -0.04 -0.04 0.00 0.10 0.00 0.00 32.23 32.72 1ug7 h LYS 67 CO 0.10 0.12 -0.20 0.87 -2.09 0.00 0.00 179.45 178.26 1ug7 h LYS 68 N 0.19 -0.00 0.17 0.07 1.79 -0.32 0.50 116.57 118.96 1ug7 h LYS 68 Ca 0.50 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.98 1ug7 h LYS 68 Cb 0.95 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.57 1ug7 h LYS 68 CO -0.64 -0.00 -0.32 1.15 -1.08 0.00 0.00 179.45 178.56 1ug7 h THR 69 N -0.00 0.32 -0.95 -0.16 2.02 -1.02 -1.02 112.91 112.10 1ug7 h THR 69 Ca 0.05 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.47 1ug7 h THR 69 Cb 0.14 0.32 -0.18 0.00 -1.74 0.00 0.00 68.15 66.69 1ug7 h THR 69 CO -0.31 0.00 -0.08 -0.38 0.37 0.00 0.00 175.52 175.11 1ug7 n ILE 70 N -5.42 -0.40 -0.16 3.11 5.41 -0.37 0.18 119.36 121.71 1ug7 n ILE 70 Ca -0.07 2.12 -0.09 0.00 1.00 0.00 0.00 62.75 65.71 1ug7 n ILE 70 Cb 0.33 -3.03 -0.00 0.00 -0.71 0.00 0.00 39.64 36.23 1ug7 n ILE 70 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1ug7 h GLY 71 N 0.00 0.76 0.98 7.39 0.00 0.84 -2.42 103.07 110.62 1ug7 h GLY 71 Ca 0.53 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ug7 h GLY 71 CO -0.93 0.44 0.20 0.50 0.00 0.00 0.00 176.54 176.75 1ug7 h LYS 72 N 0.59 0.46 -0.35 4.80 1.57 0.32 -1.94 116.57 122.01 1ug7 h LYS 72 Ca 0.14 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1ug7 h LYS 72 Cb 0.30 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.43 1ug7 h LYS 72 CO -0.00 0.35 -0.27 0.82 -0.57 0.00 0.00 179.45 179.78 1ug7 h ILE 73 N 0.43 0.31 0.07 1.86 2.04 0.89 -1.44 117.51 121.67 1ug7 h ILE 73 Ca 0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1ug7 h ILE 73 Cb 0.01 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 1ug7 h ILE 73 CO -0.02 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.65 1ug7 h ALA 74 N 0.86 -0.84 -0.92 1.87 0.00 -1.10 -1.13 119.26 118.00 1ug7 h ALA 74 Ca 0.17 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.18 1ug7 h ALA 74 Cb 0.50 0.82 -0.17 0.00 0.00 0.00 0.00 17.79 18.93 1ug7 h ALA 74 CO -0.48 -1.05 -0.24 2.41 0.00 0.00 0.00 179.25 179.89 1ug7 n THR 75 N -5.47 -0.39 0.07 0.00 -1.04 -0.63 0.14 114.28 106.96 1ug7 n THR 75 Ca -0.07 2.12 -0.12 0.00 -2.04 0.00 0.00 64.05 63.94 1ug7 n THR 75 Cb 0.39 -2.93 -0.05 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 -0.35 -1.53 -1.53 0.00 3.38 0.22 1.35 115.31 116.84 1ug7 h LEU 77 Ca 0.05 0.22 0.49 0.00 0.09 0.00 0.00 57.88 58.73 1ug7 h LEU 77 Cb 0.41 0.66 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 1ug7 h LEU 77 CO -0.17 -0.21 1.04 -0.62 0.09 0.00 0.00 178.44 178.56 1ug7 n GLU 78 N -4.67 -0.02 0.11 1.13 1.02 -0.56 0.94 120.64 118.59 1ug7 n GLU 78 Ca 0.00 1.14 -0.09 0.00 -0.02 0.00 0.00 57.16 58.20 1ug7 n GLU 78 Cb 0.21 -2.38 -0.05 0.00 -0.02 0.00 0.00 31.44 29.20 1ug7 n GLU 78 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ug7 h LEU 79 N 0.00 -0.31 -0.08 -4.62 3.38 0.19 -2.38 115.31 111.50 1ug7 h LEU 79 Ca 0.87 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.70 1ug7 h LEU 79 Cb 3.05 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 43.86 1ug7 h LEU 79 CO -0.29 0.19 -0.14 -0.09 0.09 0.00 0.00 178.44 178.20 1ug7 h ARG 80 N -1.02 -0.11 -0.19 1.13 9.65 0.20 1.02 114.38 125.06 1ug7 h ARG 80 Ca -0.04 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1ug7 h ARG 80 Cb 0.43 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 1ug7 h ARG 80 CO 0.06 -0.07 -0.21 0.77 2.80 0.00 0.00 179.97 183.32 1ug7 h SER 81 N -0.11 -0.72 -0.76 -3.80 0.02 -1.23 -0.41 113.55 106.52 1ug7 h SER 81 Ca 0.01 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 61.18 1ug7 h SER 81 Cb 0.15 0.30 -0.13 0.00 0.14 0.00 0.00 62.40 62.86 1ug7 h SER 81 CO -0.13 -0.14 -0.41 0.00 -1.14 0.00 0.00 176.83 175.01 1ug7 h ALA 82 N -0.76 -0.10 -0.94 3.77 0.00 -1.15 0.83 119.26 120.91 1ug7 h ALA 82 Ca 0.03 0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.38 1ug7 h ALA 82 Cb 0.21 0.97 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 1ug7 h ALA 82 CO -0.25 -0.73 0.05 0.00 0.00 0.00 0.00 179.25 178.32 1ug7 h ALA 83 N 0.97 1.12 0.38 0.00 0.00 0.25 0.98 119.26 122.96 1ug7 h ALA 83 Ca 0.25 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 1ug7 h ALA 83 Cb 0.56 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ug7 h ALA 83 CO -0.81 -0.54 -0.18 -0.07 0.00 0.00 0.00 179.25 177.65 1ug7 h LEU 84 N 0.04 -0.43 -0.55 0.00 3.38 0.21 -2.90 115.31 115.06 1ug7 h LEU 84 Ca 0.57 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.60 1ug7 h LEU 84 Cb 1.14 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 1ug7 h LEU 84 CO -0.86 -0.24 0.10 1.56 0.09 0.00 0.00 178.44 179.10 1ug7 h GLN 85 N -0.59 0.23 0.00 1.13 4.20 0.17 -3.42 115.11 116.83 1ug7 h GLN 85 Ca -0.05 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 1ug7 h GLN 85 Cb 0.44 -0.05 0.11 0.00 0.30 0.00 0.00 27.48 28.28 1ug7 h GLN 85 CO 0.09 0.15 -0.09 0.43 -0.67 0.00 0.00 178.83 178.74 1ug7 n SER 86 N -5.13 -3.13 -0.83 1.46 7.64 0.28 -5.06 113.62 108.86 1ug7 n SER 86 Ca 0.07 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1ug7 n SER 86 Cb 0.28 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1ug7 n SER 86 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ug7 n THR 87 N -4.48 0.00 -2.90 0.44 5.66 -1.26 -4.96 114.28 106.78 1ug7 n THR 87 Ca 0.07 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.01 1ug7 n THR 87 Cb 0.32 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.10 1ug7 n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ug7 n GLN 88 N 0.00 -2.60 -2.83 1.09 1.13 -1.26 -4.50 117.38 108.41 1ug7 n GLN 88 Ca 0.00 2.20 -0.01 0.00 -1.94 0.00 0.00 57.00 57.25 1ug7 n GLN 88 Cb 0.00 -4.68 0.00 0.00 0.11 0.00 0.00 30.24 25.67 1ug7 n GLN 88 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ug7 n SER 89 N 0.33 -7.72 -4.88 1.08 7.64 -1.26 -4.98 113.62 103.82 1ug7 n SER 89 Ca 0.03 1.16 -0.31 0.00 1.01 0.00 0.00 58.87 60.76 1ug7 n SER 89 Cb 0.29 -4.56 -0.05 0.00 -1.01 0.00 0.00 64.21 58.88 1ug7 n SER 89 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ug7 s GLN 90 N -1.59 3.74 0.00 1.43 -0.21 -1.26 -4.98 119.66 116.78 1ug7 s GLN 90 Ca 0.02 0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.60 1ug7 s GLN 90 Cb -0.01 -2.67 0.05 0.00 1.00 0.00 0.00 33.01 31.38 1ug7 s GLN 90 CO 0.64 0.31 0.80 -1.91 -2.12 0.00 0.00 175.29 173.01 1ug7 n GLU 91 N -0.31 0.00 0.00 2.91 2.13 -1.26 -5.11 120.64 119.00 1ug7 n GLU 91 Ca -0.00 -0.68 0.00 0.00 0.66 0.00 0.00 57.16 57.13 1ug7 n GLU 91 Cb 0.53 -0.04 0.00 0.00 0.27 0.00 0.00 31.44 32.19 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 0.06 3.46 -2.46 5.31 4.71 -1.26 -5.03 120.64 125.43 1ug7 n GLU 92 Ca -0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.72 1ug7 n GLU 92 Cb 0.67 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 31.06 1ug7 n GLU 92 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1ug7 s PHE 93 N 1.49 3.37 0.00 -0.32 5.36 -1.26 -5.05 117.98 121.56 1ug7 s PHE 93 Ca 0.00 1.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1ug7 s PHE 93 Cb 0.00 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 1ug7 s PHE 93 CO 0.00 -0.73 0.00 0.36 -1.46 0.00 0.00 175.22 173.39 1ug7 n LYS 94 N 0.56 1.41 -0.03 10.12 2.85 -1.26 -4.62 118.16 127.19 1ug7 n LYS 94 Ca 0.02 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.20 1ug7 n LYS 94 Cb 0.47 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.78 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 -0.05 -1.00 -5.58 5.85 -1.97 -2.40 115.31 110.15 1ug7 h LEU 95 Ca 0.00 -0.48 0.24 0.00 0.84 0.00 0.00 57.88 58.49 1ug7 h LEU 95 Cb 0.00 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 40.92 1ug7 h LEU 95 CO 0.00 0.65 0.59 1.05 -0.34 0.00 0.00 178.44 180.40 1ug7 h GLU 96 N -0.96 0.57 0.00 1.25 4.11 -1.97 1.88 114.58 119.45 1ug7 h GLU 96 Ca -0.01 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 59.27 1ug7 h GLU 96 Cb 0.53 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1ug7 h GLU 96 CO 0.01 0.38 -0.55 -0.44 0.07 0.00 0.00 179.01 178.48 1ug7 h ASP 97 N 0.59 0.00 0.00 3.06 5.19 -1.97 -2.75 116.42 120.54 1ug7 h ASP 97 Ca 0.64 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 57.05 1ug7 h ASP 97 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1ug7 h ASP 97 CO -0.47 0.55 -0.00 0.25 -3.12 0.00 0.00 179.24 176.44 1ug7 h LEU 98 N 0.00 -0.00 -2.02 1.55 5.85 0.21 -3.15 115.31 117.74 1ug7 h LEU 98 Ca -0.01 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1ug7 h LEU 98 Cb 1.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1ug7 h LEU 98 CO 0.07 0.90 0.33 0.50 -0.34 0.00 0.00 178.44 179.90 1ug7 h LYS 99 N -0.90 0.00 0.00 1.25 1.63 0.23 1.11 116.57 119.88 1ug7 h LYS 99 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ug7 h LYS 99 Cb 0.90 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1ug7 h LYS 99 CO 0.00 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.63 1ug7 n LYS 100 N -2.89 0.04 0.00 1.90 4.76 -1.04 -0.39 118.16 120.53 1ug7 n LYS 100 Ca -0.02 0.28 0.12 0.00 -2.87 0.00 0.00 58.31 55.82 1ug7 n LYS 100 Cb 0.37 -1.50 0.23 0.00 -1.84 0.00 0.00 35.03 32.29 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 -1.45 1.65 -0.03 -0.35 4.77 0.38 -3.77 117.00 118.21 1ug7 n LEU 101 Ca 0.03 -0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 55.33 1ug7 n LEU 101 Cb 0.12 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1ug7 n LEU 101 CO 0.10 0.30 0.59 -0.08 -1.33 0.00 0.00 177.39 176.97 1ug7 h GLU 102 N 2.16 0.06 0.00 3.23 4.81 -0.84 -2.28 114.58 121.72 1ug7 h GLU 102 Ca 0.00 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1ug7 h GLU 102 Cb 0.65 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1ug7 h GLU 102 CO 0.00 0.60 -0.68 -1.00 -0.73 0.00 0.00 179.01 177.21 1ug7 h PRO 103 N -0.47 0.00 0.00 0.92 0.13 -1.72 -3.07 132.00 127.78 1ug7 h PRO 103 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ug7 h PRO 103 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1ug7 h PRO 103 CO 0.01 0.68 0.00 -0.89 -0.23 0.00 0.00 178.00 177.57 1ug7 n ILE 104 N -3.59 0.00 -0.52 -3.56 5.41 -1.23 0.23 119.36 116.09 1ug7 n ILE 104 Ca -0.00 1.32 0.43 0.00 1.00 0.00 0.00 62.75 65.49 1ug7 n ILE 104 Cb 0.70 -2.31 0.73 0.00 -0.71 0.00 0.00 39.64 38.05 1ug7 n ILE 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ug7 h LEU 105 N 0.00 0.11 0.05 1.39 3.38 -1.53 2.10 115.31 120.81 1ug7 h LEU 105 Ca 0.00 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1ug7 h LEU 105 Cb 0.00 0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ug7 h LEU 105 CO 0.00 -0.07 -0.46 0.50 0.09 0.00 0.00 178.44 178.50 1ug7 h LYS 106 N 0.05 0.21 -0.87 1.13 1.63 -1.40 -3.19 116.57 114.14 1ug7 h LYS 106 Ca 0.82 -0.30 -0.05 0.00 -0.85 0.00 0.00 60.65 60.26 1ug7 h LYS 106 Cb 2.97 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 34.67 1ug7 h LYS 106 CO -0.18 1.09 0.07 0.09 -3.45 0.00 0.00 179.45 177.07 1ug7 n ASN 107 N -4.35 3.08 -0.09 4.20 3.02 0.61 -4.33 115.26 117.41 1ug7 n ASN 107 Ca -0.11 -2.46 -0.06 0.00 -0.03 0.00 0.00 54.58 51.91 1ug7 n ASN 107 Cb 0.64 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.38 0.53 -0.63 2.41 1.08 0.27 0.33 117.51 122.88 1ug7 h ILE 108 Ca 0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1ug7 h ILE 108 Cb 1.29 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 1ug7 h ILE 108 CO 0.27 0.00 0.29 -0.07 -0.69 0.00 0.00 178.15 177.96 1ug7 h LEU 109 N -0.09 0.82 -4.54 1.44 3.38 -1.84 -2.62 115.31 111.87 1ug7 h LEU 109 Ca 0.17 -0.14 -0.65 0.00 0.09 0.00 0.00 57.88 57.36 1ug7 h LEU 109 Cb 0.35 -0.21 -0.24 0.00 0.09 0.00 0.00 40.66 40.65 1ug7 h LEU 109 CO -0.40 0.73 0.82 1.07 0.09 0.00 0.00 178.44 180.75 1ug7 n THR 110 N -4.49 3.47 -3.83 0.22 5.66 -0.15 -4.92 114.28 110.24 1ug7 n THR 110 Ca 0.04 -3.47 -0.36 0.00 -3.05 0.00 0.00 64.05 57.21 1ug7 n THR 110 Cb 0.13 -1.31 -0.13 0.00 -1.55 0.00 0.00 70.33 67.47 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 -3.29 3.04 -0.75 1.09 5.04 0.97 -4.89 117.35 118.57 1ug7 s TYR 111 Ca 0.55 -0.58 -0.02 0.00 -2.44 0.00 0.00 57.07 54.58 1ug7 s TYR 111 Cb 0.43 -2.18 0.40 0.00 0.35 0.00 0.00 41.96 40.96 1ug7 s TYR 111 CO -0.25 -0.40 2.03 0.09 -1.34 0.00 0.00 175.55 175.68 1ug7 n ASN 112 N 4.81 7.62 -0.12 4.32 4.13 -1.26 -5.02 115.26 129.74 1ug7 n ASN 112 Ca -0.17 -3.81 0.00 0.00 1.68 0.00 0.00 54.58 52.28 1ug7 n ASN 112 Cb 0.51 -1.02 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 1ug7 n ASN 112 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ug7 n LYS 113 N -0.74 0.00 -1.82 3.52 4.01 -1.26 -4.92 118.16 116.95 1ug7 n LYS 113 Ca 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.39 1ug7 n LYS 113 Cb 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.99 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 -0.23 0.00 -1.47 1.97 2.13 -1.26 -4.99 120.64 116.79 1ug7 n GLU 114 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1ug7 n GLU 114 Cb 0.00 -2.18 -0.00 0.00 0.27 0.00 0.00 31.44 29.53 1ug7 n GLU 114 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ug7 n PHE 115 N -1.09 -0.22 0.65 4.31 7.35 -1.26 -4.83 117.46 122.36 1ug7 n PHE 115 Ca 0.00 0.67 0.11 0.00 -0.76 0.00 0.00 57.45 57.47 1ug7 n PHE 115 Cb 0.44 -2.03 0.46 0.00 0.35 0.00 0.00 39.48 38.70 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 0.69 0.10 -4.30 -7.13 -0.04 -1.26 -4.76 135.00 118.30 1ug7 n PRO 116 Ca 0.12 0.21 -0.23 0.00 -0.04 0.00 0.00 63.50 63.56 1ug7 n PRO 116 Cb 0.36 -1.65 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 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 -3.09 1.78 -0.95 0.54 0.08 -1.26 -5.07 117.98 110.01 1ug7 s PHE 117 Ca 0.09 -0.44 -0.24 0.00 0.12 0.00 0.00 56.93 56.46 1ug7 s PHE 117 Cb 0.13 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 1ug7 s PHE 117 CO 0.44 0.25 1.49 -0.51 -0.10 0.00 0.00 175.22 176.79 1ug7 s ASP 118 N -2.24 6.26 -0.02 1.36 1.01 -1.26 -4.92 116.67 116.86 1ug7 s ASP 118 Ca 0.10 -1.16 0.00 0.00 0.71 0.00 0.00 52.55 52.20 1ug7 s ASP 118 Cb -0.08 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.31 1ug7 s ASP 118 CO 0.05 -1.72 0.01 0.68 0.21 0.00 0.00 175.17 174.40 1ug7 s VAL 119 N 5.78 0.03 0.35 -1.27 -7.23 -1.26 -5.07 120.40 111.73 1ug7 s VAL 119 Ca 0.48 0.13 -0.05 0.00 -1.81 0.00 0.00 61.98 60.73 1ug7 s VAL 119 Cb -0.02 -0.13 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 1ug7 s VAL 119 CO -0.04 0.09 0.62 0.00 -0.31 0.00 0.00 175.10 175.46 1ug7 s GLN 120 N 0.83 3.60 0.11 4.82 -2.07 -1.26 -4.90 119.66 120.80 1ug7 s GLN 120 Ca -0.07 0.03 -0.30 0.00 -1.82 0.00 0.00 55.36 53.19 1ug7 s GLN 120 Cb -0.11 -2.57 -0.06 0.00 -1.09 0.00 0.00 33.01 29.18 1ug7 s GLN 120 CO -0.02 0.10 1.15 -1.25 -1.32 0.00 0.00 175.29 173.94 1ug7 s PRO 121 N -3.95 4.50 0.04 9.60 0.04 -1.26 -4.28 135.00 139.69 1ug7 s PRO 121 Ca 0.45 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1ug7 s PRO 121 Cb -0.10 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1ug7 s PRO 121 CO 0.34 -0.11 1.08 0.42 0.04 0.00 0.00 177.00 178.77 1ug7 s ILE 122 N 0.50 4.45 0.12 0.56 1.01 -1.25 -4.92 121.20 121.67 1ug7 s ILE 122 Ca 0.54 1.79 -0.09 0.00 0.00 0.00 0.00 60.65 62.89 1ug7 s ILE 122 Cb -0.29 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.03 1ug7 s ILE 122 CO 0.32 0.15 0.23 -0.94 0.00 0.00 0.00 174.94 174.70 1ug7 s SER 123 N 0.92 0.08 0.31 3.58 1.04 -1.26 -4.14 113.70 114.23 1ug7 s SER 123 Ca 0.54 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 56.27 1ug7 s SER 123 Cb -0.25 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 1ug7 s SER 123 CO 0.29 -0.79 0.09 -0.83 0.98 0.00 0.00 173.24 172.97 1ug7 s GLY 124 N -2.90 2.00 -1.10 7.32 0.00 -1.26 -5.04 107.32 106.34 1ug7 s GLY 124 Ca 0.10 -1.89 -0.18 0.00 0.00 0.00 0.00 44.72 42.75 1ug7 s GLY 124 CO -0.07 -1.72 2.10 -1.55 0.00 0.00 0.00 173.10 171.86 1ug7 n PRO 125 N -0.62 2.17 -4.18 2.90 -0.04 -1.26 -4.84 135.00 129.13 1ug7 n PRO 125 Ca -0.02 -2.17 -0.12 0.00 -0.04 0.00 0.00 63.50 61.16 1ug7 n PRO 125 Cb 0.66 -3.06 -0.10 0.00 -0.04 0.00 0.00 33.50 30.96 1ug7 n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ug7 s SER 126 N 4.07 1.30 -0.03 3.54 1.04 -1.26 -5.16 113.70 117.20 1ug7 s SER 126 Ca 0.53 -0.95 0.03 0.00 0.48 0.00 0.00 55.95 56.03 1ug7 s SER 126 Cb 0.14 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1ug7 s SER 126 CO 0.02 -0.39 -0.10 -0.44 0.98 0.00 0.00 173.24 173.30 1ug7 s SER 127 N -2.89 1.39 0.00 7.02 0.01 -1.26 -5.22 113.70 112.75 1ug7 s SER 127 Ca 0.11 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1ug7 s SER 127 Cb 0.03 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1ug7 s SER 127 CO -0.03 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.30