#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 2.99 -0.24 1.61 0.15 -1.26 -5.04 113.70 111.90 1ug7 s SER 2 Ca 0.00 1.02 0.02 0.00 0.70 0.00 0.00 55.95 57.69 1ug7 s SER 2 Cb 0.00 -1.62 0.05 0.00 -1.71 0.00 0.00 66.02 62.75 1ug7 s SER 2 CO 0.00 -2.88 -0.12 -0.94 1.20 0.00 0.00 173.24 170.50 1ug7 s SER 3 N -3.80 4.11 0.17 5.45 1.04 -1.26 -5.09 113.70 114.32 1ug7 s SER 3 Ca 0.65 -1.23 -0.33 0.00 0.48 0.00 0.00 55.95 55.52 1ug7 s SER 3 Cb -0.16 -1.47 -0.15 0.00 0.10 0.00 0.00 66.02 64.33 1ug7 s SER 3 CO 0.55 -0.16 1.31 0.61 0.98 0.00 0.00 173.24 176.52 1ug7 n GLY 4 N 4.50 0.43 2.73 7.32 0.00 -1.26 -4.93 105.19 113.99 1ug7 n GLY 4 Ca -0.15 0.58 -0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.28 -0.31 0.71 1.61 0.01 -1.26 -5.16 113.70 109.58 1ug7 s SER 5 Ca 0.75 -0.23 -0.13 0.00 1.31 0.00 0.00 55.95 57.65 1ug7 s SER 5 Cb -0.81 0.40 0.03 0.00 0.21 0.00 0.00 66.02 65.85 1ug7 s SER 5 CO 0.49 -0.03 1.11 -0.44 0.41 0.00 0.00 173.24 174.78 1ug7 s SER 6 N 1.61 4.76 0.44 2.44 0.01 -1.26 -4.92 113.70 116.78 1ug7 s SER 6 Ca 0.18 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.40 1ug7 s SER 6 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1ug7 s SER 6 CO -0.13 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.26 1ug7 n GLY 7 N -0.71 -1.62 3.56 3.44 0.00 -1.26 -5.07 105.19 103.54 1ug7 n GLY 7 Ca 0.10 0.31 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 1ug7 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ug7 n MET 8 N -3.40 -2.78 -0.63 1.61 1.56 -1.26 -4.93 117.12 107.29 1ug7 n MET 8 Ca 0.00 0.63 -0.31 0.00 -0.27 0.00 0.00 57.70 57.75 1ug7 n MET 8 Cb 0.00 -4.97 0.19 0.00 2.15 0.00 0.00 33.22 30.59 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 -2.96 -1.65 -0.24 6.12 7.64 -1.26 -4.03 113.62 117.24 1ug7 n SER 9 Ca -0.16 0.04 0.28 0.00 1.01 0.00 0.00 58.87 60.04 1ug7 n SER 9 Cb 0.63 -1.20 0.67 0.00 -1.01 0.00 0.00 64.21 63.30 1ug7 n SER 9 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1ug7 h GLU 10 N -2.17 0.11 0.15 1.43 9.09 -1.99 0.75 114.58 121.94 1ug7 h GLU 10 Ca -0.53 -0.01 -0.29 0.00 0.05 0.00 0.00 59.36 58.59 1ug7 h GLU 10 Cb 1.32 -0.03 0.02 0.00 -1.65 0.00 0.00 28.75 28.41 1ug7 h GLU 10 CO 0.42 0.07 -1.27 -0.39 0.05 0.00 0.00 179.01 177.89 1ug7 h VAL 11 N 0.12 1.40 0.53 -1.06 -1.51 -1.99 -2.90 116.25 110.84 1ug7 h VAL 11 Ca 0.48 -2.80 -0.03 0.00 -1.23 0.00 0.00 66.70 63.13 1ug7 h VAL 11 Cb 1.71 2.87 0.01 0.00 -2.13 0.00 0.00 31.29 33.75 1ug7 h VAL 11 CO -0.07 0.83 -0.26 0.74 -1.23 0.00 0.00 177.57 177.58 1ug7 h THR 12 N 0.14 0.36 -0.95 7.19 2.02 0.00 -2.88 112.91 118.79 1ug7 h THR 12 Ca -0.17 -0.36 0.18 0.00 0.77 0.00 0.00 66.41 66.83 1ug7 h THR 12 Cb 1.97 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 68.78 1ug7 h THR 12 CO 0.22 0.05 0.61 0.08 0.37 0.00 0.00 175.52 176.85 1ug7 h ARG 13 N -0.97 0.62 -0.65 6.66 -0.00 -0.46 0.42 114.38 120.00 1ug7 h ARG 13 Ca -0.07 -0.04 0.08 0.00 -0.00 0.00 0.00 59.98 59.95 1ug7 h ARG 13 Cb 0.62 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.97 30.41 1ug7 h ARG 13 CO 0.12 0.41 0.43 0.77 -0.00 0.00 0.00 179.97 181.70 1ug7 h SER 14 N 0.63 0.50 0.15 0.08 0.02 -1.35 -1.67 113.55 111.91 1ug7 h SER 14 Ca 0.51 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 1ug7 h SER 14 Cb 0.95 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1ug7 h SER 14 CO -0.27 0.31 -0.07 0.25 -1.14 0.00 0.00 176.83 175.91 1ug7 h LEU 15 N 0.56 -0.17 -1.93 5.07 5.85 0.05 0.99 115.31 125.73 1ug7 h LEU 15 Ca 0.29 0.01 0.56 0.00 0.84 0.00 0.00 57.88 59.58 1ug7 h LEU 15 Cb 0.42 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1ug7 h LEU 15 CO -0.09 -0.08 1.41 0.18 -0.34 0.00 0.00 178.44 179.52 1ug7 n LEU 16 N -2.74 0.00 -0.01 2.25 4.77 -1.06 0.35 117.00 120.57 1ug7 n LEU 16 Ca -0.02 0.98 -0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1ug7 n LEU 16 Cb 0.08 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1ug7 n LEU 16 CO 0.06 -0.98 -0.01 -0.61 -1.33 0.00 0.00 177.39 174.52 1ug7 h GLN 17 N 0.00 0.00 -1.74 3.23 4.15 -1.09 -3.08 115.11 116.58 1ug7 h GLN 17 Ca 0.92 0.00 0.51 0.00 0.77 0.00 0.00 58.65 60.84 1ug7 h GLN 17 Cb 3.73 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 31.35 1ug7 h GLN 17 CO -0.01 0.00 1.36 0.07 -1.93 0.00 0.00 178.83 178.32 1ug7 h ARG 18 N -0.09 0.00 0.20 1.69 -0.00 0.28 0.52 114.38 116.98 1ug7 h ARG 18 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1ug7 h ARG 18 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.99 1ug7 h ARG 18 CO 0.00 0.00 -0.10 -1.49 -0.00 0.00 0.00 179.97 178.38 1ug7 h TRP 19 N 0.00 -0.25 -0.98 4.08 6.55 -0.24 -2.91 115.95 122.20 1ug7 h TRP 19 Ca 0.83 -0.01 0.23 0.00 0.95 0.00 0.00 58.89 60.90 1ug7 h TRP 19 Cb 3.53 0.08 -0.08 0.00 -0.86 0.00 0.00 29.16 31.84 1ug7 h TRP 19 CO 0.00 -0.16 0.64 0.78 -1.05 0.00 0.00 178.44 178.65 1ug7 h GLY 20 N -0.47 1.03 1.87 1.49 0.00 -0.09 0.99 103.07 107.90 1ug7 h GLY 20 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1ug7 h GLY 20 CO 0.05 -0.06 0.05 0.00 0.00 0.00 0.00 176.54 176.57 1ug7 h ALA 21 N 1.61 1.88 0.04 3.60 0.00 -0.37 1.01 119.26 127.04 1ug7 h ALA 21 Ca 0.53 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.27 1ug7 h ALA 21 Cb 1.34 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.15 1ug7 h ALA 21 CO -0.23 -0.08 -0.70 1.03 0.00 0.00 0.00 179.25 179.27 1ug7 h SER 22 N 0.00 0.55 0.18 0.00 0.87 0.12 -2.45 113.55 112.82 1ug7 h SER 22 Ca 0.03 -0.81 -0.01 0.00 -1.23 0.00 0.00 61.79 59.77 1ug7 h SER 22 Cb 0.12 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1ug7 h SER 22 CO -0.00 1.29 -0.09 0.25 -0.53 0.00 0.00 176.83 177.76 1ug7 h LEU 23 N -0.14 -0.21 -2.01 2.23 5.85 -0.80 1.45 115.31 121.69 1ug7 h LEU 23 Ca -0.10 -0.31 0.15 0.00 0.84 0.00 0.00 57.88 58.46 1ug7 h LEU 23 Cb 1.44 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 1ug7 h LEU 23 CO 0.14 0.24 0.42 0.03 -0.34 0.00 0.00 178.44 178.93 1ug7 h ARG 24 N -0.72 0.00 0.08 1.25 2.47 0.89 -0.43 114.38 117.93 1ug7 h ARG 24 Ca -0.02 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.38 1ug7 h ARG 24 Cb 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 1ug7 h ARG 24 CO 0.04 0.00 -1.72 -0.09 0.56 0.00 0.00 179.97 178.76 1ug7 h ARG 25 N 0.00 0.18 0.00 0.04 2.43 -1.24 -3.28 114.38 112.50 1ug7 h ARG 25 Ca 0.24 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1ug7 h ARG 25 Cb 1.07 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1ug7 h ARG 25 CO -0.00 1.15 0.18 0.78 -1.51 0.00 0.00 179.97 180.56 1ug7 h GLY 26 N 0.32 0.00 1.04 2.80 0.00 0.33 0.25 103.07 107.82 1ug7 h GLY 26 Ca -0.39 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.61 1ug7 h GLY 26 CO -0.01 0.00 -1.67 0.00 0.00 0.00 0.00 176.54 174.85 1ug7 h ALA 27 N 1.62 0.34 -0.79 3.60 0.00 -1.25 -3.31 119.26 119.48 1ug7 h ALA 27 Ca 0.00 -1.21 0.16 0.00 0.00 0.00 0.00 54.91 53.86 1ug7 h ALA 27 Cb 0.35 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 1ug7 h ALA 27 CO 0.00 1.20 0.32 -0.44 0.00 0.00 0.00 179.25 180.33 1ug7 h ASP 28 N 0.07 0.28 0.88 0.00 3.32 -0.56 -1.07 116.42 119.35 1ug7 h ASP 28 Ca -0.30 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1ug7 h ASP 28 Cb 2.03 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.69 1ug7 h ASP 28 CO 0.14 0.08 -0.47 -0.26 -1.72 0.00 0.00 179.24 177.02 1ug7 h PHE 29 N 0.44 -1.24 -0.37 4.55 0.04 -1.64 -1.94 116.94 116.78 1ug7 h PHE 29 Ca 0.44 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.23 1ug7 h PHE 29 Cb 0.71 0.42 -0.05 0.00 2.20 0.00 0.00 35.95 39.22 1ug7 h PHE 29 CO -0.17 -0.73 -0.32 0.22 -0.60 0.00 0.00 178.31 176.72 1ug7 h ASP 30 N -1.24 -1.10 -0.97 2.17 3.58 -1.46 1.47 116.42 118.86 1ug7 h ASP 30 Ca -0.12 0.16 0.12 0.00 0.42 0.00 0.00 57.03 57.61 1ug7 h ASP 30 Cb 0.97 0.47 -0.14 0.00 1.72 0.00 0.00 39.33 42.35 1ug7 h ASP 30 CO 0.17 -0.18 -0.47 -1.20 -2.88 0.00 0.00 179.24 174.68 1ug7 n SER 31 N -4.20 -0.81 0.00 2.28 7.64 -0.47 -2.13 113.62 115.92 1ug7 n SER 31 Ca -0.01 1.70 0.00 0.00 1.01 0.00 0.00 58.87 61.58 1ug7 n SER 31 Cb 0.17 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 -5.32 0.00 0.00 1.43 8.01 -0.01 -4.95 117.44 116.59 1ug7 n TRP 32 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 1ug7 n TRP 32 Cb 0.32 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 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 -0.47 0.00 2.75 6.99 0.00 0.48 -5.08 105.19 109.86 1ug7 n GLY 33 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.44 -0.03 1.61 1.13 -0.22 -4.87 117.38 118.43 1ug7 n GLN 34 Ca 0.00 -4.76 -0.09 0.00 -1.94 0.00 0.00 57.00 50.21 1ug7 n GLN 34 Cb 0.00 -2.30 -0.02 0.00 0.11 0.00 0.00 30.24 28.03 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 3.69 -0.73 -0.12 1.08 3.38 -1.90 0.61 115.31 121.32 1ug7 h LEU 35 Ca 0.21 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1ug7 h LEU 35 Cb 0.53 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1ug7 h LEU 35 CO 0.92 -0.27 -0.15 0.58 0.09 0.00 0.00 178.44 179.61 1ug7 h VAL 36 N -0.25 0.00 -0.79 1.22 2.07 -1.99 0.69 116.25 117.19 1ug7 h VAL 36 Ca 0.13 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.80 1ug7 h VAL 36 Cb 0.44 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.11 1ug7 h VAL 36 CO -0.36 0.00 0.34 -0.33 0.02 0.00 0.00 177.57 177.24 1ug7 h GLU 37 N -0.10 0.46 0.15 1.57 5.08 -1.88 -1.97 114.58 117.89 1ug7 h GLU 37 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ug7 h GLU 37 Cb 0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1ug7 h GLU 37 CO -0.17 0.30 -0.27 0.00 -1.00 0.00 0.00 179.01 177.87 1ug7 h ALA 38 N 1.57 -0.86 -0.12 3.43 0.00 0.22 0.26 119.26 123.76 1ug7 h ALA 38 Ca 0.44 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.29 1ug7 h ALA 38 Cb 0.69 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1ug7 h ALA 38 CO -0.41 -0.91 -0.08 0.82 0.00 0.00 0.00 179.25 178.67 1ug7 h ILE 39 N -0.45 0.00 -0.94 0.00 2.04 0.93 0.43 117.51 119.52 1ug7 h ILE 39 Ca -0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.02 1ug7 h ILE 39 Cb 0.42 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.33 1ug7 h ILE 39 CO -0.10 0.00 -0.28 -0.78 0.00 0.00 0.00 178.15 176.99 1ug7 h ASP 40 N -0.00 -1.03 -0.11 1.72 1.82 -1.25 0.74 116.42 118.30 1ug7 h ASP 40 Ca 0.02 0.29 0.04 0.00 -0.39 0.00 0.00 57.03 56.99 1ug7 h ASP 40 Cb 0.05 0.63 -0.06 0.00 0.68 0.00 0.00 39.33 40.63 1ug7 h ASP 40 CO -0.12 -0.31 -0.42 -0.08 -1.61 0.00 0.00 179.24 176.71 1ug7 h GLU 41 N -0.01 -0.48 0.07 0.28 4.57 0.33 0.75 114.58 120.08 1ug7 h GLU 41 Ca 0.42 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.64 1ug7 h GLU 41 Cb 0.66 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1ug7 h GLU 41 CO -0.97 -0.32 -0.09 1.88 -1.18 0.00 0.00 179.01 178.33 1ug7 h TYR 42 N -0.50 -0.24 0.25 0.92 0.05 0.34 -1.37 116.97 116.42 1ug7 h TYR 42 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1ug7 h TYR 42 Cb 0.63 0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.43 1ug7 h TYR 42 CO -0.48 -0.14 -0.50 1.96 -1.05 0.00 0.00 178.16 177.95 1ug7 h GLN 43 N -0.19 -0.79 -0.67 4.88 4.20 0.82 0.90 115.11 124.26 1ug7 h GLN 43 Ca 0.01 0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.89 1ug7 h GLN 43 Cb 0.20 0.18 -0.12 0.00 0.30 0.00 0.00 27.48 28.04 1ug7 h GLN 43 CO -0.05 -0.53 -0.34 0.82 -0.67 0.00 0.00 178.83 178.06 1ug7 h ILE 44 N -0.82 0.14 -0.74 2.54 5.03 0.61 1.35 117.51 125.62 1ug7 h ILE 44 Ca -0.02 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.74 1ug7 h ILE 44 Cb 0.79 0.14 -0.04 0.00 -3.03 0.00 0.00 36.82 34.68 1ug7 h ILE 44 CO -0.20 0.00 0.47 0.25 -0.68 0.00 0.00 178.15 177.99 1ug7 h LEU 45 N -0.13 0.79 0.04 1.44 5.85 -0.62 -0.14 115.31 122.53 1ug7 h LEU 45 Ca 0.26 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1ug7 h LEU 45 Cb 0.56 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1ug7 h LEU 45 CO -0.74 0.55 -0.06 0.00 -0.34 0.00 0.00 178.44 177.86 1ug7 h ALA 46 N 1.30 -0.09 -0.48 1.25 0.00 0.62 -0.70 119.26 121.15 1ug7 h ALA 46 Ca 0.29 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1ug7 h ALA 46 Cb -0.02 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1ug7 h ALA 46 CO -0.09 -0.57 0.11 0.00 0.00 0.00 0.00 179.25 178.70 1ug7 h ARG 47 N -0.12 0.24 -0.09 0.00 3.08 0.20 -1.84 114.38 115.84 1ug7 h ARG 47 Ca 0.01 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1ug7 h ARG 47 Cb 0.13 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1ug7 h ARG 47 CO -0.04 0.16 -0.19 0.45 -1.07 0.00 0.00 179.97 179.29 1ug7 h HIS 48 N 0.25 -0.49 -0.97 3.04 3.86 -0.59 -1.61 115.15 118.64 1ug7 h HIS 48 Ca 0.24 0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.65 1ug7 h HIS 48 Cb 0.31 0.23 -0.18 0.00 1.06 0.00 0.00 27.41 28.83 1ug7 h HIS 48 CO -0.21 -0.26 -0.28 -0.07 0.86 0.00 0.00 177.93 177.96 1ug7 h LEU 49 N -0.25 -1.05 -0.45 2.43 3.38 -0.29 0.91 115.31 119.98 1ug7 h LEU 49 Ca 0.09 0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.44 1ug7 h LEU 49 Cb 0.38 0.64 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 1ug7 h LEU 49 CO -0.24 -0.31 -0.04 1.56 0.09 0.00 0.00 178.44 179.50 1ug7 h GLN 50 N -0.00 0.07 -1.95 1.13 4.20 -0.99 0.30 115.11 117.87 1ug7 h GLN 50 Ca 0.43 -0.00 0.57 0.00 0.06 0.00 0.00 58.65 59.70 1ug7 h GLN 50 Cb 0.67 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.36 1ug7 h GLN 50 CO -0.99 0.05 1.40 -0.22 -0.67 0.00 0.00 178.83 178.39 1ug7 h LYS 51 N 0.07 0.00 0.04 1.46 1.63 0.12 1.71 116.57 121.61 1ug7 h LYS 51 Ca 0.22 -0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.65 1ug7 h LYS 51 Cb 0.33 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.91 1ug7 h LYS 51 CO -0.40 0.00 -2.24 0.39 -3.45 0.00 0.00 179.45 173.75 1ug7 n GLU 52 N -3.99 0.69 0.28 1.90 -0.58 0.81 -2.58 120.64 117.17 1ug7 n GLU 52 Ca 0.44 0.18 -0.11 0.00 -0.42 0.00 0.00 57.16 57.26 1ug7 n GLU 52 Cb 2.00 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 31.21 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 0.22 -0.88 0.00 0.62 0.00 0.45 -3.18 119.26 116.49 1ug7 h ALA 53 Ca -0.50 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1ug7 h ALA 53 Cb 2.00 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 1ug7 h ALA 53 CO -0.00 -0.83 -0.30 -0.56 0.00 0.00 0.00 179.25 177.56 1ug7 h GLN 54 N -0.98 0.00 -6.03 0.00 3.07 0.12 -3.47 115.11 107.82 1ug7 h GLN 54 Ca -0.07 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.52 1ug7 h GLN 54 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.13 1ug7 h GLN 54 CO 0.12 0.30 -0.98 0.00 0.09 0.00 0.00 178.83 178.37 1ug7 n ALA 55 N -2.31 -2.55 -1.34 0.06 0.00 -1.06 -4.50 120.51 108.80 1ug7 n ALA 55 Ca -0.01 0.45 -0.54 0.00 0.00 0.00 0.00 53.44 53.34 1ug7 n ALA 55 Cb 0.43 -1.90 -0.12 0.00 0.00 0.00 0.00 19.45 17.86 1ug7 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug7 n GLN 56 N 0.34 0.13 -3.75 0.00 10.64 -1.24 0.99 117.38 124.49 1ug7 n GLN 56 Ca -0.01 0.03 -0.24 0.00 -1.83 0.00 0.00 57.00 54.95 1ug7 n GLN 56 Cb 0.48 -1.64 0.02 0.00 -0.86 0.00 0.00 30.24 28.24 1ug7 n GLN 56 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1ug7 n HIS 57 N 8.70 -1.85 -2.93 2.61 8.25 -1.26 -3.65 115.22 125.08 1ug7 n HIS 57 Ca 0.56 0.73 -0.01 0.00 -0.26 0.00 0.00 57.72 58.74 1ug7 n HIS 57 Cb 0.02 -3.98 -0.01 0.00 1.12 0.00 0.00 29.99 27.14 1ug7 n HIS 57 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ug7 n ASN 58 N -2.96 -6.25 -3.20 0.41 5.15 0.28 -5.02 115.26 103.67 1ug7 n ASN 58 Ca -0.25 0.98 0.01 0.00 -0.60 0.00 0.00 54.58 54.71 1ug7 n ASN 58 Cb 0.66 -3.35 -0.02 0.00 -0.53 0.00 0.00 39.78 36.54 1ug7 n ASN 58 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1ug7 s ASN 59 N -0.98 -1.03 0.00 1.20 2.47 -1.23 -5.08 114.94 110.29 1ug7 s ASN 59 Ca -0.05 0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.61 1ug7 s ASN 59 Cb 0.00 1.84 0.00 0.00 -1.45 0.00 0.00 41.25 41.65 1ug7 s ASN 59 CO 0.38 -0.29 0.00 -0.24 -3.72 0.00 0.00 177.10 173.22 1ug7 n SER 60 N 5.41 0.00 -2.32 -4.21 2.88 -1.26 -4.48 113.62 109.64 1ug7 n SER 60 Ca 0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.21 1ug7 n SER 60 Cb 0.52 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.07 1ug7 n SER 60 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ug7 n GLU 61 N -0.51 2.65 -4.33 -1.46 1.02 -1.26 -4.93 120.64 111.82 1ug7 n GLU 61 Ca 0.00 -3.26 -0.25 0.00 -0.02 0.00 0.00 57.16 53.63 1ug7 n GLU 61 Cb 0.00 -2.28 -0.12 0.00 -0.02 0.00 0.00 31.44 29.02 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 -3.78 1.95 0.61 -0.32 0.40 -1.26 -4.95 117.98 110.63 1ug7 s PHE 62 Ca 0.64 -0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 56.42 1ug7 s PHE 62 Cb 0.51 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1ug7 s PHE 62 CO 0.00 0.28 1.04 -0.08 0.70 0.00 0.00 175.22 177.16 1ug7 s THR 63 N -1.31 4.15 0.15 0.64 -1.32 -1.26 -4.77 115.64 111.91 1ug7 s THR 63 Ca 0.11 0.88 -0.26 0.00 -1.21 0.00 0.00 61.69 61.20 1ug7 s THR 63 Cb -0.09 -3.52 -0.00 0.00 -1.51 0.00 0.00 72.50 67.37 1ug7 s THR 63 CO 0.05 -0.73 1.59 -0.33 -2.21 0.00 0.00 174.62 172.99 1ug7 h GLU 64 N 0.10 -0.36 -0.97 7.08 4.39 -1.99 0.22 114.58 123.05 1ug7 h GLU 64 Ca -0.46 0.02 0.31 0.00 0.34 0.00 0.00 59.36 59.58 1ug7 h GLU 64 Cb 1.21 0.08 -0.16 0.00 -0.10 0.00 0.00 28.75 29.78 1ug7 h GLU 64 CO 0.59 -0.24 0.41 1.05 -1.16 0.00 0.00 179.01 179.66 1ug7 h GLU 65 N -0.37 0.18 0.27 2.33 4.11 -1.98 1.52 114.58 120.63 1ug7 h GLU 65 Ca 0.12 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1ug7 h GLU 65 Cb 0.57 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ug7 h GLU 65 CO -0.44 0.12 -0.13 1.96 0.07 0.00 0.00 179.01 180.58 1ug7 h GLN 66 N 0.19 -0.35 -0.72 1.06 4.20 -1.18 -2.52 115.11 115.79 1ug7 h GLN 66 Ca 0.69 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.55 1ug7 h GLN 66 Cb 1.59 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 29.37 1ug7 h GLN 66 CO -0.69 -0.01 0.30 0.87 -0.67 0.00 0.00 178.83 178.63 1ug7 h LYS 67 N -0.91 0.46 -0.71 1.46 1.57 0.16 1.44 116.57 120.05 1ug7 h LYS 67 Ca -0.04 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1ug7 h LYS 67 Cb 0.51 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 1ug7 h LYS 67 CO 0.06 0.30 0.34 -0.22 -0.57 0.00 0.00 179.45 179.37 1ug7 h LYS 68 N 0.47 0.55 -0.01 3.15 1.63 0.20 -1.51 116.57 121.06 1ug7 h LYS 68 Ca 0.38 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.13 1ug7 h LYS 68 Cb 0.52 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1ug7 h LYS 68 CO -0.36 0.37 -0.08 1.15 -3.45 0.00 0.00 179.45 177.08 1ug7 h THR 69 N 0.57 1.55 -0.99 1.00 2.02 -0.29 -3.00 112.91 113.78 1ug7 h THR 69 Ca 0.35 -1.74 0.34 0.00 0.77 0.00 0.00 66.41 66.13 1ug7 h THR 69 Cb 0.40 2.68 -0.18 0.00 -1.74 0.00 0.00 68.15 69.31 1ug7 h THR 69 CO -0.29 0.46 0.25 -0.38 0.37 0.00 0.00 175.52 175.93 1ug7 n ILE 70 N -4.66 -0.42 0.18 3.11 5.41 0.47 0.33 119.36 123.78 1ug7 n ILE 70 Ca -0.09 2.11 -0.13 0.00 1.00 0.00 0.00 62.75 65.63 1ug7 n ILE 70 Cb 0.40 -3.22 -0.08 0.00 -0.71 0.00 0.00 39.64 36.03 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 -0.49 -0.23 7.39 0.00 -1.31 -3.03 103.07 105.41 1ug7 h GLY 71 Ca 0.71 0.18 0.23 0.00 0.00 0.00 0.00 47.33 48.44 1ug7 h GLY 71 CO -0.86 -0.18 0.40 0.50 0.00 0.00 0.00 176.54 176.41 1ug7 h LYS 72 N -0.79 0.38 -0.92 4.80 1.57 0.03 0.86 116.57 122.50 1ug7 h LYS 72 Ca -0.05 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 1ug7 h LYS 72 Cb 0.52 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.64 1ug7 h LYS 72 CO 0.08 0.25 0.51 0.82 -0.57 0.00 0.00 179.45 180.54 1ug7 h ILE 73 N 0.39 0.70 0.04 1.86 2.04 -0.38 -0.47 117.51 121.69 1ug7 h ILE 73 Ca 0.57 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 66.20 1ug7 h ILE 73 Cb 1.10 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1ug7 h ILE 73 CO -0.54 0.12 -0.02 0.00 0.00 0.00 0.00 178.15 177.72 1ug7 h ALA 74 N 1.61 -0.05 -0.88 1.87 0.00 0.77 -3.07 119.26 119.51 1ug7 h ALA 74 Ca 0.52 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.40 1ug7 h ALA 74 Cb 0.79 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.44 1ug7 h ALA 74 CO -0.38 -0.33 -0.26 2.41 0.00 0.00 0.00 179.25 180.68 1ug7 n THR 75 N -4.93 -0.40 0.14 0.00 -1.04 -0.24 0.12 114.28 107.94 1ug7 n THR 75 Ca -0.08 2.03 -0.14 0.00 -2.04 0.00 0.00 64.05 63.82 1ug7 n THR 75 Cb 0.21 -2.77 -0.06 0.00 -1.82 0.00 0.00 70.33 65.89 1ug7 n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 n LEU 77 N -5.41 -0.70 -0.32 0.00 4.77 0.33 0.16 117.00 115.83 1ug7 n LEU 77 Ca -0.07 1.42 0.19 0.00 -0.03 0.00 0.00 56.01 57.53 1ug7 n LEU 77 Cb 0.32 -0.28 0.37 0.00 -2.33 0.00 0.00 43.42 41.51 1ug7 n LEU 77 CO 0.25 -1.08 0.84 -0.62 -1.33 0.00 0.00 177.39 175.45 1ug7 n GLU 78 N -4.52 -0.07 -0.00 3.23 -0.58 -0.66 0.16 120.64 118.20 1ug7 n GLU 78 Ca 0.01 1.39 -0.12 0.00 -0.42 0.00 0.00 57.16 58.02 1ug7 n GLU 78 Cb 0.17 -2.30 -0.08 0.00 -0.57 0.00 0.00 31.44 28.66 1ug7 n GLU 78 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ug7 h LEU 79 N 0.00 0.05 0.68 -4.62 4.07 0.18 -1.17 115.31 114.50 1ug7 h LEU 79 Ca 0.65 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 58.33 1ug7 h LEU 79 Cb 1.50 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 43.22 1ug7 h LEU 79 CO -0.84 0.29 -0.44 -0.09 -1.08 0.00 0.00 178.44 176.28 1ug7 h ARG 80 N -0.20 -1.02 -0.76 1.13 9.65 0.40 1.03 114.38 124.62 1ug7 h ARG 80 Ca 0.01 0.07 0.16 0.00 -1.10 0.00 0.00 59.98 59.12 1ug7 h ARG 80 Cb 0.26 0.23 -0.14 0.00 -1.39 0.00 0.00 29.97 28.93 1ug7 h ARG 80 CO 0.00 -0.68 -0.16 0.77 2.80 0.00 0.00 179.97 182.70 1ug7 h SER 81 N -1.05 -0.65 0.14 -3.80 0.02 0.26 0.14 113.55 108.60 1ug7 h SER 81 Ca -0.09 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1ug7 h SER 81 Cb 0.85 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1ug7 h SER 81 CO 0.08 -0.24 -0.07 0.00 -1.14 0.00 0.00 176.83 175.46 1ug7 h ALA 82 N 1.75 -0.19 -0.98 3.77 0.00 -0.92 -2.59 119.26 120.10 1ug7 h ALA 82 Ca 0.37 -0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.49 1ug7 h ALA 82 Cb 0.59 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.27 1ug7 h ALA 82 CO -0.77 -0.52 0.24 0.00 0.00 0.00 0.00 179.25 178.20 1ug7 h ALA 83 N 0.49 1.54 0.15 0.00 0.00 0.37 1.21 119.26 123.02 1ug7 h ALA 83 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ug7 h ALA 83 Cb 0.28 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ug7 h ALA 83 CO 0.03 -0.69 -0.12 -0.07 0.00 0.00 0.00 179.25 178.40 1ug7 h LEU 84 N 0.04 -0.32 -0.05 0.00 3.38 -0.69 -2.85 115.31 114.82 1ug7 h LEU 84 Ca 0.68 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.70 1ug7 h LEU 84 Cb 1.58 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1ug7 h LEU 84 CO -0.84 -0.19 -0.05 1.56 0.09 0.00 0.00 178.44 179.01 1ug7 h GLN 85 N -0.29 -0.06 -6.71 1.13 4.20 0.14 -3.41 115.11 110.12 1ug7 h GLN 85 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1ug7 h GLN 85 Cb 0.26 0.01 0.22 0.00 0.30 0.00 0.00 27.48 28.27 1ug7 h GLN 85 CO -0.01 -0.04 -0.71 0.43 -0.67 0.00 0.00 178.83 177.82 1ug7 n SER 86 N -5.17 -2.46 -4.55 1.46 7.64 0.17 -4.65 113.62 106.06 1ug7 n SER 86 Ca -0.05 0.30 -0.20 0.00 1.01 0.00 0.00 58.87 59.93 1ug7 n SER 86 Cb 0.10 -1.16 -0.08 0.00 -1.01 0.00 0.00 64.21 62.06 1ug7 n SER 86 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ug7 n THR 87 N -3.53 -0.02 0.00 0.44 -1.04 -1.26 -4.21 114.28 104.66 1ug7 n THR 87 Ca 0.06 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1ug7 n THR 87 Cb 0.54 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 1ug7 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ug7 n GLN 88 N 8.51 0.00 -2.71 -2.82 6.02 -1.26 -3.73 117.38 121.39 1ug7 n GLN 88 Ca 0.48 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1ug7 n GLN 88 Cb 0.41 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.69 1ug7 n GLN 88 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ug7 s SER 89 N -2.17 -0.25 0.00 1.08 0.01 -1.26 -4.47 113.70 106.64 1ug7 s SER 89 Ca 0.00 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1ug7 s SER 89 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1ug7 s SER 89 CO 0.00 -0.02 0.00 0.00 0.41 0.00 0.00 173.24 173.63 1ug7 n GLN 90 N 3.21 0.00 -2.59 12.44 1.13 -1.24 -4.72 117.38 125.61 1ug7 n GLN 90 Ca 0.08 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.13 1ug7 n GLN 90 Cb 0.64 -0.43 0.07 0.00 0.11 0.00 0.00 30.24 30.63 1ug7 n GLN 90 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1ug7 n GLU 91 N 0.00 1.39 0.00 -1.09 4.07 -1.26 -5.10 120.64 118.65 1ug7 n GLU 91 Ca 0.00 -2.46 0.00 0.00 -0.06 0.00 0.00 57.16 54.64 1ug7 n GLU 91 Cb 0.00 -0.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 1ug7 n GLU 91 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ug7 n GLU 92 N -0.83 3.21 -3.25 5.31 4.71 -1.26 -5.08 120.64 123.45 1ug7 n GLU 92 Ca -0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.79 1ug7 n GLU 92 Cb 0.85 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 31.22 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 3.99 3.39 0.00 -0.32 5.36 -1.26 -5.03 117.98 124.11 1ug7 s PHE 93 Ca 0.00 1.07 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 1ug7 s PHE 93 Cb 0.00 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 1ug7 s PHE 93 CO 0.00 0.16 0.00 0.36 -1.46 0.00 0.00 175.22 174.28 1ug7 n LYS 94 N -0.30 1.62 -0.07 10.12 2.85 -1.26 -4.59 118.16 126.53 1ug7 n LYS 94 Ca 0.02 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 1ug7 n LYS 94 Cb 0.53 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.80 1ug7 n LYS 94 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1ug7 h LEU 95 N 0.00 0.00 -0.64 -5.58 3.38 -1.98 -2.70 115.31 107.79 1ug7 h LEU 95 Ca 0.00 -0.80 0.12 0.00 0.09 0.00 0.00 57.88 57.28 1ug7 h LEU 95 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1ug7 h LEU 95 CO 0.00 0.97 0.19 1.05 0.09 0.00 0.00 178.44 180.73 1ug7 h GLU 96 N -1.00 0.32 -0.03 1.13 4.11 -1.97 1.25 114.58 118.38 1ug7 h GLU 96 Ca -0.03 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 1ug7 h GLU 96 Cb 0.88 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1ug7 h GLU 96 CO -0.02 0.21 -0.28 -0.44 0.07 0.00 0.00 179.01 178.55 1ug7 h ASP 97 N 0.33 0.05 0.16 3.06 3.32 -1.98 -0.52 116.42 120.85 1ug7 h ASP 97 Ca 0.34 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1ug7 h ASP 97 Cb 0.49 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ug7 h ASP 97 CO -0.39 0.33 -0.08 0.25 -1.72 0.00 0.00 179.24 177.64 1ug7 h LEU 98 N 0.05 -0.18 -1.91 1.55 5.85 0.12 -3.04 115.31 117.74 1ug7 h LEU 98 Ca 0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1ug7 h LEU 98 Cb 0.52 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1ug7 h LEU 98 CO 0.04 0.38 0.06 0.50 -0.34 0.00 0.00 178.44 179.08 1ug7 h LYS 99 N -0.91 0.00 0.00 1.25 1.63 0.14 0.46 116.57 119.14 1ug7 h LYS 99 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1ug7 h LYS 99 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1ug7 h LYS 99 CO 0.04 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.67 1ug7 n LYS 100 N -2.55 0.10 0.00 1.90 5.02 -0.21 -0.91 118.16 121.51 1ug7 n LYS 100 Ca -0.02 0.20 0.10 0.00 -2.02 0.00 0.00 58.31 56.58 1ug7 n LYS 100 Cb 0.11 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.40 1.05 0.00 -0.35 4.77 0.16 -4.05 117.00 117.19 1ug7 n LEU 101 Ca 0.05 -0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 55.44 1ug7 n LEU 101 Cb 0.15 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1ug7 n LEU 101 CO 0.12 0.25 0.89 -0.08 -1.33 0.00 0.00 177.39 177.25 1ug7 h GLU 102 N 0.22 0.08 -0.03 3.23 4.22 -1.12 0.17 114.58 121.35 1ug7 h GLU 102 Ca 0.00 -0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.23 1ug7 h GLU 102 Cb 0.52 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ug7 h GLU 102 CO 0.00 0.05 -0.84 -1.00 -2.18 0.00 0.00 179.01 175.04 1ug7 h PRO 103 N 0.08 0.35 -0.10 0.92 0.13 -1.75 -2.00 132.00 129.63 1ug7 h PRO 103 Ca 0.04 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1ug7 h PRO 103 Cb 0.02 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 1ug7 h PRO 103 CO -0.04 1.01 0.06 0.82 -0.23 0.00 0.00 178.00 179.62 1ug7 h ILE 104 N 0.21 1.01 -0.31 -3.56 2.04 -1.64 1.39 117.51 116.65 1ug7 h ILE 104 Ca -0.05 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 1ug7 h ILE 104 Cb 1.45 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1ug7 h ILE 104 CO 0.14 0.02 -0.16 -0.07 0.00 0.00 0.00 178.15 178.08 1ug7 h LEU 105 N 0.12 0.54 0.43 1.44 3.38 -0.70 0.76 115.31 121.28 1ug7 h LEU 105 Ca 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1ug7 h LEU 105 Cb -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1ug7 h LEU 105 CO -0.02 0.72 -0.20 0.11 0.09 0.00 0.00 178.44 179.14 1ug7 h LYS 106 N 0.50 -0.55 -1.06 1.13 1.79 -0.59 -3.08 116.57 114.71 1ug7 h LYS 106 Ca 0.08 0.04 -0.34 0.00 -2.18 0.00 0.00 60.65 58.25 1ug7 h LYS 106 Cb 0.57 0.13 -0.19 0.00 -1.58 0.00 0.00 32.23 31.15 1ug7 h LYS 106 CO 0.04 -0.25 0.44 0.09 -1.08 0.00 0.00 179.45 178.69 1ug7 n ASN 107 N -5.19 4.00 -0.31 0.86 3.02 0.47 -4.48 115.26 113.62 1ug7 n ASN 107 Ca -0.10 -3.05 0.30 0.00 -0.03 0.00 0.00 54.58 51.71 1ug7 n ASN 107 Cb 0.29 -0.76 0.66 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.69 0.45 0.11 2.41 1.08 0.65 1.54 117.51 124.44 1ug7 h ILE 108 Ca 0.40 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.81 1ug7 h ILE 108 Cb 1.98 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1ug7 h ILE 108 CO 0.74 0.03 -0.05 -0.07 -0.69 0.00 0.00 178.15 178.11 1ug7 h LEU 109 N 0.15 -0.12 -4.49 1.44 3.38 -1.82 -3.32 115.31 110.52 1ug7 h LEU 109 Ca 0.57 -0.37 -0.68 0.00 0.09 0.00 0.00 57.88 57.49 1ug7 h LEU 109 Cb 1.95 0.03 -0.26 0.00 0.09 0.00 0.00 40.66 42.47 1ug7 h LEU 109 CO -0.13 0.50 0.89 1.07 0.09 0.00 0.00 178.44 180.86 1ug7 n THR 110 N -4.84 3.53 -4.17 0.22 5.66 0.15 -4.95 114.28 109.87 1ug7 n THR 110 Ca -0.06 -3.50 -0.33 0.00 -3.05 0.00 0.00 64.05 57.10 1ug7 n THR 110 Cb 0.24 -1.25 -0.08 0.00 -1.55 0.00 0.00 70.33 67.69 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 -3.59 3.23 -0.37 1.09 5.04 0.51 -4.89 117.35 118.36 1ug7 s TYR 111 Ca 0.56 0.19 -0.29 0.00 -2.44 0.00 0.00 57.07 55.09 1ug7 s TYR 111 Cb 0.45 -1.74 0.01 0.00 0.35 0.00 0.00 41.96 41.03 1ug7 s TYR 111 CO -0.23 0.53 1.21 1.21 -1.34 0.00 0.00 175.55 176.93 1ug7 s ASN 112 N -1.55 6.69 0.62 4.32 2.47 -1.26 -5.00 114.94 121.23 1ug7 s ASN 112 Ca 0.20 0.92 0.00 0.00 0.42 0.00 0.00 52.86 54.40 1ug7 s ASN 112 Cb -0.12 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1ug7 s ASN 112 CO 0.11 -1.12 0.00 0.29 -3.72 0.00 0.00 177.10 172.66 1ug7 n LYS 113 N 7.44 -0.82 0.00 0.43 4.76 -1.26 -4.02 118.16 124.68 1ug7 n LYS 113 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1ug7 n LYS 113 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1ug7 n LYS 113 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ug7 n GLU 114 N -1.22 0.00 -0.82 1.97 0.00 -1.26 -4.83 120.64 114.48 1ug7 n GLU 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ug7 n GLU 114 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 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 0.00 -2.22 -0.01 4.31 -0.00 -1.26 -4.50 117.46 113.79 1ug7 n PHE 115 Ca 0.00 1.17 -0.17 0.00 -0.00 0.00 0.00 57.45 58.46 1ug7 n PHE 115 Cb 0.00 -2.34 -0.10 0.00 -0.00 0.00 0.00 39.48 37.04 1ug7 n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ug7 h PRO 116 N 0.99 0.42 0.06 -7.13 0.13 -1.90 -3.30 132.00 121.27 1ug7 h PRO 116 Ca 0.00 -0.41 -0.24 0.00 -0.87 0.00 0.00 66.00 64.48 1ug7 h PRO 116 Cb 0.00 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 1ug7 h PRO 116 CO 0.00 1.06 -1.10 0.74 -0.23 0.00 0.00 178.00 178.47 1ug7 h PHE 117 N -0.07 0.31 -5.09 1.56 0.04 -1.99 -3.49 116.94 108.20 1ug7 h PHE 117 Ca -0.06 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1ug7 h PHE 117 Cb 1.22 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 1ug7 h PHE 117 CO 0.14 1.14 -1.03 -0.25 -0.60 0.00 0.00 178.31 177.71 1ug7 n ASP 118 N -3.50 -7.40 -3.99 2.17 9.92 -1.25 -5.03 116.55 107.48 1ug7 n ASP 118 Ca -0.05 1.42 -0.28 0.00 -0.53 0.00 0.00 54.79 55.35 1ug7 n ASP 118 Cb 0.96 -5.29 -0.17 0.00 -0.64 0.00 0.00 41.12 35.98 1ug7 n ASP 118 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ug7 s VAL 119 N -1.54 1.30 0.73 2.53 -7.23 -1.26 -5.12 120.40 109.81 1ug7 s VAL 119 Ca -0.02 -0.49 -0.16 0.00 -1.81 0.00 0.00 61.98 59.51 1ug7 s VAL 119 Cb 0.00 -1.24 -0.13 0.00 0.56 0.00 0.00 36.38 35.57 1ug7 s VAL 119 CO 0.78 0.41 -0.50 0.00 -0.31 0.00 0.00 175.10 175.48 1ug7 n GLN 120 N 4.58 0.00 -2.54 4.82 10.64 -1.26 -4.57 117.38 129.05 1ug7 n GLN 120 Ca -0.17 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.66 1ug7 n GLN 120 Cb 0.50 -0.90 -0.03 0.00 -0.86 0.00 0.00 30.24 28.95 1ug7 n GLN 120 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1ug7 s PRO 121 N -1.46 3.81 0.16 2.61 0.04 -1.26 -4.40 135.00 134.50 1ug7 s PRO 121 Ca 0.41 1.37 -0.34 0.00 0.04 0.00 0.00 61.00 62.48 1ug7 s PRO 121 Cb -0.27 -2.10 -0.15 0.00 0.04 0.00 0.00 34.50 32.02 1ug7 s PRO 121 CO 0.69 -0.43 1.45 1.51 0.04 0.00 0.00 177.00 180.26 1ug7 n ILE 122 N -0.94 0.30 -1.33 0.56 0.13 -1.25 -4.54 119.36 112.29 1ug7 n ILE 122 Ca 0.09 -0.07 0.01 0.00 -1.10 0.00 0.00 62.75 61.67 1ug7 n ILE 122 Cb 0.52 -1.29 -0.00 0.00 -0.84 0.00 0.00 39.64 38.03 1ug7 n ILE 122 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1ug7 n SER 123 N 2.79 -7.16 0.00 9.51 7.64 -1.26 -4.94 113.62 120.20 1ug7 n SER 123 Ca 0.16 1.58 0.00 0.00 1.01 0.00 0.00 58.87 61.62 1ug7 n SER 123 Cb 0.27 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 1ug7 n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug7 n GLY 124 N -2.52 1.11 0.18 0.23 0.00 -1.26 -4.96 105.19 97.97 1ug7 n GLY 124 Ca -0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 1ug7 n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug7 h PRO 125 N 0.00 0.52 -6.50 1.61 0.13 -1.97 -3.49 132.00 122.30 1ug7 h PRO 125 Ca 0.00 -0.50 -0.28 0.00 -0.87 0.00 0.00 66.00 64.34 1ug7 h PRO 125 Cb 0.00 0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.27 1ug7 h PRO 125 CO 0.00 1.14 -1.16 0.45 -0.23 0.00 0.00 178.00 178.20 1ug7 n SER 126 N -3.81 -5.80 -1.19 1.44 2.88 -1.26 -4.58 113.62 101.29 1ug7 n SER 126 Ca -0.07 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.61 1ug7 n SER 126 Cb 0.80 -1.65 -0.05 0.00 -0.75 0.00 0.00 64.21 62.56 1ug7 n SER 126 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug7 n SER 127 N 0.23 -6.39 0.00 -3.46 7.64 -1.26 -5.26 113.62 105.12 1ug7 n SER 127 Ca -0.06 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1ug7 n SER 127 Cb 0.63 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 60.03 1ug7 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64